Crystallography Open Database

Information card for entry 4507829

Preview

Coordinates	4507829.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H76 Cl2 Cu8 La2 N4 O63 S4
Calculated formula	C28 H56 Cl2 Cu8 La2 N4 O63 S4
Title of publication	Synthesis, Structures, and Magnetic Properties of Three Decanuclear Ln2Cu8Clusters of Alkylsulfonate
Authors of publication	Zhang, Han; Zhuang, Gui-Lin; Kong, Xiang-Jian; Ren, Yan-Ping; Long, La-Sheng; Huang, Rong-Bin; Zheng, Lan-Sun
Journal of publication	Crystal Growth & Design
Year of publication	2013
Journal volume	13
Journal issue	6
Pages of publication	2493
a	16.337 ± 0.003 Å
b	12.91 ± 0.002 Å
c	20.112 ± 0.004 Å
α	90°
β	109.601 ± 0.003°
γ	90°
Cell volume	3996 ± 1.2 Å³
Cell temperature	273 ± 2 K
Ambient diffraction temperature	273 ± 2 K
Number of distinct elements	8
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0754
Residual factor for significantly intense reflections	0.0724
Weighted residual factors for significantly intense reflections	0.184
Weighted residual factors for all reflections included in the refinement	0.1865
Goodness-of-fit parameter for all reflections included in the refinement	1.084
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
179614 (current)	2016-03-24	cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/78.	4507829.cif
87106	2013-07-14	cif/ Adding structures of 4507829 via cif-deposit CGI script.	4507829.cif