Crystallography Open Database

Information card for entry 7229355

Preview

Coordinates	7229355.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H36 N2 Ni O4
Calculated formula	C38 H36 N2 Ni O4
SMILES	c1(ccc(cc1)[N]1[Ni]2(OC3=C(C=1C)CCc1c3cccc1)[N](=C(C)C1=C(O2)c2c(CC1)cccc2)c1ccc(cc1)OC)OC
Title of publication	Synthesis of bis-(benzocyclohexan-ketoimino) Ni(ii) with different electron groups and their catalytic copolymerization of norbornene and polar norbornene
Authors of publication	He, Xiaohui; Yang, Yingping; Wang, Suli; Han, Zhilong; Tu, Guangshui; Zhang, Feng; Huang, Shengmei; Wang, Zijie; Chen, Defu
Journal of publication	RSC Adv.
Year of publication	2017
Journal volume	7
Journal issue	77
Pages of publication	48745
a	14.6652 ± 0.0013 Å
b	14.852 ± 0.0013 Å
c	7.0027 ± 0.0006 Å
α	90°
β	94.988 ± 0.002°
γ	90°
Cell volume	1519.5 ± 0.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 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	0.0404
Residual factor for significantly intense reflections	0.0304
Weighted residual factors for significantly intense reflections	0.0729
Weighted residual factors for all reflections included in the refinement	0.0759
Goodness-of-fit parameter for all reflections included in the refinement	1.061
Diffraction radiation wavelength	0.71076 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
202099 (current)	2017-10-18	cif/ Adding structures of 7229354, 7229355, 7229356 via cif-deposit CGI script.	7229355.cif