Crystallography Open Database

Information card for entry 4335627

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Coordinates	4335627.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H54 Mo2 O2 P4
Calculated formula	C36 H54 Mo2 O2 P4
SMILES	[Mo]123456([P](C7CCCCC7)(C7CCCCC7)[Mo]789%10%11(P1P7[P]2(C1CCCCC1)C1CCCCC1)(C#[O])[cH]1[cH]8[cH]%11[cH]%10[cH]91)(C#[O])[cH]1[cH]4[cH]5[cH]6[cH]31
Title of publication	Reactivity of the Anionic Diphosphorus Complex [Mo2Cp2(μ-PCy2)(μ-κ2:κ2-P2)(CO)2]- toward Phosphorus- and Transition Metal-Based Electrophiles
Authors of publication	M. Angeles Alvarez; M. Esther García; Daniel García-Vivó; Raquel Lozano; Alberto Ramos; Miguel A. Ruiz
Journal of publication	Inorganic Chemistry
Year of publication	2013
Journal volume	52
Pages of publication	9005 - 9018
a	11.4768 ± 0.0002 Å
b	19.5895 ± 0.0003 Å
c	16.1293 ± 0.0002 Å
α	90°
β	98.104 ± 0.001°
γ	90°
Cell volume	3590.05 ± 0.09 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 ± 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	0.038
Residual factor for significantly intense reflections	0.0279
Weighted residual factors for significantly intense reflections	0.0653
Weighted residual factors for all reflections included in the refinement	0.0702
Goodness-of-fit parameter for all reflections included in the refinement	1.051
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179459 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/56.	4335627.cif
101562	2014-02-14	cif/ Adding structures of 4335627 via cif-deposit CGI script.	4335627.cif