Crystallography Open Database

Information card for entry 4082268

Preview

Coordinates	4082268.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H21 B10 Co S2
Calculated formula	C15 H21 B10 Co S2
SMILES	[Co]123456([S]7[C]89%10%11[B]%12%13%14([BH]%15%168[BH]8%179[BH]9%18%10[BH]%10%19%17[BH]%17%168[BH]8%13%15[BH]%13%15%12[BH]9%10([BH]%19%178%13)[C]%11%14%18%15S1)CC27c1ccccc1)[cH]1[cH]3[cH]4[cH]5[cH]61
Title of publication	Reactivity of CpCo 16eHalf-Sandwich Complexes Containing a Chelating 1,2-Dicarba-closo-dodecaborane-1,2-dichalcogenolate Ligand toward Phenylacetylene
Authors of publication	Xu, Bao-Hua; Wu, De-Hong; Li, Yi-Zhi; Yan, Hong
Journal of publication	Organometallics
Year of publication	2007
Journal volume	26
Journal issue	17
Pages of publication	4344
a	11.962 ± 0.003 Å
b	13.029 ± 0.003 Å
c	15.174 ± 0.004 Å
α	115.007 ± 0.003°
β	103.298 ± 0.005°
γ	98.994 ± 0.004°
Cell volume	1997.7 ± 0.9 Å³
Cell temperature	291 ± 2 K
Ambient diffraction temperature	291 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0902
Residual factor for significantly intense reflections	0.0676
Weighted residual factors for significantly intense reflections	0.1529
Weighted residual factors for all reflections included in the refinement	0.1589
Goodness-of-fit parameter for all reflections included in the refinement	1.011
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
178711 (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 4/08/22.	4082268.cif
99266	2014-01-30	cif/ Adding structures of 4082266, 4082267, 4082268 via cif-deposit CGI script.	4082268.cif