Crystallography Open Database

Information card for entry 4507831

Preview

Coordinates	4507831.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H102 Cl2 Cu8 Dy2 N4 O63 S4
Calculated formula	C28 H52 Cl2 Cu8 Dy2 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	16.119 ± 0.003 Å
b	13.126 ± 0.003 Å
c	19.973 ± 0.004 Å
α	90°
β	109.51 ± 0.03°
γ	90°
Cell volume	3983.2 ± 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	0.0977
Residual factor for significantly intense reflections	0.0708
Weighted residual factors for significantly intense reflections	0.1777
Weighted residual factors for all reflections included in the refinement	0.2048
Goodness-of-fit parameter for all reflections included in the refinement	1.083
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.	4507831.cif
87108	2013-07-14	cif/ Adding structures of 4507831 via cif-deposit CGI script.	4507831.cif