Crystallography Open Database

Information card for entry 4305905

Preview

Coordinates	4305905.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C90 H157 Br6 Ho4 N51 O68
Calculated formula	C90 H89 Br6 Ho4 N51 O68
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	45.701 ± 0.007 Å
b	45.701 ± 0.007 Å
c	14.309 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	29886 ± 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	0.071
Residual factor for significantly intense reflections	0.0567
Weighted residual factors for significantly intense reflections	0.1348
Weighted residual factors for all reflections included in the refinement	0.14
Goodness-of-fit parameter for all reflections included in the refinement	1.069
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
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.	4305905.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4305905.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4305905.cif
1167	2010-05-13	cif/ Adding data from the rest of 2009 RSC journals, Inorg-Chem-2008 and Chem-Comm-2010_18-19.	4305905.cif