Crystallography Open Database

Information card for entry 4341877

Preview

Coordinates	4341877.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H63 N Ni O1.5 P2
Calculated formula	C38 H63 N Ni O1.5 P2
Title of publication	Carbon-Hydrogen Bond Activation, C-N Bond Coupling, and Cycloaddition Reactivity of a Three-Coordinate Nickel Complex Featuring a Terminal Imido Ligand.
Authors of publication	Mindiola, Daniel J.; Waterman, Rory; Iluc, Vlad M.; Cundari, Thomas R.; Hillhouse, Gregory L.
Journal of publication	Inorganic chemistry
Year of publication	2014
Pages of publication	141201110357006
a	9.9378 ± 0.0006 Å
b	18.7987 ± 0.0012 Å
c	20.7194 ± 0.0013 Å
α	90°
β	99.403 ± 0.001°
γ	90°
Cell volume	3818.7 ± 0.4 Å³
Cell temperature	373 ± 2 K
Ambient diffraction temperature	373 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0723
Residual factor for significantly intense reflections	0.0697
Weighted residual factors for significantly intense reflections	0.1333
Weighted residual factors for all reflections included in the refinement	0.1343
Goodness-of-fit parameter for all reflections included in the refinement	1.317
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
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4341877.cif
128268	2014-12-06	cif/ Adding structures of 4341877 via cif-deposit CGI script.	4341877.cif