Crystallography Open Database

Information card for entry 7229354

Preview

Coordinates	7229354.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H30 F6 N2 Ni O2
Calculated formula	C38 H30 F6 N2 Ni O2
SMILES	CC1C2=C(O[Ni]3([N]=1c1ccc(C(F)(F)F)cc1)[N](=C(C)C1=C(O3)c3ccccc3CC1)c1ccc(C(F)(F)F)cc1)c1ccccc1CC2
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	8.719 ± 0.003 Å
b	7.351 ± 0.003 Å
c	24.392 ± 0.01 Å
α	90°
β	94.484 ± 0.01°
γ	90°
Cell volume	1558.6 ± 1 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.1224
Residual factor for significantly intense reflections	0.0958
Weighted residual factors for significantly intense reflections	0.2224
Weighted residual factors for all reflections included in the refinement	0.2299
Goodness-of-fit parameter for all reflections included in the refinement	1.116
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.	7229354.cif