Crystallography Open Database

Information card for entry 4316849

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Coordinates	4316849.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Cl2 Cu5 O12 Se4
Calculated formula	Cl2 Cu5 O12 Se4
Title of publication	Synthesis, Crystal Structure, and Magnetic Properties of the Copper Selenite Chloride Cu5(SeO3)4Cl2
Authors of publication	Dong Zhang; Helmuth Berger; Reinhard K. Kremer; Dirk Wulferding; Peter Lemmens; Mats Johnsson
Journal of publication	Inorganic Chemistry
Year of publication	2010
Journal volume	49
Pages of publication	9683 - 9688
a	10.9104 ± 0.0008 Å
b	8.3134 ± 0.0006 Å
c	7.549 ± 0.0005 Å
α	90°
β	90.715 ± 0.006°
γ	90°
Cell volume	684.66 ± 0.08 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0427
Residual factor for significantly intense reflections	0.0383
Weighted residual factors for significantly intense reflections	0.0904
Weighted residual factors for all reflections included in the refinement	0.0924
Goodness-of-fit parameter for all reflections included in the refinement	1.009
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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