Crystallography Open Database

Information card for entry 4074630

Preview

Coordinates	4074630.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C10 H21 B8 Cl Co P
Calculated formula	C10 H21 B8 Cl Co P
SMILES	[Co]1234567([P]89%10[BH]%11%122[B]2%133(Cl)[CH]3%141[CH]1%15%16[BH]483[BH]3%10%15[BH]49%11[BH]8%122[BH]%13%141[BH]%16348)[C]1(=[C]5([C]6(=[C]71C)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	15.2228 ± 0.0016 Å
b	16.3482 ± 0.0017 Å
c	13.2296 ± 0.0014 Å
α	90°
β	90°
γ	90°
Cell volume	3292.4 ± 0.6 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	6
Space group number	29
Hermann-Mauguin space group symbol	P 21 c a
Hall space group symbol	P -2ac 2a
Residual factor for all reflections	0.0551
Residual factor for significantly intense reflections	0.044
Weighted residual factors for significantly intense reflections	0.0934
Weighted residual factors for all reflections included in the refinement	0.0973
Goodness-of-fit parameter for all reflections included in the refinement	1.01
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.	4074630.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4074630.cif
48620	2012-03-27	../uploads/cif-deposit/cod/cif Adding structures of 4074630 via cif-deposit CGI script.	4074630.cif