Crystallography Open Database

Information card for entry 1518806

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Coordinates	1518806.cif

Structure parameters

Formula	C43 H59 F9 Mo2 N2 O9
Calculated formula	C43 H59 F9 Mo2 N2 O9
Title of publication	Synthesis and structure of mixed carboxylate-aminopyridinate and -amidinate complexes of dimolybdenum and ditungsten
Authors of publication	Irene Mendoza; Natalia Curado; Mario Carrasco; Eleuterio Alvarez; Riccardo Peloso; Amor Rodriguez; Ernesto Carmona
Journal of publication	Inorganica Chimica Acta
Year of publication	2015
Journal volume	424
Pages of publication	120 - 128
a	32.864 ± 0.004 Å
b	16.0484 ± 0.0018 Å
c	18.474 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	9743.5 ± 1.9 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	60
Hermann-Mauguin space group symbol	P b c n
Hall space group symbol	-P 2n 2ab
Residual factor for all reflections	0.0826
Residual factor for significantly intense reflections	0.0628
Weighted residual factors for significantly intense reflections	0.1615
Weighted residual factors for all reflections included in the refinement	0.1754
Goodness-of-fit parameter for all reflections included in the refinement	1.076
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.	1518806.cif
133668	2015-03-08	cif/ Adding structures of 1518806 via cif-deposit CGI script.	1518806.cif