Crystallography Open Database

Information card for entry 4105515

Preview

Coordinates	4105515.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C231 H215 N27 Na Nd17 Se34
Calculated formula	C231 H215 N27 Na Nd17 Se34
Title of publication	Lanthanide Clusters with Chalcogen Encapsulated Ln: NIR Emission from Nanoscale NdSex
Authors of publication	Brian F. Moore; G. Ajith Kumar; Mei-Chee Tan; Jesse Kohl; Richard E. Riman; Mikhail G. Brik; Thomas J. Emge; John G. Brennan
Journal of publication	Journal of the American Chemical Society
Year of publication	2011
Journal volume	133
Pages of publication	373 - 378
a	22.4939 ± 0.0013 Å
b	41.963 ± 0.002 Å
c	30.9247 ± 0.0017 Å
α	90°
β	108.129 ± 0.001°
γ	90°
Cell volume	27741 ± 3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0828
Residual factor for significantly intense reflections	0.0516
Weighted residual factors for significantly intense reflections	0.1425
Weighted residual factors for all reflections included in the refinement	0.1544
Goodness-of-fit parameter for all reflections included in the refinement	1.075
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/4105515.html