Crystallography Open Database

Information card for entry 1556314

Preview

Coordinates	1556314.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C90 H84 Br0 N2 Ni O2
Calculated formula	C90 H84 N2 Ni O2
SMILES	c12c(cc(cc1C=[N]([Ni]1(O2)[N](=Cc2c(c(cc(c2)C(c2ccccc2)c2ccccc2)C(c2ccccc2)c2ccccc2)O1)c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C)C(c1ccccc1)c1ccccc1)C(c1ccccc1)c1ccccc1
Title of publication	Nickel bis{4,6-dibenzhydryl-2-[(arylimino)methyl]phenoxylate} complexes: Synthesis, structures, and catalytic behaviour towards ethylene and norbornene
Authors of publication	Zhou, Zihong; Hao, Xiang; Redshaw, Carl; Chen, Langqiu; Sun, Wen-Hua
Journal of publication	Catalysis Science & Technology
Year of publication	2012
Journal volume	2
Journal issue	7
Pages of publication	1340
a	10.515 ± 0.002 Å
b	13.887 ± 0.003 Å
c	15.272 ± 0.003 Å
α	80.61 ± 0.03°
β	71.05 ± 0.03°
γ	70.1 ± 0.03°
Cell volume	1979.8 ± 0.8 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for significantly intense reflections	0.0787
Weighted residual factors for significantly intense reflections	0.2086
Weighted residual factors for all reflections included in the refinement	0.2206
Goodness-of-fit parameter for all reflections included in the refinement	1.144
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
244209 (current)	2019-11-28	cif/ Adding structures of 1556314, 1556315 via cif-deposit CGI script.	1556314.cif