DOI: 10.1002/ange.200461707. Metal–Organic Rotaxane Frameworks: Three‐Dimensional Polyrotaxanes from Lanthanide‐Ion Nodes, Pyridinium <i>N</i>‐Oxide Axles, and Crown‐Ether Wheels

Metal–Organic Rotaxane Frameworks: Three‐Dimensional Polyrotaxanes from Lanthanide‐Ion Nodes, Pyridinium N‐Oxide Axles, and Crown‐Ether Wheels

10.1002/ange.200461707

Crossref journal-article

Wiley

Angewandte Chemie (311)

Bibliography

Hoffart, D. J., & Loeb, S. J. (2005). MetalâOrganic Rotaxane Frameworks: ThreeâDimensional Polyrotaxanes from LanthanideâIon Nodes, Pyridinium NâOxide Axles, and CrownâEther Wheels. Angewandte Chemie, 117(6), 923â926. Portico.

Authors 2

Dennis J. Hoffart (first)
Stephen J. Loeb (additional)

References 35 Referenced 48

10.1021/ar010084w
10.1021/ar000178q
10.1021/ar0001766
10.1021/ar000180h
10.1002/1521-3757(20001002)112:19<3484::AID-ANGE3484>3.0.CO;2-O
10.1002/1521-3773(20001002)39:19<3348::AID-ANIE3348>3.0.CO;2-X
10.1021/ar000170g
10.1038/35023107
10.1002/anie.200300636
10.1002/(SICI)1521-3757(19981016)110:20<3010::AID-ANGE3010>3.0.CO;2-Q
10.1002/(SICI)1521-3773(19981102)37:20<2838::AID-ANIE2838>3.0.CO;2-E
10.1039/a807449f
10.1002/ange.200390027
10.1002/anie.200390057
10.1039/b007127g
10.1002/1521-3757(20020215)114:4<603::AID-ANGE603>3.0.CO;2-U
10.1002/1521-3773(20020215)41:4<583::AID-ANIE583>3.0.CO;2-I
10.1515/znb-1984-0113
This value compares well to that of the precursor bis(pyridine) axle which in MeCN hasKa≈900 M−1with DB24C8.
10.1002/1521-3757(20000804)112:15<2811::AID-ANGE2811>3.0.CO;2-9
10.1002/1521-3773(20000804)39:15<2699::AID-ANIE2699>3.0.CO;2-Z
10.1002/1521-3765(20020118)8:2<498::AID-CHEM498>3.0.CO;2-M
10.1002/1521-3765(20020503)8:9<2026::AID-CHEM2026>3.0.CO;2-8
Crystal data[16]for3: C152H163.75Cl0.5F25.5N14.75O64S8.5Sm Mr=4147.7 orange prisms (0.36×0.34×0.26 mm) triclinic P$\bar 1$ a=17.5661(13) b=23.4327(13) c=27.0910(17) Å α=78.0860(10) β=80.5090(10) γ=74.0460(10)° V=10 421.2(12) Å3 Z=2 ρcalcd=1.322 g cm−3 μ=0.476 mm−1 min/max trans.=0.8888 2θmax=45.0° MoKαλ=0.71073 Å T=100.0(2) K 66 987 total reflections (R(int)=0.0483) R1=0.1248 wR2=0.3293 [I>2σI] R1=0.1421 wR2=0.3522 [all data] GoF (F2)=1.579 No/Nv/Nr=27 216/3064/376. Data for analogous compounds4(Eu) 5(Gd) and6(Tb) were not of sufficient quality to render a full structure solution but unit cells and partial solutions verified that these are isomorphous with3. 7: C160H175.5ClF24N19O59.5S8Yb Mr=4237.7 yellow prisms 0.24×0.20×0.18 mm) triclinic P$\bar 1$ a=20.495(3) b=22.701(3) c=27.435(3) Å α=84.146(3) β=78.935(3) γ=67.636(3)° V=11 579(3) Å3 Z=2 ρcalcd=1.215 g cm−3 μ=0.579 mm−1 min/max trans.=0.7412 2θmax=50.0° MoKαλ=0.71073 Å T=100.0(2) K 40 594 total reflections (R(int)=0.0980) R1=0.1417 wR2=0.3729 [I>2σI] R1=0.1841 wR2=0.4003 [all data] GoF (F2)=1.438 No/Nv/Nr=40 594/2444/294. The presence of chloride ion in these structures is attributed to small amounts of this anion in the bulk sample of axle12+since during work up12+is subjected to column chromatography in which one of the solvents is aqueous NH4Cl before anion exchange to OTf. Crystals of3–7were frozen in paratone oil inside a cryoloop. Reflection data were integrated from frame data obtained from hemisphere scans on a Brüker APEX diffractometer with CCD detector. Decay was monitored by 50 standard data frames measured at the beginning and end of data collection. Diffraction data and unit‐cell parameters were consistent with assigned space groups. Lorentzian polarization corrections and empirical absorption corrections based on redundant data at varying effective azimuthal angles were applied to the data sets. The structures were solved by direct methods completed by subsequent Fourier syntheses and refined with conjugate‐gradient least‐squares methods against |F2| data. For both compounds a chloride anion was located and refined instead of one of the triflate anions. All non‐hydrogen atoms were refined anisotropically. Hydrogen atoms were treated as idealized contributions. Scattering factors and anomalous dispersion coefficients are contained in the SHELXTL 5.03 program library (G. M. Sheldrick Madison WI). CCDC‐247756 and CCDC‐247757 (3and7) contain the supplementary crystallographic data for this paper. These data can be obtained free of charge from The Cambridge Crystallographic Data Centre via www.ccdc.cam.ac.uk/data_request/cif.
{'key': 'e_1_2_2_25_2', 'volume-title': 'Three‐Dimensional Nets and Polyhedra', 'author': 'Wells A. F.', 'year': '1977'} / Three‐Dimensional Nets and Polyhedra by Wells A. F. (1977)
10.1021/ic034772i
10.1021/ic010605b
TGA were performed on a Mettler Toledo TGA/SDTA85 Instrument under He(g) atmosphere at scan rate of 5 °C/min. PXRD measurements were recorded on a Brüker D8 Discover diffractometer with an AXS HI‐STAR area detector using CuKαradiation.
Ball‐and‐stick and space‐filling diagrams were prepared using DIAMOND‐Visual Crystal Structure Information System CRYSTAL IMPACT Postfach 1251 53002 Bonn.

Dates

Type	When
Created	20 years, 7 months ago (Dec. 30, 2004, 7:51 p.m.)
Deposited	1 year, 10 months ago (Oct. 11, 2023, 3:20 a.m.)
Indexed	1 year, 10 months ago (Oct. 17, 2023, 5:35 p.m.)
Issued	20 years, 6 months ago (Jan. 25, 2005)
Published	20 years, 6 months ago (Jan. 25, 2005)
Published Online	20 years, 6 months ago (Jan. 25, 2005)
Published Print	20 years, 6 months ago (Jan. 28, 2005)

Funders 0

None

BibTeX

@article{Hoffart_2005, title={Metal–Organic Rotaxane Frameworks: Three‐Dimensional Polyrotaxanes from Lanthanide‐Ion Nodes, Pyridinium N‐Oxide Axles, and Crown‐Ether Wheels}, volume={117}, ISSN={1521-3757}, url={http://dx.doi.org/10.1002/ange.200461707}, DOI={10.1002/ange.200461707}, number={6}, journal={Angewandte Chemie}, publisher={Wiley}, author={Hoffart, Dennis J. and Loeb, Stephen J.}, year={2005}, month=jan, pages={923–926} }

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