Crystallography Open Database

Information card for entry 7125997

Preview

Coordinates	7125997.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C46 H52 Cl4 Co N4 Ni S2
Calculated formula	C46 H52 Cl4 Co N4 Ni S2
Title of publication	Photocatalytic and electrocatalytic hydrogen production using nickel complexes supported by hemilabile and non-innocent ligands.
Authors of publication	Inoue, Satoshi; Yan, Yin-Nan; Yamanishi, Katsunori; Kataoka, Yusuke; Kawamoto, Tatsuya
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2020
Journal volume	56
Journal issue	19
Pages of publication	2829 - 2832
a	12.3345 ± 0.0004 Å
b	22.2711 ± 0.0006 Å
c	18.1248 ± 0.0007 Å
α	90°
β	109.54 ± 0.004°
γ	90°
Cell volume	4692.2 ± 0.3 Å³
Cell temperature	296 K
Ambient diffraction temperature	296 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0863
Residual factor for significantly intense reflections	0.0767
Weighted residual factors for significantly intense reflections	0.2118
Weighted residual factors for all reflections included in the refinement	0.2248
Goodness-of-fit parameter for all reflections included in the refinement	1.043
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
250177 (current)	2020-04-05	cif/ Updating files of 7125991, 7125992, 7125993, 7125994, 7125995, 7125996, 7125997 Original log message: Adding full bibliography for 7125991--7125997.cif.	7125997.cif
248106	2020-02-13	cif/ Adding structures of 7125991, 7125992, 7125993, 7125994, 7125995, 7125996, 7125997 via cif-deposit CGI script.	7125997.cif