Crystallography Open Database

Information card for entry 1518794

Preview

Coordinates	1518794.cif

Structure parameters

Formula	C35 H53 Mo2 O2 P3
Calculated formula	C35 H53 Mo2 O2 P3
SMILES	[Mo]12345(P(c6c(cc(cc6C(C)(C)C)C(C)(C)C)C(C)(C)C)[Mo]6789(C#[O])(C#[O])[cH]%10[cH]6[cH]7[cH]9[cH]8%10)([P](C[P]2(C)C)(C)C)[cH]2[cH]4[cH]5[cH]1[cH]32
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	20.941 ± 0.006 Å
b	11.484 ± 0.003 Å
c	15.253 ± 0.004 Å
α	90°
β	98.568 ± 0.007°
γ	90°
Cell volume	3627.2 ± 1.7 Å³
Cell temperature	120 ± 0.1 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.088
Residual factor for significantly intense reflections	0.0637
Weighted residual factors for significantly intense reflections	0.1858
Weighted residual factors for all reflections included in the refinement	0.1968
Goodness-of-fit parameter for all reflections included in the refinement	1.078
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
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.	1518794.cif
133652	2015-03-08	cif/ Adding structures of 1518794 via cif-deposit CGI script.	1518794.cif