Crystallography Open Database

Information card for entry 4333009

Preview

Coordinates	4333009.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C11 H19 I N2 Ni
Calculated formula	C11 H19 I N2 Ni
Title of publication	Steric Effects in the Aerobic Oxidation of π-Allylnickel(II) Complexes withN-Heterocyclic Carbenes
Authors of publication	Dible, Benjamin R.; Sigman, Matthew S.
Journal of publication	Inorganic Chemistry
Year of publication	2006
Journal volume	45
Journal issue	20
Pages of publication	8430 - 8441
a	8.9469 ± 0.0003 Å
b	11.6836 ± 0.0003 Å
c	13.5112 ± 0.0004 Å
α	90°
β	107.259 ± 0.0013°
γ	90°
Cell volume	1348.76 ± 0.07 Å³
Cell temperature	150 ± 1 K
Ambient diffraction temperature	150 ± 1 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	0.0467
Residual factor for significantly intense reflections	0.0375
Weighted residual factors for significantly intense reflections	0.0957
Weighted residual factors for all reflections included in the refinement	0.1017
Goodness-of-fit parameter for all reflections included in the refinement	1.058
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179433 (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 4/33/30.	4333009.cif
98705	2014-01-30	cif/ Adding structures of 4333009 via cif-deposit CGI script.	4333009.cif