Crystallography Open Database

Information card for entry 4070805

Preview

Coordinates	4070805.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C54 H87 B30 Co3 N6 S6
Calculated formula	C54 H72 B30 Co3 N6 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	34.927 ± 0.006 Å
b	34.927 ± 0.006 Å
c	16.073 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	19607 ± 7 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	138
Hermann-Mauguin space group symbol	P 42/n c m :2
Hall space group symbol	-P 4ac 2ac
Residual factor for all reflections	0.1402
Residual factor for significantly intense reflections	0.0748
Weighted residual factors for significantly intense reflections	0.2184
Weighted residual factors for all reflections included in the refinement	0.2483
Goodness-of-fit parameter for all reflections included in the refinement	1.03
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.	4070805.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4070805.cif
47256	2012-03-23	cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories.	4070805.cif
42716	2012-03-13	../uploads/cif-deposit/cod/cif Adding structures of 4070805 via cif-deposit CGI script.	4070805.cif