Crystallography Open Database

Information card for entry 7234376

Preview

Coordinates	7234376.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	[NiL26a]
Formula	C26 H24 N4 Ni O6
Calculated formula	C26 H24 N4 Ni O6
SMILES	C1(=C(C=[N]2c3cc4c(cc3[N]3=CC(=C(C)O[Ni]23O1)C(=O)OCC)nc1c(cccc1)n4)C(=O)OCC)C
Title of publication	Modulation of the ligand-based fluorescence of 3d metal complexes upon spin state change
Authors of publication	Charles Lochenie; Kristina G. Wagner; Matthias Karg; Birgit Weber
Journal of publication	Journal of Materials Chemistry C
Year of publication	2015
Journal volume	3
Pages of publication	7925 - 7935
a	4.084 ± 0.001 Å
b	12.918 ± 0.003 Å
c	22.854 ± 0.006 Å
α	101.906 ± 0.019°
β	91.824 ± 0.02°
γ	93.995 ± 0.02°
Cell volume	1175.6 ± 0.5 Å³
Cell temperature	133 ± 2 K
Ambient diffraction temperature	133 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1498
Residual factor for significantly intense reflections	0.0497
Weighted residual factors for significantly intense reflections	0.072
Weighted residual factors for all reflections included in the refinement	0.0884
Goodness-of-fit parameter for all reflections included in the refinement	0.68
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
219095 (current)	2019-10-04	cif/ Adding structures of 7234376, 7234377 via cif-deposit CGI script.	7234376.cif