Crystallography Open Database

Information card for entry 4122661

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Coordinates	4122661.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C52 H84 As3 O3 S6 Yb3
Calculated formula	C52 H84 As3 O3 S6 Yb3
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	13.009 ± 0.003 Å
b	13.399 ± 0.003 Å
c	19.68 ± 0.004 Å
α	85.64 ± 0.03°
β	87.33 ± 0.03°
γ	69.09 ± 0.03°
Cell volume	3194.5 ± 1.4 Å³
Cell temperature	150.15 K
Ambient diffraction temperature	150.15 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0843
Residual factor for significantly intense reflections	0.0682
Weighted residual factors for significantly intense reflections	0.1675
Weighted residual factors for all reflections included in the refinement	0.1776
Goodness-of-fit parameter for all reflections included in the refinement	1.028
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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