Crystallography Open Database

Information card for entry 4305906

Preview

Coordinates	4305906.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C90 H155 Br8 Er4 N51 O66
Calculated formula	C90 H89 Br8.02 Er4 N51 O66
Title of publication	Sandwich-Type Tetranuclear Lanthanide Complexes with Cucurbit[6]uril: From Molecular Compounds to Coordination Polymers
Authors of publication	Olga A. Gerasko; Ekaterina A. Mainicheva; Marina I. Naumova; Marco Neumaier; Manfred M. Kappes; Sergey Lebedkin; Dieter Fenske; Vladimir P. Fedin
Journal of publication	Inorganic Chemistry
Year of publication	2008
Journal volume	47
Pages of publication	8869 - 8880
a	45.675 ± 0.007 Å
b	45.675 ± 0.007 Å
c	14.291 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	29814 ± 9 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	122
Hermann-Mauguin space group symbol	I -4 2 d
Hall space group symbol	I -4 2bw
Residual factor for all reflections	0.0459
Residual factor for significantly intense reflections	0.0377
Weighted residual factors for significantly intense reflections	0.0798
Weighted residual factors for all reflections included in the refinement	0.0823
Goodness-of-fit parameter for all reflections included in the refinement	1.059
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179097 (current)	2016-03-23	cif/4/30/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/30/59.	4305906.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4305906.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4305906.cif
1167	2010-05-13	cif/ Adding data from the rest of 2009 RSC journals, Inorg-Chem-2008 and Chem-Comm-2010_18-19.	4305906.cif