Crystallography Open Database

Information card for entry 4336337

Preview

Coordinates	4336337.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H72 Co2 N2 P4
Calculated formula	C32 H72 Co2 N2 P4
SMILES	C12C[P](C(C)C)(C(C)C)[CoH]345[N]6(CC[P]4(C(C)C)C(C)C)CC[P](C(C)C)(C(C)C)[Co]4256[N]13CC[P]4(C(C)C)C(C)C
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	36.173 ± 0.007 Å
b	10.119 ± 0.005 Å
c	21.802 ± 0.005 Å
α	90°
β	104.628 ± 0.009°
γ	90°
Cell volume	7722 ± 4 Å³
Cell temperature	165 ± 2 K
Ambient diffraction temperature	165 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0441
Residual factor for significantly intense reflections	0.031
Weighted residual factors for significantly intense reflections	0.0736
Weighted residual factors for all reflections included in the refinement	0.0799
Goodness-of-fit parameter for all reflections included in the refinement	1.045
Diffraction radiation wavelength	0.71069 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.	4336337.cif
102315	2014-02-19	cif/ Adding structures of 4336337 via cif-deposit CGI script.	4336337.cif