Crystallography Open Database

Information card for entry 1518791

Preview

Coordinates	1518791.cif

Structure parameters

Formula	C35 H48 Mo2 N O2 P
Calculated formula	C35 H48 Mo2 N O2 P
SMILES	[Mo]12345(P(c6c(cc(cc6C(C)(C)C)C(C)(C)C)C(C)(C)C)[Mo]6789%10([cH]%11[cH]7[cH]%10[cH]9[cH]6%11)(C#[O])C2=[N]8C(C)(C)C)(C#[O])[cH]2[cH]3[cH]1[cH]4[cH]52
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	10.395 ± 0.002 Å
b	15.24 ± 0.003 Å
c	21.15 ± 0.004 Å
α	90°
β	93.2 ± 0.03°
γ	90°
Cell volume	3345.4 ± 1.1 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
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	0.0398
Residual factor for significantly intense reflections	0.0294
Weighted residual factors for significantly intense reflections	0.0629
Weighted residual factors for all reflections included in the refinement	0.0658
Goodness-of-fit parameter for all reflections included in the refinement	0.955
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.	1518791.cif
133649	2015-03-08	cif/ Adding structures of 1518791 via cif-deposit CGI script.	1518791.cif