Crystallography Open Database

Information card for entry 4313623

Preview

Coordinates	4313623.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H84 Cl Cu8 F6 O12 P7 Se12
Calculated formula	C36 H82 Cl Cu8 F6 O12 P7 Se12
Title of publication	Novel Chloride-Centered Discrete CuI8 Cubic Clusters Containing Diselenophosphate Ligands. Syntheses and Structures of {Cu8(μ8-Cl)[Se2P(OR)2]6}(PF6) (R = Et, Pr,iPr)1
Authors of publication	C. W. Liu; Chiu-Mine Hung; Bidyut Kumar Santra; Hsiu-Chih Chen; Hsueh; Ju-Chung Wang
Journal of publication	Inorganic Chemistry
Year of publication	2003
Journal volume	42
Pages of publication	3216 - 3220
a	24.3235 ± 0.0013 Å
b	13.1497 ± 0.0007 Å
c	24.9717 ± 0.0013 Å
α	90°
β	91.463 ± 0.001°
γ	90°
Cell volume	7984.5 ± 0.7 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	8
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0655
Residual factor for significantly intense reflections	0.0506
Weighted residual factors for significantly intense reflections	0.1079
Weighted residual factors for all reflections included in the refinement	0.1168
Goodness-of-fit parameter for all reflections included in the refinement	1.124
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
179198 (current)	2016-03-23	cif/4/31/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/31/36.	4313623.cif
120093	2014-07-12	Adding DOIs to range 4/31 structures.	4313623.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4313623.cif
6692	2011-01-12	../uploads/cif-deposit/cod/cif Adding structures of 4313623 via cif-deposit CGI script.	4313623.cif