Crystallography Open Database

Information card for entry 1518799

Preview

Coordinates	1518799.cif

Structure parameters

Formula	C35 H39 F9 Mo2 N2 O7
Calculated formula	C35 H39 F9 Mo2 N2 O7
SMILES	[Mo]1234[Mo]([O]=C(O1)C(F)(F)F)(OC(=[O]2)C(F)(F)F)([O]=C(O3)C(F)(F)F)N(c1[n]4c(ccc1)c1c(cccc1C)C)c1c(cccc1C(C)C)C(C)C.O(CC)CC
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	10.7675 ± 0.0004 Å
b	22.9228 ± 0.001 Å
c	16.9966 ± 0.0007 Å
α	90°
β	107.327 ± 0.001°
γ	90°
Cell volume	4004.7 ± 0.3 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0311
Residual factor for significantly intense reflections	0.0262
Weighted residual factors for significantly intense reflections	0.0656
Weighted residual factors for all reflections included in the refinement	0.0684
Goodness-of-fit parameter for all reflections included in the refinement	1.052
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.	1518799.cif
133661	2015-03-08	cif/ Adding structures of 1518799 via cif-deposit CGI script.	1518799.cif