Crystallography Open Database

Information card for entry 7205875

7205874 << 7205875 >> 7205876

Preview

Coordinates	7205875.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C54 H96 Br6 Cl4 Cu7 N20 O12
Calculated formula	C48 H68 Br6 Cl4 Cu7 N18 O10
Title of publication	Positional disorder of Cu(ii) ions in a cluster: a novel heptanuclear Cu(ii) core supported by 4-bromo-3,5-dimethylpyrazolate
Authors of publication	Xu, Yanqing; Xia, Peilei; Wang, Xiuteng; Wei, Wei; Zhang, Fanzhou; Hu, Changwen
Journal of publication	CrystEngComm
Year of publication	2011
Journal volume	13
Journal issue	8
Pages of publication	2820
a	24.3342 ± 0.0013 Å
b	22.3283 ± 0.0012 Å
c	14.4168 ± 0.0008 Å
α	90°
β	90°
γ	90°
Cell volume	7833.2 ± 0.7 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	7
Space group number	62
Hermann-Mauguin space group symbol	P n m a
Hall space group symbol	-P 2ac 2n
Residual factor for all reflections	0.0703
Residual factor for significantly intense reflections	0.0462
Weighted residual factors for significantly intense reflections	0.1261
Weighted residual factors for all reflections included in the refinement	0.1417
Goodness-of-fit parameter for all reflections included in the refinement	1.044
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
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7205875.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7205875.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7205875.cif
21039	2011-06-21	../uploads/cif-deposit/cod/cif Adding structures of 7205874, 7205875 via cif-deposit CGI script.	7205875.cif