Crystallography Open Database

Information card for entry 1518793

Preview

Coordinates	1518793.cif

Structure parameters

Formula	C42 H61 Mo2 O2 P3
Calculated formula	C42 H61 Mo2 O2 P3
SMILES	[Mo]12345(P([Mo]6789([P](C[P]1(C)C)(C)C)(C#[O])[cH]1[cH]6[cH]7[cH]8[cH]91)c1c(cc(cc1C(C)(C)C)C(C)(C)C)C(C)(C)C)(C#[O])[cH]1[cH]2[cH]3[cH]4[cH]51.Cc1ccccc1
Title of publication	Activity of Mo-Mo and Mo-P multiple bonds at the phosphinidene complex [Mo2Cp2{mu-P(2,4,6-C6H2tBu3)}(mu-CO)2] in reactions with isocyanides and phosphine ligands
Authors of publication	M. Angeles Alvareza; Inmaculada Amora; M. Esther Garciaa; Daniel Garcia-Vivoa; Miguel A. Ruiza; David Saeza; Hayrullo Hamidovb; John C. Jefferyb
Journal of publication	Inorganica Chimica Acta
Year of publication	2015
Journal volume	424
Pages of publication	103 - 115
a	9.053 ± 0.003 Å
b	24.543 ± 0.009 Å
c	18.662 ± 0.007 Å
α	90°
β	92.635 ± 0.006°
γ	90°
Cell volume	4142 ± 3 Å³
Cell temperature	253 ± 2 K
Ambient diffraction temperature	253 ± 2 K
Number of distinct elements	5
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	0.1258
Residual factor for significantly intense reflections	0.0515
Weighted residual factors for significantly intense reflections	0.0982
Weighted residual factors for all reflections included in the refinement	0.1303
Goodness-of-fit parameter for all reflections included in the refinement	1.037
Diffraction radiation probe	x-ray
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.	1518793.cif
133651	2015-03-08	cif/ Adding structures of 1518793 via cif-deposit CGI script.	1518793.cif