Crystallography Open Database

Information card for entry 1565636

Preview

Coordinates	1565636.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C54 H45 Cl2 Cu2 P3
Calculated formula	C54 H45 Cl2 Cu2 P3
SMILES	[Cu]1([Cl][Cu]([Cl]1)([P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1
Title of publication	Fluorescence of copper(I) and mixed valence copper(I/II) complexes with dipicolinic acid and their catalytic activity on catechol oxidation
Authors of publication	Moschovitis, K.; Banti, C.N.; Kourkoumelis, N.; Moushi, E.E.; Lazarides, T.; Hadjikakou, S.K.
Journal of publication	Inorganica Chimica Acta
Year of publication	2020
Journal volume	500
Pages of publication	119209
a	18.9026 ± 0.0006 Å
b	9.7615 ± 0.0003 Å
c	26.2615 ± 0.0009 Å
α	90°
β	109.512 ± 0.004°
γ	90°
Cell volume	4567.4 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0585
Residual factor for significantly intense reflections	0.0431
Weighted residual factors for significantly intense reflections	0.1099
Weighted residual factors for all reflections included in the refinement	0.1237
Goodness-of-fit parameter for all reflections included in the refinement	1.021
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
271309 (current)	2021-12-09	cif/ Adding structures of 1565634, 1565635, 1565636 via cif-deposit CGI script.	1565636.cif