Crystallography Open Database

Information card for entry 1569186

Preview

Coordinates	1569186.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C46 H37 Br2 Cl2 N Ni O P2 S2
Calculated formula	C46 H37 Br2 Cl2 N Ni O P2 S2
Title of publication	Electrocatalytic hydrogen evolution by robust square planar nickel complexes in an S2P2 coordination environment
Authors of publication	Chen, Luo; Li, Tao; Xie, Bin; Lai, Chuan; Ji, Run-Wu; He, Jia-Yu; Cao, Jia-Xi; Liu, Meng-Nan; Li, Wei; Zhang, Dong-Liang
Journal of publication	Catalysis Science & Technology
Year of publication	2023
Journal volume	13
Journal issue	12
Pages of publication	3655 - 3666
a	8.874 ± 0.017 Å
b	16.683 ± 0.012 Å
c	16.979 ± 0.012 Å
α	118.128 ± 0.004°
β	102.945 ± 0.004°
γ	94.354 ± 0.006°
Cell volume	2112 ± 5 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100.15 K
Number of distinct elements	9
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0876
Residual factor for significantly intense reflections	0.0666
Weighted residual factors for significantly intense reflections	0.186
Weighted residual factors for all reflections included in the refinement	0.1993
Goodness-of-fit parameter for all reflections included in the refinement	1.031
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
284830 (current)	2023-07-05	cif/ Updating files of 1569186, 1569187 Original log message: Adding full bibliography for 1569186--1569187.cif.	1569186.cif
283805	2023-05-17	cif/ Adding structures of 1569186, 1569187 via cif-deposit CGI script.	1569186.cif