Crystallography Open Database

Information card for entry 4336332

Preview

Coordinates	4336332.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44 H65 B Cl Co N O P2
Calculated formula	C44 H65 B Cl Co N O P2
SMILES	C1C[P](C(C)C)(C(C)C)[Co]2([NH]1CC[P]2(C(C)C)C(C)C)Cl.c1(ccccc1)[B-](c1ccccc1)(c1ccccc1)c1ccccc1.C1CCCO1
Title of publication	Chemistry of Reduced Monomeric and Dimeric Cobalt Complexes Supported by a PNP Pincer Ligand
Authors of publication	Sergio S. Rozenel; Rosa Padilla; John Arnold
Journal of publication	Inorganic Chemistry
Year of publication	2013
Journal volume	52
Pages of publication	11544 - 11550
a	11.0786 ± 0.0018 Å
b	13.562 ± 0.002 Å
c	16.435 ± 0.003 Å
α	100.691 ± 0.002°
β	97.532 ± 0.002°
γ	100.824 ± 0.003°
Cell volume	2347.8 ± 0.7 Å³
Cell temperature	139 ± 2 K
Ambient diffraction temperature	139 ± 2 K
Number of distinct elements	8
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0639
Residual factor for significantly intense reflections	0.045
Weighted residual factors for significantly intense reflections	0.1272
Weighted residual factors for all reflections included in the refinement	0.1379
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
179466 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/63.	4336332.cif
102310	2014-02-19	cif/ Adding structures of 4336332 via cif-deposit CGI script.	4336332.cif