Crystallography Open Database

Information card for entry 7057545

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Coordinates	7057545.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H40 Cl Cu2 N7 O9
Calculated formula	C26 H40 Cl Cu2 N7 O9
Title of publication	A mixed phenoxo and end-on azide bridged dinuclear copper(ii) Schiff base complex: synthesis, structure, magnetic characterization and DFT study
Authors of publication	Khan, Samim; Herrero, Santiago; González-Prieto, Rodrigo; Drew, Michael. G. B.; Banerjee, Snehasis; Chattopadhyay, Shouvik
Journal of publication	New Journal of Chemistry
Year of publication	2018
Journal volume	42
Journal issue	16
Pages of publication	13512
a	15.2018 ± 0.0008 Å
b	15.3094 ± 0.0007 Å
c	15.7294 ± 0.001 Å
α	90°
β	116.762 ± 0.007°
γ	90°
Cell volume	3268.6 ± 0.4 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
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	0.1003
Residual factor for significantly intense reflections	0.0557
Weighted residual factors for significantly intense reflections	0.1118
Weighted residual factors for all reflections included in the refinement	0.1293
Goodness-of-fit parameter for all reflections included in the refinement	0.972
Diffraction radiation wavelength	0.71073 Å
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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