Crystallography Open Database

Information card for entry 4083228

Preview

Coordinates	4083228.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H62 B20 Co2 N2 O15 S6
Calculated formula	C40 H62 B20 Co2 N2 O15 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	13.9615 ± 0.0015 Å
b	15.6397 ± 0.0012 Å
c	19.696 ± 0.002 Å
α	74.878 ± 0.001°
β	69.511 ± 0.005°
γ	65.522 ± 0.001°
Cell volume	3632.5 ± 0.6 Å³
Cell temperature	291 ± 2 K
Ambient diffraction temperature	291 ± 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	0.0999
Residual factor for significantly intense reflections	0.0652
Weighted residual factors for significantly intense reflections	0.1377
Weighted residual factors for all reflections included in the refinement	0.1457
Goodness-of-fit parameter for all reflections included in the refinement	1.064
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
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.	4083228.cif
113657	2014-05-13	cif/ Adding structures of 4083228 via cif-deposit CGI script.	4083228.cif