Crystallography Open Database

Information card for entry 4507830

Preview

Coordinates	4507830.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H102 Cl2 Cu8 Gd2 N4 O63 S4
Calculated formula	C28 H52 Cl2 Cu8 Gd2 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	16.055 ± 0.003 Å
b	13.127 ± 0.003 Å
c	19.94 ± 0.004 Å
α	90°
β	109.1 ± 0.03°
γ	90°
Cell volume	3971.1 ± 1.6 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 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	0.0795
Residual factor for significantly intense reflections	0.0587
Weighted residual factors for significantly intense reflections	0.148
Weighted residual factors for all reflections included in the refinement	0.1662
Goodness-of-fit parameter for all reflections included in the refinement	1.005
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.	4507830.cif
87107	2013-07-14	cif/ Adding structures of 4507830 via cif-deposit CGI script.	4507830.cif