Crystallography Open Database

Information card for entry 4074629

Preview

Coordinates	4074629.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C10 H22 B8 Co P
Calculated formula	C10 H22 B8 Co P
SMILES	[Co]1234567(P89%10[BH]%11%121[BH]1%139[BH]9%14%11[BH]%11%15%16[BH]%17%18%19[BH]28([BH]%101%17[BH]%139%11%18)[CH]3%15%19[CH]4%12%14%16)[C]1(=[C]7([C]6(=[C]51C)C)C)C
Title of publication	(Tetramethylcyclobutadiene)cobalt Complexes with Phosphacarborane Ligands†
Authors of publication	Mutseneck, Elena V.; Perekalin, Dmitry S.; Holub, Josef; Starikova, Zoya A.; Petrovskii, Pavel V.; Zanello, Piero; Corsini, Maddalena; Štíbr, Bohumil; Kudinov, Alexander R.
Journal of publication	Organometallics
Year of publication	2006
Journal volume	25
Journal issue	10
Pages of publication	2419
a	7.313 ± 0.003 Å
b	16.804 ± 0.006 Å
c	13.48 ± 0.005 Å
α	90°
β	103.694 ± 0.007°
γ	90°
Cell volume	1609.4 ± 1.1 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 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	0.0409
Residual factor for significantly intense reflections	0.0353
Weighted residual factors for significantly intense reflections	0.0692
Weighted residual factors for all reflections included in the refinement	0.0715
Goodness-of-fit parameter for all reflections included in the refinement	1.033
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
178635 (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 4/07/46.	4074629.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4074629.cif
48619	2012-03-27	../uploads/cif-deposit/cod/cif Adding structures of 4074629 via cif-deposit CGI script.	4074629.cif