Crystallography Open Database

Information card for entry 1517045

Preview

Coordinates	1517045.cif

Structure parameters

Chemical name	Hydroxonium Tetrakis(3-methyl-1-phenyl-4-formylpyrazole-5-onato)samarium(III)ate
Formula	C44 H41 N8 O10 Sm
Calculated formula	C44 H36 N8 O10 Sm
Title of publication	Anionic lanthanide complexes with 3-methyl-1-phenyl-4-formylpyrazole-5-one and hydroxonium as counter ion
Authors of publication	Victor F. Shul-gin; Oleg V. Konnik; Susana V. Abkhairova; Alexey N. Gusev; Svetlana B. Meshkova; Anna V. Kiriyak; Eduard B. Rusanov; Miki Hasegawa; Wolfgang Linert
Journal of publication	Inorganica Chimica Acta
Year of publication	2013
Journal volume	402
Pages of publication	33 - 38
a	16.2701 ± 0.0004 Å
b	16.2701 ± 0.0004 Å
c	16.1315 ± 0.0006 Å
α	90°
β	90°
γ	90°
Cell volume	4270.3 ± 0.2 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	120
Hermann-Mauguin space group symbol	I -4 c 2
Hall space group symbol	I -4 -2c
Residual factor for all reflections	0.0857
Residual factor for significantly intense reflections	0.0488
Weighted residual factors for significantly intense reflections	0.1147
Weighted residual factors for all reflections included in the refinement	0.1317
Goodness-of-fit parameter for all reflections included in the refinement	1.078
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
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1517045.cif
119954	2014-07-10	cif/ Adding structures of 1517045 via cif-deposit CGI script.	1517045.cif