Crystallography Open Database

Information card for entry 4083226

Preview

Coordinates	4083226.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C33 H50 B20 Cl2 Co2 N2 O4 S6
Calculated formula	C33 H50 B20 Cl2 Co2 N2 O4 S6
Title of publication	Synthesis and Reactivity of the Imido-Bridged Metallothiocarboranes CpCo(S2C2B10H10)(NSO2R)
Authors of publication	Zhong, Wei; Yang, Qiwu; Shang, Yi; Liu, Guifeng; Zhao, Haitao; Li, Yizhi; Yan, Hong
Journal of publication	Organometallics
Year of publication	2012
Journal volume	31
Journal issue	18
Pages of publication	6658
a	23.6733 ± 0.0017 Å
b	12.1592 ± 0.0009 Å
c	21.784 ± 0.002 Å
α	90°
β	121.224 ± 0.001°
γ	90°
Cell volume	5362.2 ± 0.7 Å³
Cell temperature	273 ± 2 K
Ambient diffraction temperature	273 ± 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	0.0587
Residual factor for significantly intense reflections	0.0503
Weighted residual factors for significantly intense reflections	0.1663
Weighted residual factors for all reflections included in the refinement	0.1719
Goodness-of-fit parameter for all reflections included in the refinement	1.044
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
178721 (current)	2016-03-21	cif/4/08/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/08/32.	4083226.cif
113655	2014-05-13	cif/ Adding structures of 4083226 via cif-deposit CGI script.	4083226.cif