Crystallography Open Database

Information card for entry 7052653

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Coordinates	7052653.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H52 Cu4 I4 S4
Calculated formula	C24 H52 Cu4 I4 S4
Title of publication	Effect of t-BuS vs. n-BuS on the topology, Cu⋯Cu distances and luminescence properties of 2D Cu4I4/RS(CH2)4SR metal‒organic frameworks
Authors of publication	Knorr, Michael; Guyon, Fabrice; Kubicki, Marek M.; Rousselin, Yoann; Aly, Shawkat M.; Harvey, Pierre D.
Journal of publication	New Journal of Chemistry
Year of publication	2011
Journal volume	35
Journal issue	6
Pages of publication	1184
a	20.5139 ± 0.0004 Å
b	12.3909 ± 0.0003 Å
c	15.0847 ± 0.0003 Å
α	90°
β	98.958 ± 0.001°
γ	90°
Cell volume	3787.55 ± 0.14 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	0.0479
Residual factor for significantly intense reflections	0.0396
Weighted residual factors for significantly intense reflections	0.0821
Weighted residual factors for all reflections included in the refinement	0.0859
Goodness-of-fit parameter for all reflections included in the refinement	1.162
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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