Crystallography Open Database

Information card for entry 7713383

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Coordinates	7713383.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H22 N6 Ni S2
Calculated formula	C22 H22 N6 Ni S2
SMILES	[Ni]123(Sc4[n]1c(cc(n4)C)C)(Sc1[n]2c(cc(n1)C)C)[n]1ccccc1c1[n]3cccc1
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	17.4521 ± 0.0012 Å
b	14.4468 ± 0.001 Å
c	9.2977 ± 0.0005 Å
α	90°
β	97.804 ± 0.002°
γ	90°
Cell volume	2322.5 ± 0.3 Å³
Cell temperature	295 K
Ambient diffraction temperature	295 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0615
Residual factor for significantly intense reflections	0.0449
Weighted residual factors for all reflections	0.0863
Weighted residual factors for significantly intense reflections	0.0817
Weighted residual factors for all reflections included in the refinement	0.0817
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.	7713383.cif