Crystallography Open Database

Information card for entry 1550150

Preview

Coordinates	1550150.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C41 H49 B Cl4 Co F4 Ni P2 S2
Calculated formula	C41 H50 B Cl4 Co F4 Ni P2 S2
SMILES	[B](F)(F)(F)[F-].C1CC[S]2[Co]345678([c]9([c]3([c]4([c]5([c]69C)C)C)C)C)[H][Ni]327([P](c2ccccc2)(c2ccccc2)CC[P]3(c2ccccc2)c2ccccc2)[S]18.C(Cl)Cl.C(Cl)Cl
Title of publication	Bimetallic Nickel-Cobalt Hydride in H2 Activation and Catalytic Proton Reduction
Authors of publication	Wang, Wenguang; Chu, Xiaoxiao; Jin, Jihao; Ming, Bangrong; Pang, Maofu; Yu, Xin; Tung, Chen-Ho
Journal of publication	Chemical Science
Year of publication	2019
a	10.9745 ± 0.0005 Å
b	13.331 ± 0.0006 Å
c	17.0646 ± 0.0008 Å
α	78.527 ± 0.004°
β	79.83 ± 0.004°
γ	69.506 ± 0.004°
Cell volume	2276.23 ± 0.19 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 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	0.0874
Residual factor for significantly intense reflections	0.0715
Weighted residual factors for significantly intense reflections	0.1854
Weighted residual factors for all reflections included in the refinement	0.2049
Goodness-of-fit parameter for all reflections included in the refinement	1.061
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
211709 (current)	2018-10-31	cif/ Adding structures of 1550149, 1550150, 1550151, 1550152, 1550153 via cif-deposit CGI script.	1550150.cif