Crystallography Open Database

Information card for entry 4075206

Preview

Coordinates	4075206.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C10 H15 B7 Co2 O6
Calculated formula	C10 H15 B7 Co2 O6
SMILES	[CH]123[BH]456[BH]781[BH]192[BH]234[B]349([BH]981[Co]1857(C#[O])(C#[O])C(=O)[Co]498([BH]6231)(C#[O])C#[O])[O]1CCCC1
Title of publication	Synthesis and Reactivity of 10- and 12-Vertex Cobalt−Monocarborane Anions Containing Multiple Metal Centers
Authors of publication	Lu, Xiu Lian; McGrath, Thomas D.; Stone, F. Gordon A.
Journal of publication	Organometallics
Year of publication	2006
Journal volume	25
Journal issue	10
Pages of publication	2590
a	13.883 ± 0.0008 Å
b	14.5367 ± 0.0007 Å
c	17.2427 ± 0.0008 Å
α	90°
β	90°
γ	90°
Cell volume	3479.8 ± 0.3 Å³
Cell temperature	110 ± 2 K
Ambient diffraction temperature	110 ± 2 K
Number of distinct elements	5
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	0.1133
Residual factor for significantly intense reflections	0.0784
Weighted residual factors for significantly intense reflections	0.2005
Weighted residual factors for all reflections included in the refinement	0.225
Goodness-of-fit parameter for all reflections included in the refinement	1.06
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
178641 (current)	2016-03-21	cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/52.	4075206.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4075206.cif
49118	2012-03-27	../uploads/cif-deposit/cod/cif Adding structures of 4075203, 4075204, 4075205, 4075206, 4075207, 4075208 via cif-deposit CGI script.	4075206.cif