Crystallography Open Database

Information card for entry 4347001

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Coordinates	4347001.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C1.5 H5 Cl2 Cu O1.5
Calculated formula	C1.5 H5 Cl2 Cu O1.5
Title of publication	Copper Chloride Catalysis: Do μ4-Oxido Copper Clusters Play a Significant Role?
Authors of publication	Becker, Sabine; Dürr, Maximilian; Miska, Andreas; Becker, Jonathan; Gawlig, Christopher; Behrens, Ulrich; Ivanović-Burmazović, Ivana; Schindler, Siegfried
Journal of publication	Inorganic chemistry
Year of publication	2016
Journal volume	55
Journal issue	8
Pages of publication	3759 - 3766
a	17.836 ± 0.004 Å
b	3.284 ± 0.0007 Å
c	9.593 ± 0.0019 Å
α	90°
β	93.88 ± 0.03°
γ	90°
Cell volume	560.6 ± 0.2 Å³
Cell temperature	190 ± 2 K
Ambient diffraction temperature	190 ± 2 K
Number of distinct elements	5
Space group number	12
Hermann-Mauguin space group symbol	C 1 2/m 1
Hall space group symbol	-C 2y
Residual factor for all reflections	0.0656
Residual factor for significantly intense reflections	0.0469
Weighted residual factors for significantly intense reflections	0.0987
Weighted residual factors for all reflections included in the refinement	0.1101
Goodness-of-fit parameter for all reflections included in the refinement	1.184
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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