Crystallography Open Database

Information card for entry 7715875

Preview

Coordinates	7715875.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H23 Cs3 N3 O21 Sm
Calculated formula	C21 H23 Cs3 N3 O21 Sm
Title of publication	Contrasting impact of coordination polyhedra and site symmetry on the electronic energy levels in nine-coordinated Eu(III) and Sm(III) crystals structures determined from single crystal luminescence spectra.
Authors of publication	Mortensen, Sabina Svava; Nielsen, Villads R. M.; Sørensen, Thomas Just
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2024
Journal volume	53
Journal issue	24
Pages of publication	10079 - 10092
a	10.0017 ± 0.0013 Å
b	18.033 ± 0.003 Å
c	18.53 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	3342.1 ± 0.9 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	6
Space group number	20
Hermann-Mauguin space group symbol	C 2 2 21
Hall space group symbol	C 2c 2
Residual factor for all reflections	0.0284
Residual factor for significantly intense reflections	0.0244
Weighted residual factors for significantly intense reflections	0.0617
Weighted residual factors for all reflections included in the refinement	0.0637
Goodness-of-fit parameter for all reflections included in the refinement	1.068
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
293005 (current)	2024-07-05	cif/ Updating files of 7715871, 7715872, 7715873, 7715874, 7715875, 7715876, 7715877 Original log message: Adding full bibliography for 7715871--7715877.cif.	7715875.cif
291411	2024-04-30	cif/ Adding structures of 7715871, 7715872, 7715873, 7715874, 7715875, 7715876, 7715877 via cif-deposit CGI script.	7715875.cif