Crystallography Open Database

Information card for entry 4306142

Preview

Coordinates	4306142.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C57 H45.5 N12 O3.25 Sm
Calculated formula	C57 H45 N12 O3.25 Sm
Title of publication	Near-Infrared Luminescence of Nine-Coordinate Neodymium Complexes with Benzimidazole-Substituted 8-Hydroxyquinolines
Authors of publication	Nail M. Shavaleev; Rosario Scopelliti; Frédéric Gumy; Jean-Claude G. Bünzli
Journal of publication	Inorganic Chemistry
Year of publication	2008
Journal volume	47
Pages of publication	9055 - 9068
a	11.928 ± 0.019 Å
b	12.587 ± 0.012 Å
c	18.504 ± 0.016 Å
α	79.31 ± 0.1°
β	75.36 ± 0.11°
γ	66.77 ± 0.09°
Cell volume	2459 ± 5 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1921
Residual factor for significantly intense reflections	0.0957
Weighted residual factors for significantly intense reflections	0.0854
Weighted residual factors for all reflections included in the refinement	0.1033
Goodness-of-fit parameter for all reflections included in the refinement	1.166
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4306142.html