Crystallography Open Database

Information card for entry 4336430

Preview

Coordinates	4336430.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H50 Cl2 N8 Ni2 O2
Calculated formula	C42 H50 Cl2 N8 Ni2 O2
SMILES	C1(N(C=CN1c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C)=[NH][Ni]1(N=O)[Cl][Ni]([NH]=C2N(C=CN2c2c(cc(cc2C)C)C)c2c(cc(cc2C)C)C)(N=O)[Cl]1
Title of publication	Insertion of Zerovalent Nickel into the N-N Bond of N-Heterocyclic-Carbene-Activated N2O
Authors of publication	Alexander G. Tskhovrebov; Euro Solari; Rosario Scopelliti; Kay Severin
Journal of publication	Inorganic Chemistry
Year of publication	2013
Journal volume	52
Pages of publication	11688 - 11690
a	11.718 ± 0.003 Å
b	14.693 ± 0.003 Å
c	12.573 ± 0.002 Å
α	90°
β	100.832 ± 0.011°
γ	90°
Cell volume	2126.2 ± 0.8 Å³
Cell temperature	140 ± 2 K
Ambient diffraction temperature	140 ± 2 K
Number of distinct elements	6
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	0.0708
Residual factor for significantly intense reflections	0.0533
Weighted residual factors for significantly intense reflections	0.1466
Weighted residual factors for all reflections included in the refinement	0.1701
Goodness-of-fit parameter for all reflections included in the refinement	1.129
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
179467 (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 4/33/64.	4336430.cif
102422	2014-02-20	cif/ Adding structures of 4336430 via cif-deposit CGI script.	4336430.cif