Crystallography Open Database

Information card for entry 1565224

Preview

Coordinates	1565224.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C68 H72 B2 F8 N4 Ni2 O P4 S4
Calculated formula	C68 H72 B2 F8 N4 Ni2 O P4 S4
Title of publication	A dinuclear nickel catalyst based on metal–metal cooperation for electrochemical hydrogen production
Authors of publication	Hamaguchi, Tomohiko; Kai, Keisuke; Ando, Isao; Kawano, Ken; Yamauchi, Kosei; Sakai, Ken
Journal of publication	Inorganica Chimica Acta
Year of publication	2020
Journal volume	505
Pages of publication	119498
a	25.293 ± 0.0004 Å
b	14.6432 ± 0.0003 Å
c	20.5612 ± 0.0004 Å
α	90°
β	113.05 ± 0.0012°
γ	90°
Cell volume	7007.3 ± 0.2 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	9
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	0.0521
Residual factor for significantly intense reflections	0.0443
Weighted residual factors for significantly intense reflections	0.1237
Weighted residual factors for all reflections included in the refinement	0.1287
Goodness-of-fit parameter for all reflections included in the refinement	1.014
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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