Crystallography Open Database

Information card for entry 7016808

Preview

Coordinates	7016808.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H52 Cu3 N6 O32
Calculated formula	C24 H22 Cu3 N6 O32
Title of publication	Crystal structures and magnetism of infinite alternating chains arranged by paddle-wheel dinuclear copper and mononuclear copper units.
Authors of publication	Li, Huijun; Yao, Hongchang; Zhang, Erpeng; Jia, Yanyuan; Hou, Hongwei; Fan, Yaoting
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2011
Journal volume	40
Journal issue	37
Pages of publication	9388 - 9393
a	23.847 ± 0.005 Å
b	11.39 ± 0.002 Å
c	8.9114 ± 0.0018 Å
α	90°
β	93.32 ± 0.03°
γ	90°
Cell volume	2416.4 ± 0.8 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	12
Hermann-Mauguin space group symbol	C 1 2/m 1
Hall space group symbol	-C 2y
Residual factor for all reflections	0.0898
Residual factor for significantly intense reflections	0.0842
Weighted residual factors for significantly intense reflections	0.2147
Weighted residual factors for all reflections included in the refinement	0.2197
Goodness-of-fit parameter for all reflections included in the refinement	1.094
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
179872 (current)	2016-03-25	cif/7/01/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/01/68.	7016808.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7016808.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7016808.cif
28080	2011-10-13	../uploads/cif-deposit/cod/cif Adding structures of 7016808, 7016809 via cif-deposit CGI script.	7016808.cif