Crystallography Open Database

Information card for entry 7125991

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Coordinates	7125991.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H28 Cl2 N6 Ni O8 S2
Calculated formula	C30 H28 Cl2 N6 Ni O8 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	21.948 ± 0.002 Å
b	8.33062 ± 0.00019 Å
c	20.7006 ± 0.0008 Å
α	90°
β	115.404 ± 0.005°
γ	90°
Cell volume	3418.9 ± 0.4 Å³
Cell temperature	296 K
Ambient diffraction temperature	296 K
Number of distinct elements	7
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.0356
Residual factor for significantly intense reflections	0.0346
Weighted residual factors for significantly intense reflections	0.0932
Weighted residual factors for all reflections included in the refinement	0.0941
Goodness-of-fit parameter for all reflections included in the refinement	1.06
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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