Crystallography Open Database

Information card for entry 7713386

Preview

Coordinates	7713386.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H41 N9 Ni O3 S3
Calculated formula	C27 H41 N9 Ni O3 S3
SMILES	[Ni]123(Sc4[n]1cc(c(=O)[nH]4)C)(Sc1[n]2cc(c(=O)[nH]1)C)Sc1[n]3cc(c(=O)[nH]1)C.[N+](CC)(CC)(CC)CC.N#CC.N#CC
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	13.27 ± 0.0005 Å
b	12.5322 ± 0.0005 Å
c	21.6315 ± 0.0008 Å
α	90°
β	94.525 ± 0.002°
γ	90°
Cell volume	3586.2 ± 0.2 Å³
Cell temperature	295 K
Ambient diffraction temperature	295 K
Number of distinct elements	6
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	0.0888
Residual factor for significantly intense reflections	0.0547
Weighted residual factors for all reflections	0.0994
Weighted residual factors for significantly intense reflections	0.0862
Weighted residual factors for all reflections included in the refinement	0.0862
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.	7713386.cif