Crystallography Open Database

Information card for entry 7109781

Preview

Coordinates	7109781.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H30 Cu4 I4 S3
Calculated formula	C12 H30 Cu4 I4 S3
Title of publication	Formation of an unprecedented (CuBr)5 cluster and a zeolite-type 2D-coordination polymer: a surprising halide effect
Authors of publication	Antony Lapprand; Antoine Bonnot; Michael Knorr; Youann Rousselin; Marek M. Kubicki; Daniel Fortin
Journal of publication	Chem.Commun.
Year of publication	2013
Journal volume	49
Pages of publication	8848
a	14.2852 ± 0.0007 Å
b	11.1485 ± 0.0006 Å
c	21.5737 ± 0.0008 Å
α	90°
β	129.284 ± 0.002°
γ	90°
Cell volume	2659.4 ± 0.2 Å³
Cell temperature	115 ± 2 K
Ambient diffraction temperature	115 ± 2 K
Number of distinct elements	5
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	0.0719
Residual factor for significantly intense reflections	0.0412
Weighted residual factors for significantly intense reflections	0.0957
Weighted residual factors for all reflections included in the refinement	0.115
Goodness-of-fit parameter for all reflections included in the refinement	1.078
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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