Crystallography Open Database

Information card for entry 4334511

Preview

Coordinates	4334511.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C47 H38.9 N17.5 Nd2 O14.2
Calculated formula	C47 H34 N17.5 Nd2 O14.2
Title of publication	Dinuclear Lanthanide(III) Complexes by Metal-Ion-Assisted Hydration of Di-2-pyridyl Ketone Azine
Authors of publication	Nikolaos C. Anastasiadis; Carlos M. Granadeiro; Nikolaos Klouras; Luís Cunha-Silva; Catherine P. Raptopoulou; Vassilis Psycharis; Vlasoula Bekiari; Salete S. Balula; Albert Escuer; Spyros P. Perlepes
Journal of publication	Inorganic Chemistry
Year of publication	2013
Journal volume	52
Pages of publication	4145 - 4147
a	45.7579 ± 0.0008 Å
b	14.8658 ± 0.0003 Å
c	17.4 ± 0.0003 Å
α	90°
β	103.956 ± 0.001°
γ	90°
Cell volume	11486.6 ± 0.4 Å³
Cell temperature	160 ± 2 K
Ambient diffraction temperature	160 ± 2 K
Number of distinct elements	5
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	0.0578
Residual factor for significantly intense reflections	0.0544
Weighted residual factors for significantly intense reflections	0.1438
Weighted residual factors for all reflections included in the refinement	0.1472
Goodness-of-fit parameter for all reflections included in the refinement	1.033
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4334511.cif
100339	2014-02-04	cif/ Adding structures of 4334511 via cif-deposit CGI script.	4334511.cif