Crystallography Open Database

Information card for entry 7122201

Preview

Coordinates	7122201.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H41 N3 Ni P2
Calculated formula	C25 H41 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	20.386 ± 0.004 Å
b	20.386 ± 0.004 Å
c	24.639 ± 0.005 Å
α	90°
β	90°
γ	90°
Cell volume	10240 ± 4 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	5
Space group number	88
Hermann-Mauguin space group symbol	I 41/a :2
Hall space group symbol	-I 4ad
Residual factor for all reflections	0.025
Residual factor for significantly intense reflections	0.0224
Weighted residual factors for significantly intense reflections	0.0592
Weighted residual factors for all reflections included in the refinement	0.0606
Goodness-of-fit parameter for all reflections included in the refinement	1.062
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
228109 (current)	2019-11-17	cif/ Updating files of 7122200, 7122201, 7122202 Original log message: Adding full bibliography for 7122200--7122202.cif.	7122201.cif
210001	2018-08-21	cif/ Adding structures of 7122200, 7122201, 7122202 via cif-deposit CGI script.	7122201.cif