Crystallography Open Database

Information card for entry 4122659

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Coordinates	4122659.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C92 H164 Cu4 O6 S6 Sm4
Calculated formula	C92 H164 Cu4 O6 S6 Sm4
Title of publication	Realgar as a Building Block for Lanthanide Clusters: Encapsulation of a Copper Cluster by a Lanthanide Cluster.
Authors of publication	Arleth, Nicholas; Bestgen, Sebastian; Gamer, Michael T.; Roesky, Peter W.
Journal of publication	Journal of the American Chemical Society
Year of publication	2014
Journal volume	136
Journal issue	40
Pages of publication	14023
a	37.246 ± 0.0007 Å
b	38.9864 ± 0.0006 Å
c	13.6966 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	19888.7 ± 0.7 Å³
Cell temperature	100.15 K
Ambient diffraction temperature	100.15 K
Number of distinct elements	6
Space group number	43
Hermann-Mauguin space group symbol	F d d 2
Hall space group symbol	F 2 -2d
Residual factor for all reflections	0.0417
Residual factor for significantly intense reflections	0.0375
Weighted residual factors for significantly intense reflections	0.0911
Weighted residual factors for all reflections included in the refinement	0.093
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	Yes
Has F_obs	No

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