Crystallography Open Database

Information card for entry 4070804

Preview

Coordinates	4070804.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C55 H85 B30 Cl3 N6 Ru3 S6
Calculated formula	C55 H70 B30 Cl3 N6 Ru3 S6
Title of publication	Self-Assembly of Trinuclear Half-Sandwich Metal (Co and Ru) Complexes Containing Ancillaryortho-Carborane-1,2-dithiolato Ligands
Authors of publication	Zhang, Jia-Sheng; Liu, Shuang; Wang, Guo-Liang; Lin, Yue-Jian; Jin, Guo-Xin
Journal of publication	Organometallics
Year of publication	2008
Journal volume	27
Journal issue	6
Pages of publication	1112
a	20.384 ± 0.006 Å
b	22.015 ± 0.007 Å
c	24.629 ± 0.008 Å
α	90°
β	90°
γ	90°
Cell volume	11052 ± 6 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
Space group number	58
Hermann-Mauguin space group symbol	P n n m
Hall space group symbol	-P 2 2n
Residual factor for all reflections	0.1114
Residual factor for significantly intense reflections	0.0452
Weighted residual factors for significantly intense reflections	0.1089
Weighted residual factors for all reflections included in the refinement	0.1166
Goodness-of-fit parameter for all reflections included in the refinement	0.772
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
178597 (current)	2016-03-21	cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/08.	4070804.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4070804.cif
47256	2012-03-23	cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories.	4070804.cif
42715	2012-03-13	../uploads/cif-deposit/cod/cif Adding structures of 4070804 via cif-deposit CGI script.	4070804.cif