Crystallography Open Database

Information card for entry 4336338

Preview

Coordinates	4336338.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H37 Cl Co N P2
Calculated formula	C16 H37 Cl Co N P2
SMILES	C1C[P](C(C)C)(C(C)C)[Co]2([NH]1CC[P]2(C(C)C)C(C)C)Cl
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	10.2394 ± 0.0011 Å
b	13.5741 ± 0.0015 Å
c	15.6167 ± 0.0017 Å
α	90°
β	101.668 ± 0.002°
γ	90°
Cell volume	2125.7 ± 0.4 Å³
Cell temperature	169 ± 2 K
Ambient diffraction temperature	169 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0313
Residual factor for significantly intense reflections	0.0275
Weighted residual factors for significantly intense reflections	0.0656
Weighted residual factors for all reflections included in the refinement	0.0693
Goodness-of-fit parameter for all reflections included in the refinement	1.089
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.	4336338.cif
102316	2014-02-19	cif/ Adding structures of 4336338 via cif-deposit CGI script.	4336338.cif