Crystallography Open Database

Information card for entry 7234377

Preview

Coordinates	7234377.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	[CuL26a(EtOH)]2CHCl3
Formula	C30 H32 Cl6 Cu N4 O7
Calculated formula	C30 H32 Cl6 Cu N4 O7
SMILES	C1(=C(C=[N]2c3cc4c(cc3[N]3[Cu]2(O1)(OC(=C(C=3)C(=O)OCC)C)[OH]CC)nc1c(cccc1)n4)C(=O)OCC)C.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl
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	8.651 ± 0.001 Å
b	11.798 ± 0.002 Å
c	18.199 ± 0.003 Å
α	71.833 ± 0.011°
β	86.734 ± 0.012°
γ	88.122 ± 0.012°
Cell volume	1761.8 ± 0.5 Å³
Cell temperature	133 ± 2 K
Ambient diffraction temperature	133 ± 2 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	0.1779
Residual factor for significantly intense reflections	0.1176
Weighted residual factors for significantly intense reflections	0.2963
Weighted residual factors for all reflections included in the refinement	0.3478
Goodness-of-fit parameter for all reflections included in the refinement	0.988
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.	7234377.cif