Crystallography Open Database

Information card for entry 4336335

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Structure parameters

Formula	C16 H36 Co N3 P2
Calculated formula	C16 H36 Co N3 P2
SMILES	[Co]12([P](CCN2CC[P]1(C(C)C)C(C)C)(C(C)C)C(C)C)[N]#N
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	7.6183 ± 0.0007 Å
b	8.5862 ± 0.0008 Å
c	17.7206 ± 0.0016 Å
α	77.298 ± 0.001°
β	84.314 ± 0.0012°
γ	68.049 ± 0.001°
Cell volume	1048.62 ± 0.17 Å³
Cell temperature	159 ± 2 K
Ambient diffraction temperature	159 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0234
Residual factor for significantly intense reflections	0.0221
Weighted residual factors for significantly intense reflections	0.0601
Weighted residual factors for all reflections included in the refinement	0.0611
Goodness-of-fit parameter for all reflections included in the refinement	1.09
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
301839 (current)	2025-08-21	Add cross-references to PubChem compounds in COD range 4/33/ Each referenced PubChem compound corresponds to the full crystal structure.	4336335.cif
179466	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.	4336335.cif
102313	2014-02-19	cif/ Adding structures of 4336335 via cif-deposit CGI script.	4336335.cif