DOI: 10.1021/ic049005d. Rational Design and Crystal Structure Determination of a 3-D Metal−Organic Jungle-Gym-like Open Framework

Rational Design and Crystal Structure Determination of a 3-D Metal−Organic Jungle-Gym-like Open Framework

10.1021/ic049005d

Crossref journal-article

American Chemical Society (ACS)

Inorganic Chemistry (316)

Bibliography

Kitaura, R., Iwahori, F., Matsuda, R., Kitagawa, S., Kubota, Y., Takata, M., & Kobayashi, T. C. (2004). Rational Design and Crystal Structure Determination of a 3-D MetalâOrganic Jungle-Gym-like Open Framework. Inorganic Chemistry, 43(21), 6522â6524.

Authors 7

Ryo Kitaura (first)
Fumiyasu Iwahori (additional)
Ryotaro Matsuda (additional)
Susumu Kitagawa (additional)
Yoshiki Kubota (additional)
Masaki Takata (additional)
Tatsuo C. Kobayashi (additional)

References 23 Referenced 203

10.1002/anie.200300610 / Angew. Chem., Int. Ed. by Kitagawa S. (2004)
10.1021/ar000034b / Acc. Chem. Res. by Eddaoudi M. (2001)
10.1021/cr9900432 / J. Chem. Rev. by Moulton B. (2001)
10.1002/(SICI)1521-3773(19991102)38:21<3165::AID-ANIE3165>3.0.CO;2-O / Angew. Chem., Int. Ed. by Hagrman D. (1999)
10.1002/anie.200390130 / Angew. Chem., Int. Ed. by Kitaura R. (2003)
10.1002/anie.200390156 / Angew. Chem., Int. Ed. by Pan L. (2003)
10.1021/cm9605227 / Chem. Mater. by Ohtsuka K. (1997)
10.1021/ic00306a016 / Inorg. Chem. by Cheng S. (1989)
10.1021/ic00342a047 / Inorg. Chem. by Anderson M. W. (1990)
10.1021/ja00302a033 / J. Am. Chem. Soc. by Pinnavaia T. J. (1985)
10.1021/ja981565m / J. Am. Chem. Soc. by Alberti G. (1998)
10.1080/02603590214512 / Comments Inorg. Chem. by Kitagawa (2002)
10.1021/ic991360u / Inorg. Chem. by Evans O. R. (2000)
10.1006/jssc.2000.8681 / J. Solid State Chem. by Lin W. (2000)
10.1021/jp0130416 / J. Phys. Chem. B by Seki K. (2002)
(b) Seki, K.Chem. Commun.2001, 1496 (10.1039/b104204c)
{'key': 'ic049005db00005/ic049005db00005_1', 'volume-title': 'M = 335.70, monoclinic, space group C2/m (No. 12), a = 15.139(4) Å, b = 15.426(9) Å, c = 10.676(1) Å, and β = 131.270(3)°, U = 1873(1) Å3, Z = 4, ρcalcd = 1.190 g·cm-3, 2θmax = 54.18°', 'author': 'Data 0.', 'year': '1962'} / M = 335.70, monoclinic, space group C2/m (No. 12), a = 15.139(4) Å, b = 15.426(9) Å, c = 10.676(1) Å, and β = 131.270(3)°, U = 1873(1) Å3, Z = 4, ρcalcd = 1.190 g·cm-3, 2θmax = 54.18° by Data 0. (1962)
10.1016/S0022-3697(01)00164-0 / J. Phys. Chem. Solids by Nishibori E. (2001)
10.1126/science.1078481 / Science by Kitaura R. (2002)
The crystal structure determination of2was carried out from synchrotron X-ray powder diffraction data. Data collection was performed using a Debye−Scherrer camera and imaging plate as a detector at SPring-8, BL02B2. The powder crystal was sealed in the glass capillary (0.4 mm inside diameter). Cell parameters were determined by indexing program DICVOL91.8A Le Bail structureless profile fitting algorithm affords refined cell parameters, peak shift parameters, and profile parameters. The peak shape was modeled by a Split−Pearson function. The structure refinement was performed by the Rietveld method with RIETAN software.9Soft constraints about bond angles and bond distances were adapted throughout the refinement. Hydrogen atoms were placed at calculated positions, and their parameters were not refined. Crystallographic data for2: C11F4H6O4Cu,M= 341.70, λ = 0.90229 Å, tetragonal, space groupP4/mmm(No. 123),a= 10.8661(1) Å,c= 9.6703(5) Å,U= 1141.79(6) Å3,Z= 2,T= 298 K, 2θmin= 2.4°, 2θmax= 50.0°, step size 0.1°, number of reflections = 337,Rwp= 0.0304,RI= 0.0375. These data are available from the Crystallographic Data Centre as supplementary publication CCDC-236931. Copies of the data can be obtained free of charge on application to CCDC, 12 Union Road, Cambridge CB21EZ, U.K. (Fax: (+44)1223-336-033. E-mail: deposit@ccdc.cam.ac.uk.)
10.1107/S0021889891006441 / J. Appl. Crystallogr. by Boultif A. (1991)
{'key': 'ic049005db00009/ic049005db00009_1', 'first-page': '321', 'volume': '198', 'author': 'Izumi F.', 'year': '2000', 'journal-title': 'Mater. Sci. Forum'} / Mater. Sci. Forum by Izumi F. (2000)
10.1021/ja0392871 / J. Am. Chem. Soc. by Pan L. (2004)

Dates

Type	When
Created	20 years, 10 months ago (Oct. 11, 2004, 12:24 a.m.)
Deposited	3 years, 11 months ago (Sept. 20, 2021, 10:46 p.m.)
Indexed	2 months, 1 week ago (June 18, 2025, 4:06 a.m.)
Issued	20 years, 11 months ago (Sept. 21, 2004)
Published	20 years, 11 months ago (Sept. 21, 2004)
Published Online	20 years, 11 months ago (Sept. 21, 2004)
Published Print	20 years, 10 months ago (Oct. 1, 2004)

Funders 0

None

BibTeX

@article{Kitaura_2004, title={Rational Design and Crystal Structure Determination of a 3-D Metal−Organic Jungle-Gym-like Open Framework}, volume={43}, ISSN={1520-510X}, url={http://dx.doi.org/10.1021/ic049005d}, DOI={10.1021/ic049005d}, number={21}, journal={Inorganic Chemistry}, publisher={American Chemical Society (ACS)}, author={Kitaura, Ryo and Iwahori, Fumiyasu and Matsuda, Ryotaro and Kitagawa, Susumu and Kubota, Yoshiki and Takata, Masaki and Kobayashi, Tatsuo C.}, year={2004}, month=sep, pages={6522–6524} }

JSON

{
  "indexed": {
    "date-parts": [
      [
        2025,
        6,
        18
      ]
    ],
    "date-time": "2025-06-18T08:06:06Z",
    "timestamp": 1750233966670
  },
  "reference-count": 23,
  "publisher": "American Chemical Society (ACS)",
  "issue": "21",
  "content-domain": {
    "domain": [],
    "crossmark-restriction": false
  },
  "published-print": {
    "date-parts": [
      [
        2004,
        10,
        1
      ]
    ]
  },
  "DOI": "10.1021/ic049005d",
  "type": "journal-article",
  "created": {
    "date-parts": [
      [
        2004,
        10,
        11
      ]
    ],
    "date-time": "2004-10-11T04:24:00Z",
    "timestamp": 1097468640000
  },
  "page": "6522-6524",
  "source": "Crossref",
  "is-referenced-by-count": 203,
  "title": "Rational Design and Crystal Structure Determination of a 3-D Metal\u2212Organic Jungle-Gym-like Open Framework",
  "prefix": "10.1021",
  "volume": "43",
  "author": [
    {
      "given": "Ryo",
      "family": "Kitaura",
      "sequence": "first",
      "affiliation": [
        {
          "name": "Department of Synthetic Chemistry and Biological Chemistry, Graduate School of Engineering, Kyoto University, Katsura, Nisikyo-ku, Kyoto 615-8510, Japan, Department of Chemistry, School of Science and Engineering, Aoyama-Gakuin University, 5-10-1 Fuchinobe, Sagamihara, Kanagawa 229-8558, Japan, Department of Natural Science, Osaka Women's University, Sakai, Osaka 590-0035, Japan, Japan Synchrotron Radiation Research Institute, Kouto, Mikazuki, Sayo, Hyogo 679-5198, Japan, and Department of Physics,..."
        }
      ]
    },
    {
      "given": "Fumiyasu",
      "family": "Iwahori",
      "sequence": "additional",
      "affiliation": [
        {
          "name": "Department of Synthetic Chemistry and Biological Chemistry, Graduate School of Engineering, Kyoto University, Katsura, Nisikyo-ku, Kyoto 615-8510, Japan, Department of Chemistry, School of Science and Engineering, Aoyama-Gakuin University, 5-10-1 Fuchinobe, Sagamihara, Kanagawa 229-8558, Japan, Department of Natural Science, Osaka Women's University, Sakai, Osaka 590-0035, Japan, Japan Synchrotron Radiation Research Institute, Kouto, Mikazuki, Sayo, Hyogo 679-5198, Japan, and Department of Physics,..."
        }
      ]
    },
    {
      "given": "Ryotaro",
      "family": "Matsuda",
      "sequence": "additional",
      "affiliation": [
        {
          "name": "Department of Synthetic Chemistry and Biological Chemistry, Graduate School of Engineering, Kyoto University, Katsura, Nisikyo-ku, Kyoto 615-8510, Japan, Department of Chemistry, School of Science and Engineering, Aoyama-Gakuin University, 5-10-1 Fuchinobe, Sagamihara, Kanagawa 229-8558, Japan, Department of Natural Science, Osaka Women's University, Sakai, Osaka 590-0035, Japan, Japan Synchrotron Radiation Research Institute, Kouto, Mikazuki, Sayo, Hyogo 679-5198, Japan, and Department of Physics,..."
        }
      ]
    },
    {
      "given": "Susumu",
      "family": "Kitagawa",
      "sequence": "additional",
      "affiliation": [
        {
          "name": "Department of Synthetic Chemistry and Biological Chemistry, Graduate School of Engineering, Kyoto University, Katsura, Nisikyo-ku, Kyoto 615-8510, Japan, Department of Chemistry, School of Science and Engineering, Aoyama-Gakuin University, 5-10-1 Fuchinobe, Sagamihara, Kanagawa 229-8558, Japan, Department of Natural Science, Osaka Women's University, Sakai, Osaka 590-0035, Japan, Japan Synchrotron Radiation Research Institute, Kouto, Mikazuki, Sayo, Hyogo 679-5198, Japan, and Department of Physics,..."
        }
      ]
    },
    {
      "given": "Yoshiki",
      "family": "Kubota",
      "sequence": "additional",
      "affiliation": [
        {
          "name": "Department of Synthetic Chemistry and Biological Chemistry, Graduate School of Engineering, Kyoto University, Katsura, Nisikyo-ku, Kyoto 615-8510, Japan, Department of Chemistry, School of Science and Engineering, Aoyama-Gakuin University, 5-10-1 Fuchinobe, Sagamihara, Kanagawa 229-8558, Japan, Department of Natural Science, Osaka Women's University, Sakai, Osaka 590-0035, Japan, Japan Synchrotron Radiation Research Institute, Kouto, Mikazuki, Sayo, Hyogo 679-5198, Japan, and Department of Physics,..."
        }
      ]
    },
    {
      "given": "Masaki",
      "family": "Takata",
      "sequence": "additional",
      "affiliation": [
        {
          "name": "Department of Synthetic Chemistry and Biological Chemistry, Graduate School of Engineering, Kyoto University, Katsura, Nisikyo-ku, Kyoto 615-8510, Japan, Department of Chemistry, School of Science and Engineering, Aoyama-Gakuin University, 5-10-1 Fuchinobe, Sagamihara, Kanagawa 229-8558, Japan, Department of Natural Science, Osaka Women's University, Sakai, Osaka 590-0035, Japan, Japan Synchrotron Radiation Research Institute, Kouto, Mikazuki, Sayo, Hyogo 679-5198, Japan, and Department of Physics,..."
        }
      ]
    },
    {
      "given": "Tatsuo C.",
      "family": "Kobayashi",
      "sequence": "additional",
      "affiliation": [
        {
          "name": "Department of Synthetic Chemistry and Biological Chemistry, Graduate School of Engineering, Kyoto University, Katsura, Nisikyo-ku, Kyoto 615-8510, Japan, Department of Chemistry, School of Science and Engineering, Aoyama-Gakuin University, 5-10-1 Fuchinobe, Sagamihara, Kanagawa 229-8558, Japan, Department of Natural Science, Osaka Women's University, Sakai, Osaka 590-0035, Japan, Japan Synchrotron Radiation Research Institute, Kouto, Mikazuki, Sayo, Hyogo 679-5198, Japan, and Department of Physics,..."
        }
      ]
    }
  ],
  "member": "316",
  "published-online": {
    "date-parts": [
      [
        2004,
        9,
        21
      ]
    ]
  },
  "reference": [
    {
      "key": "ic049005db00001/ic049005db00001_1",
      "doi-asserted-by": "crossref",
      "first-page": "2334",
      "DOI": "10.1002/anie.200300610",
      "volume": "43",
      "author": "Kitagawa S.",
      "year": "2004",
      "journal-title": "Angew. Chem., Int. Ed."
    },
    {
      "key": "ic049005db00001/ic049005db00001_2",
      "doi-asserted-by": "crossref",
      "first-page": "319",
      "DOI": "10.1021/ar000034b",
      "volume": "34",
      "author": "Eddaoudi M.",
      "year": "2001",
      "journal-title": "Acc. Chem. Res."
    },
    {
      "key": "ic049005db00001/ic049005db00001_3",
      "doi-asserted-by": "crossref",
      "first-page": "1629",
      "DOI": "10.1021/cr9900432",
      "volume": "101",
      "author": "Moulton B.",
      "year": "2001",
      "journal-title": "J. Chem. Rev."
    },
    {
      "key": "ic049005db00001/ic049005db00001_4",
      "doi-asserted-by": "crossref",
      "first-page": "3165",
      "DOI": "10.1002/(SICI)1521-3773(19991102)38:21<3165::AID-ANIE3165>3.0.CO;2-O",
      "volume": "38",
      "author": "Hagrman D.",
      "year": "1999",
      "journal-title": "Angew. Chem., Int. Ed."
    },
    {
      "key": "ic049005db00001/ic049005db00001_5",
      "doi-asserted-by": "crossref",
      "first-page": "428",
      "DOI": "10.1002/anie.200390130",
      "author": "Kitaura R.",
      "year": "2003",
      "journal-title": "Angew. Chem., Int. Ed."
    },
    {
      "key": "ic049005db00001/ic049005db00001_6",
      "doi-asserted-by": "crossref",
      "first-page": "542",
      "DOI": "10.1002/anie.200390156",
      "author": "Pan L.",
      "year": "2003",
      "journal-title": "Angew. Chem., Int. Ed."
    },
    {
      "key": "ic049005db00002/ic049005db00002_1",
      "doi-asserted-by": "crossref",
      "first-page": "2039",
      "DOI": "10.1021/cm9605227",
      "volume": "9",
      "author": "Ohtsuka K.",
      "year": "1997",
      "journal-title": "Chem. Mater."
    },
    {
      "key": "ic049005db00002/ic049005db00002_2",
      "doi-asserted-by": "crossref",
      "first-page": "1283",
      "DOI": "10.1021/ic00306a016",
      "volume": "28",
      "author": "Cheng S.",
      "year": "1989",
      "journal-title": "Inorg. Chem."
    },
    {
      "key": "ic049005db00002/ic049005db00002_3",
      "doi-asserted-by": "crossref",
      "first-page": "3260",
      "DOI": "10.1021/ic00342a047",
      "volume": "29",
      "author": "Anderson M. W.",
      "year": "1990",
      "journal-title": "Inorg. Chem."
    },
    {
      "key": "ic049005db00002/ic049005db00002_4",
      "doi-asserted-by": "crossref",
      "first-page": "4783",
      "DOI": "10.1021/ja00302a033",
      "volume": "107",
      "author": "Pinnavaia T. J.",
      "year": "1985",
      "journal-title": "J. Am. Chem. Soc."
    },
    {
      "key": "ic049005db00003/ic049005db00003_1",
      "doi-asserted-by": "crossref",
      "first-page": "9291S",
      "DOI": "10.1021/ja981565m",
      "volume": "120",
      "author": "Alberti G.",
      "year": "1998",
      "journal-title": "J. Am. Chem. Soc."
    },
    {
      "key": "ic049005db00003/ic049005db00003_2",
      "doi-asserted-by": "crossref",
      "first-page": "101",
      "DOI": "10.1080/02603590214512",
      "volume": "23",
      "author": "Kitagawa",
      "year": "2002",
      "journal-title": "Comments Inorg. Chem."
    },
    {
      "key": "ic049005db00003/ic049005db00003_3",
      "doi-asserted-by": "crossref",
      "first-page": "2189",
      "DOI": "10.1021/ic991360u",
      "volume": "39",
      "author": "Evans O. R.",
      "year": "2000",
      "journal-title": "Inorg. Chem."
    },
    {
      "key": "ic049005db00003/ic049005db00003_4",
      "doi-asserted-by": "crossref",
      "first-page": "152",
      "DOI": "10.1006/jssc.2000.8681",
      "volume": "152",
      "author": "Lin W.",
      "year": "2000",
      "journal-title": "J. Solid State Chem."
    },
    {
      "key": "ic049005db00004/ic049005db00004_1",
      "doi-asserted-by": "crossref",
      "first-page": "1380",
      "DOI": "10.1021/jp0130416",
      "volume": "106",
      "author": "Seki K.",
      "year": "2002",
      "journal-title": "J. Phys. Chem. B"
    },
    {
      "key": "ic049005db00004/ic049005db00004_2",
      "doi-asserted-by": "crossref",
      "unstructured": "(b) Seki, K.Chem. Commun.2001, 1496",
      "DOI": "10.1039/b104204c"
    },
    {
      "key": "ic049005db00005/ic049005db00005_1",
      "volume-title": "M = 335.70, monoclinic, space group C2/m (No. 12), a = 15.139(4) \u00c5, b = 15.426(9) \u00c5, c = 10.676(1) \u00c5, and \u03b2 = 131.270(3)\u00b0, U = 1873(1) \u00c53, Z = 4, \u03c1calcd = 1.190 g\u00b7cm-3, 2\u03b8max = 54.18\u00b0",
      "author": "Data 0.",
      "year": "1962"
    },
    {
      "key": "ic049005db00006/ic049005db00006_1",
      "doi-asserted-by": "crossref",
      "first-page": "2095",
      "DOI": "10.1016/S0022-3697(01)00164-0",
      "volume": "62",
      "author": "Nishibori E.",
      "year": "2001",
      "journal-title": "J. Phys. Chem. Solids"
    },
    {
      "key": "ic049005db00006/ic049005db00006_2",
      "doi-asserted-by": "crossref",
      "first-page": "2361",
      "DOI": "10.1126/science.1078481",
      "volume": "298",
      "author": "Kitaura R.",
      "year": "2002",
      "journal-title": "Science"
    },
    {
      "key": "ic049005db00007/ic049005db00007_1",
      "unstructured": "The crystal structure determination of2was carried out from synchrotron X-ray powder diffraction data. Data collection was performed using a Debye\u2212Scherrer camera and imaging plate as a detector at SPring-8, BL02B2. The powder crystal was sealed in the glass capillary (0.4 mm inside diameter). Cell parameters were determined by indexing program DICVOL91.8A Le Bail structureless profile fitting algorithm affords refined cell parameters, peak shift parameters, and profile parameters. The peak shape was modeled by a Split\u2212Pearson function. The structure refinement was performed by the Rietveld method with RIETAN software.9Soft constraints about bond angles and bond distances were adapted throughout the refinement. Hydrogen atoms were placed at calculated positions, and their parameters were not refined. Crystallographic data for2:\u2009 C11F4H6O4Cu,M= 341.70, \u03bb = 0.90229 \u00c5, tetragonal, space groupP4/mmm(No. 123),a= 10.8661(1) \u00c5,c= 9.6703(5) \u00c5,U= 1141.79(6) \u00c53,Z= 2,T= 298 K, 2\u03b8min= 2.4\u00b0, 2\u03b8max= 50.0\u00b0, step size 0.1\u00b0, number of reflections = 337,Rwp= 0.0304,RI= 0.0375. These data are available from the Crystallographic Data Centre as supplementary publication CCDC-236931. Copies of the data can be obtained free of charge on application to CCDC, 12 Union Road, Cambridge CB21EZ, U.K. (Fax:\u2009 (+44)1223-336-033. E-mail:\u2009 deposit@ccdc.cam.ac.uk.)"
    },
    {
      "key": "ic049005db00008/ic049005db00008_1",
      "doi-asserted-by": "crossref",
      "first-page": "987",
      "DOI": "10.1107/S0021889891006441",
      "volume": "24",
      "author": "Boultif A.",
      "year": "1991",
      "journal-title": "J. Appl. Crystallogr."
    },
    {
      "key": "ic049005db00009/ic049005db00009_1",
      "first-page": "321",
      "volume": "198",
      "author": "Izumi F.",
      "year": "2000",
      "journal-title": "Mater. Sci. Forum"
    },
    {
      "key": "ic049005db00011/ic049005db00011_1",
      "doi-asserted-by": "crossref",
      "first-page": "1308",
      "DOI": "10.1021/ja0392871",
      "volume": "126",
      "author": "Pan L.",
      "year": "2004",
      "journal-title": "J. Am. Chem. Soc."
    }
  ],
  "container-title": "Inorganic Chemistry",
  "original-title": [],
  "language": "en",
  "link": [
    {
      "URL": "https://pubs.acs.org/doi/pdf/10.1021/ic049005d",
      "content-type": "unspecified",
      "content-version": "vor",
      "intended-application": "similarity-checking"
    }
  ],
  "deposited": {
    "date-parts": [
      [
        2021,
        9,
        21
      ]
    ],
    "date-time": "2021-09-21T02:46:30Z",
    "timestamp": 1632192390000
  },
  "score": 1,
  "resource": {
    "primary": {
      "URL": "https://pubs.acs.org/doi/10.1021/ic049005d"
    }
  },
  "subtitle": [],
  "short-title": [],
  "issued": {
    "date-parts": [
      [
        2004,
        9,
        21
      ]
    ]
  },
  "references-count": 23,
  "journal-issue": {
    "issue": "21",
    "published-print": {
      "date-parts": [
        [
          2004,
          10,
          1
        ]
      ]
    }
  },
  "alternative-id": [
    "10.1021/ic049005d"
  ],
  "URL": "http://dx.doi.org/10.1021/ic049005d",
  "relation": {},
  "ISSN": [
    "0020-1669",
    "1520-510X"
  ],
  "subject": [],
  "container-title-short": "Inorg. Chem.",
  "published": {
    "date-parts": [
      [
        2004,
        9,
        21
      ]
    ]
  }
}