Crystallography Open Database

Information card for entry 7016828

Preview

Coordinates	7016828.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C96 H76 Cd4 N6 Ni O S10
Calculated formula	C96 H74 Cd4 N6 Ni O S10
Title of publication	Anion-cation charge-transfer properties and spectral studies of [M(phen)(3)][Cd(4)(SPh)(10)] (M = Ru, Fe, and Ni).
Authors of publication	Jiang, Jian-Bing; Bian, Guo-Qing; Zhang, Ya-Ping; Luo, Wen; Zhu, Qin-Yu; Dai, Jie
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2011
Journal volume	40
Journal issue	37
Pages of publication	9551 - 9556
a	14.134 ± 0.002 Å
b	17.186 ± 0.003 Å
c	19.929 ± 0.004 Å
α	100.749 ± 0.003°
β	102.611 ± 0.004°
γ	94.427 ± 0.003°
Cell volume	4606 ± 1.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0887
Residual factor for significantly intense reflections	0.0556
Weighted residual factors for significantly intense reflections	0.1078
Weighted residual factors for all reflections included in the refinement	0.1234
Goodness-of-fit parameter for all reflections included in the refinement	0.937
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
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.	7016828.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7016828.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7016828.cif
28087	2011-10-13	../uploads/cif-deposit/cod/cif Adding structures of 7016827, 7016828, 7016829 via cif-deposit CGI script.	7016828.cif