Crystallography Open Database

Information card for entry 7713382

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Coordinates	7713382.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H12 F6 N6 Ni S2
Calculated formula	C22 H12 F6 N6 Ni S2
SMILES	[Ni]123(Sc4[n]1ccc(n4)C(F)(F)F)(Sc1[n]2ccc(n1)C(F)(F)F)[n]1cccc2ccc4ccc[n]3c4c12
Title of publication	Light-induced hydrogen production from water using nickel(II) catalysts and N-doped carbon-dot photosensitizers: catalytic efficiency enhancement by increase of catalyst nuclearity.
Authors of publication	Gioftsidou, Dimitra K.; Landrou, Georgios; Tzatza, Charikleia; Hatzidimitriou, Antonios; Orfanos, Emmanouil; Charalambidis, Georgios; Ladomenou, Kalliopi; Coutsolelos, Athanassios G.; Angaridis, Panagiotis A.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2023
a	7.29 ± 0.0013 Å
b	10.3529 ± 0.0017 Å
c	16.582 ± 0.003 Å
α	81.942 ± 0.005°
β	85.59 ± 0.005°
γ	70.476 ± 0.005°
Cell volume	1167.3 ± 0.4 Å³
Cell temperature	295 K
Ambient diffraction temperature	295 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0536
Residual factor for significantly intense reflections	0.0442
Weighted residual factors for all reflections	0.0831
Weighted residual factors for significantly intense reflections	0.0824
Weighted residual factors for all reflections included in the refinement	0.0824
Goodness-of-fit parameter for all reflections included in the refinement	0.9999
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
284793 (current)	2023-07-05	cif/ Adding structures of 7713381, 7713382, 7713383, 7713384, 7713385, 7713386, 7713387, 7713388, 7713389 via cif-deposit CGI script.	7713382.cif