Crystallography Open Database

Information card for entry 7060864

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Coordinates	7060864.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H40 N Ni S4
Calculated formula	C36 H40 N Ni S4
Title of publication	Ni(ii) dithiolate anion composites with two-dimensional materials for electrochemical oxygen evolution reactions (OERs)
Authors of publication	Singh, Ayushi; Singh, Amita; Kociok-Köhn, Gabriele; Molloy, Kieran C.; Singh, Ashish Kumar; Kumar, Abhinav; Muddassir, Mohd.
Journal of publication	New Journal of Chemistry
Year of publication	2021
Journal volume	45
Journal issue	35
Pages of publication	16264 - 16270
a	15.3812 ± 0.0004 Å
b	7.969 ± 0.0005 Å
c	28.6691 ± 0.0009 Å
α	90°
β	90°
γ	90°
Cell volume	3514.1 ± 0.3 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	54
Hermann-Mauguin space group symbol	P c c a
Hall space group symbol	-P 2a 2ac
Residual factor for all reflections	0.1266
Residual factor for significantly intense reflections	0.0895
Weighted residual factors for significantly intense reflections	0.2391
Weighted residual factors for all reflections included in the refinement	0.2688
Goodness-of-fit parameter for all reflections included in the refinement	1.042
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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