Crystallography Open Database

Information card for entry 4082266

Preview

Coordinates	4082266.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H20 B10 Co2 Se2
Calculated formula	C12 H20 B10 Co2 Se2
SMILES	[BH]1234[BH]567[BH]89%10[BH]%11%12%13[BH]%14%159[BH]968[BH]625[BH]251[BH]%11%14([BH]%15962)[C]14%135[C]37%10%12[Se]2[Co]34567([cH]8[cH]6[cH]5[cH]4[cH]38)[Co]34562([cH]2[cH]3[cH]4[cH]5[cH]62)[Se]17
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	12.25 ± 0.003 Å
b	9.259 ± 0.003 Å
c	17.685 ± 0.005 Å
α	90°
β	99.682 ± 0.004°
γ	90°
Cell volume	1977.3 ± 1 Å³
Cell temperature	273 ± 2 K
Ambient diffraction temperature	273 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0624
Residual factor for significantly intense reflections	0.051
Weighted residual factors for significantly intense reflections	0.1257
Weighted residual factors for all reflections included in the refinement	0.1293
Goodness-of-fit parameter for all reflections included in the refinement	1.096
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.	4082266.cif
99266	2014-01-30	cif/ Adding structures of 4082266, 4082267, 4082268 via cif-deposit CGI script.	4082266.cif