Crystallography Open Database

Information card for entry 7122202

Preview

Coordinates	7122202.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H43 N3 Ni P2
Calculated formula	C22 H43 N3 Ni P2
Title of publication	Diverse catalytic reactivity of a dearomatized PN<sup>3</sup>P*-nickel hydride pincer complex towards CO<sub>2</sub> reduction.
Authors of publication	Li, Huaifeng; Gonçalves, Théo P; Zhao, Qianyi; Gong, Dirong; Lai, Zhiping; Wang, Zhixiang; Zheng, Junrong; Huang, Kuo-Wei
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2018
Journal volume	54
Journal issue	81
Pages of publication	11395 - 11398
a	21.7707 ± 0.0014 Å
b	8.2148 ± 0.0005 Å
c	14.0657 ± 0.0009 Å
α	90°
β	90°
γ	90°
Cell volume	2515.5 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.043
Residual factor for significantly intense reflections	0.0403
Weighted residual factors for significantly intense reflections	0.0962
Weighted residual factors for all reflections included in the refinement	0.1106
Goodness-of-fit parameter for all reflections included in the refinement	1.007
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
228109 (current)	2019-11-17	cif/ Updating files of 7122200, 7122201, 7122202 Original log message: Adding full bibliography for 7122200--7122202.cif.	7122202.cif
210001	2018-08-21	cif/ Adding structures of 7122200, 7122201, 7122202 via cif-deposit CGI script.	7122202.cif