Crystallography Open Database

Information card for entry 4122664

Preview

Coordinates	4122664.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C82 H129 As3 O3 S7 Sm4
Calculated formula	C82 H129 As3 O3 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	23.933 ± 0.005 Å
b	15.656 ± 0.003 Å
c	27.292 ± 0.006 Å
α	90°
β	102.18 ± 0.03°
γ	90°
Cell volume	9996 ± 4 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	0.0731
Residual factor for significantly intense reflections	0.0397
Weighted residual factors for significantly intense reflections	0.0571
Weighted residual factors for all reflections included in the refinement	0.0628
Goodness-of-fit parameter for all reflections included in the refinement	0.893
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4122664.html