Crystallography Open Database

Information card for entry 7111586

Preview

Coordinates	7111586.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H38 Br2 Cl2 N2 Ni O
Calculated formula	C28 H38 Br2 Cl2 N2 Ni O
SMILES	[Ni]1(Br)(Br)([n]2ccccc2C([NH]1c1c(C(C)C)cccc1C(C)C)c1c(C)cc(C)cc1C)[OH2].C(Cl)Cl
Title of publication	Longstanding living polymerization of ethylene: substituent effect on bridging carbon of 2-pyridinemethanamine nickel catalysts
Authors of publication	Zai, Shaobo; Liu, Fengshou; Gao, Haiyang; Li, Cong; Zhou, Guiyu; Cheng, Shan; Guo, Lihua; Zhang, Ling; Zhu, Fangming; Wu, Qing
Journal of publication	Chemical Communications
Year of publication	2010
Journal volume	46
Journal issue	24
Pages of publication	4321 - 4323
a	13.4346 ± 0.0013 Å
b	13.4926 ± 0.0013 Å
c	17.6159 ± 0.0017 Å
α	90°
β	105.588 ± 0.002°
γ	90°
Cell volume	3075.7 ± 0.5 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	7
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	0.068
Residual factor for significantly intense reflections	0.0371
Weighted residual factors for significantly intense reflections	0.1064
Weighted residual factors for all reflections included in the refinement	0.1341
Goodness-of-fit parameter for all reflections included in the refinement	0.878
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
180229 (current)	2016-03-26	cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/15.	7111586.cif
96687	2014-01-29	cif/ Adding structures of 7111586, 7111587 via cif-deposit CGI script.	7111586.cif