Crystallography Open Database

Information card for entry 4103548

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Structure parameters

Formula	C37 H35 Co N4
Calculated formula	C37 H35 Co N4
SMILES	[Co]123N(C(c4[n]2c(C(=[N]1c1c(cc(cc1C)C)C)c1ccccc1)ccc4)c1ccccc1)c1c(cc(cc1C=[NH]3)C)C
Title of publication	Photolysis and Thermolysis of Bis(imino)pyridine Cobalt Azides: C-H Activation from Putative Cobalt Nitrido Complexes
Authors of publication	Crisita Carmen Hojilla Atienza; Amanda C. Bowman; Emil Lobkovsky; Paul J. Chirik
Journal of publication	Journal of the American Chemical Society
Year of publication	2010
Journal volume	132
Pages of publication	16343 - 16345
a	9.898 ± 0.0006 Å
b	13.3037 ± 0.0008 Å
c	13.829 ± 0.0008 Å
α	101.844 ± 0.003°
β	101.392 ± 0.003°
γ	103.947 ± 0.003°
Cell volume	1670.19 ± 0.18 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0714
Residual factor for significantly intense reflections	0.0474
Weighted residual factors for significantly intense reflections	0.1287
Weighted residual factors for all reflections included in the refinement	0.1373
Goodness-of-fit parameter for all reflections included in the refinement	1.056
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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