Crystallography Open Database

Information card for entry 4122660

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Coordinates	4122660.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C86 H137 As3 O4 S7 Sm4
Calculated formula	C86 H137 As3 O4 S7 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	18.1249 ± 0.0004 Å
b	25.8707 ± 0.0004 Å
c	20.4267 ± 0.0004 Å
α	90°
β	95.652 ± 0.002°
γ	90°
Cell volume	9531.6 ± 0.3 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0335
Residual factor for significantly intense reflections	0.0285
Weighted residual factors for significantly intense reflections	0.0654
Weighted residual factors for all reflections included in the refinement	0.0677
Goodness-of-fit parameter for all reflections included in the refinement	1.045
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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