Crystallography Open Database

Information card for entry 7713381

Preview

Coordinates	7713381.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H14 N6 Ni S2
Calculated formula	C20 H14 N6 Ni S2
SMILES	[Ni]123(Sc4[n]1cccn4)(Sc1[n]2cccn1)[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	13.2078 ± 0.0017 Å
b	10.4518 ± 0.0014 Å
c	14.7158 ± 0.0019 Å
α	90°
β	105.951 ± 0.005°
γ	90°
Cell volume	1953.2 ± 0.4 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	0.0784
Residual factor for significantly intense reflections	0.0491
Weighted residual factors for all reflections	0.1106
Weighted residual factors for significantly intense reflections	0.1015
Weighted residual factors for all reflections included in the refinement	0.1015
Goodness-of-fit parameter for all reflections included in the refinement	1
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.	7713381.cif