Crystallography Open Database

Information card for entry 4108382

Preview

Coordinates	4108382.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H51 N3 Ni P2
Calculated formula	C27 H51 N3 Ni P2
SMILES	[Ni]12([P](C(C)(C)C)(CC[P]1(C(C)(C)C)C(C)(C)C)C(C)(C)C)N(=N2)=Nc1c(cc(cc1C)C)C
Title of publication	η2-Organoazide Complexes of Nickel and Their Conversion to Terminal Imido Complexes via Dinitrogen Extrusion
Authors of publication	Rory Waterman; Gregory L. Hillhouse
Journal of publication	Journal of the American Chemical Society
Year of publication	2008
Journal volume	130
Pages of publication	12628 - 12629
a	8.6921 ± 0.0008 Å
b	21.3953 ± 0.0019 Å
c	16.4939 ± 0.0015 Å
α	90°
β	102.456 ± 0.002°
γ	90°
Cell volume	2995.2 ± 0.5 Å³
Cell temperature	373 ± 2 K
Ambient diffraction temperature	373 ± 2 K
Number of distinct elements	5
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	0.0703
Residual factor for significantly intense reflections	0.0517
Weighted residual factors for significantly intense reflections	0.1087
Weighted residual factors for all reflections included in the refinement	0.1158
Goodness-of-fit parameter for all reflections included in the refinement	1.035
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
178829 (current)	2016-03-21	cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/83.	4108382.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4108382.cif
56736	2012-05-15	cif/ Adding structures of 4108382 via cif-deposit CGI script.	4108382.cif