Crystallography Open Database

Information card for entry 4083219

Preview

Coordinates	4083219.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C72 H106 B40 Co4 N4 O17 S12
Calculated formula	C72 H106 B40 Co4 N4 O17 S12
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	16.6772 ± 0.0019 Å
b	14.3498 ± 0.0016 Å
c	22.951 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	5492.5 ± 1.1 Å³
Cell temperature	291 ± 2 K
Ambient diffraction temperature	291 ± 2 K
Number of distinct elements	7
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0688
Residual factor for significantly intense reflections	0.0519
Weighted residual factors for significantly intense reflections	0.1192
Weighted residual factors for all reflections included in the refinement	0.1237
Goodness-of-fit parameter for all reflections included in the refinement	1.041
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.	4083219.cif
113648	2014-05-13	cif/ Adding structures of 4083219 via cif-deposit CGI script.	4083219.cif