Crystallography Open Database

Information card for entry 1565025

Preview

Coordinates	1565025.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H16 Cl2 Cu2 N10
Calculated formula	C24 H16 Cl2 Cu2 N10
SMILES	c1ccc2ccc3ccc[n]4c3c2[n]1[Cu]14([N](=N#N)[Cu]2([n]3cccc4ccc5ccc[n]2c5c34)([N]1=N#N)Cl)Cl
Title of publication	Structure, DFT studies, magnetism and biological activity of bis[(µ-azido)-chloro-(1,10-phenanthroline)-copper(II)] complex
Authors of publication	Hammud, Hassan H.; Kortz, Ulrich; Bhattacharya, Saurav; Demirdjian, Sally; Hariri, Essa; Isber, Samih; Sang Choi, Eun; Mirtamizdoust, Babak; Mroueh, Mohamad; Daher, Costantine F.
Journal of publication	Inorganica Chimica Acta
Year of publication	2020
Journal volume	506
Pages of publication	119533
a	7.5661 ± 0.0006 Å
b	14.7316 ± 0.0012 Å
c	10.6122 ± 0.0008 Å
α	90°
β	92.024 ± 0.004°
γ	90°
Cell volume	1182.11 ± 0.16 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	0.0434
Residual factor for significantly intense reflections	0.0357
Weighted residual factors for significantly intense reflections	0.0904
Weighted residual factors for all reflections included in the refinement	0.0948
Goodness-of-fit parameter for all reflections included in the refinement	1.063
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
270053 (current)	2021-10-21	cif/ Adding structures of 1565025 via cif-deposit CGI script.	1565025.cif