Crystallography Open Database

Information card for entry 7217643

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Structure parameters

Formula	C58 H46 N3 O8 Sc
Calculated formula	C58 H46 N3 O8 Sc
Title of publication	Substituted naphtholates of rare earth metals as emissive materials
Authors of publication	Balashova, Tatyana V.; Belova, Nadezhda A.; Burin, Mikhail E.; Kuzyaev, Dmitry M.; Rumyantzev, Roman V.; Fukin, Georgii K.; Pushkarev, Anatoly P.; Ilichev, Vasily A.; Grishin, Ivan D.; Shestakov, Alexander F.; Bochkarev, Mikhail N.
Journal of publication	RSC Advances
Year of publication	2014
a	11.428 ± 0.0006 Å
b	14.9217 ± 0.0008 Å
c	15.1759 ± 0.0008 Å
α	110.823 ± 0.001°
β	95.98 ± 0.001°
γ	98.048 ± 0.001°
Cell volume	2361.6 ± 0.2 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	0.0747
Residual factor for significantly intense reflections	0.0571
Weighted residual factors for significantly intense reflections	0.1513
Weighted residual factors for all reflections included in the refinement	0.1627
Goodness-of-fit parameter for all reflections included in the refinement	1.058
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
301864 (current)	2025-08-22	Add cross-references to PubChem compounds in COD range 7/21/ Each referenced PubChem compound corresponds to the full crystal structure.	7217643.cif
180507	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/76.	7217643.cif
121784	2014-08-08	cif/ Adding structures of 7217641, 7217642, 7217643 via cif-deposit CGI script.	7217643.cif