Crystallography Open Database

Information card for entry 4324686

Preview

Coordinates	4324686.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H35 Mo2 O2 P3
Calculated formula	C25 H35 Mo2 O2 P3
SMILES	[Mo]123456([P](C7CCCCC7)(C7CCCCC7)[Mo]789%10%11(P1[P]38C)(C#[O])[cH]1[cH]7[cH]%11[cH]%10[cH]91)(C#[O])[cH]1[cH]4[cH]5[cH]6[cH]21
Title of publication	Mild P4 Activation To Give an Anionic Diphosphorus Complex with a Dual Binding Ability at a Single P Site
Authors of publication	M. Angeles Alvarez; M. Esther García; Daniel García-Vivó; Alberto Ramos; Miguel A. Ruiz
Journal of publication	Inorganic Chemistry
Year of publication	2011
Journal volume	50
Pages of publication	2064 - 2066
a	14.6897 ± 0.0008 Å
b	13.9933 ± 0.0008 Å
c	13.1847 ± 0.0007 Å
α	90°
β	105.256 ± 0.002°
γ	90°
Cell volume	2614.7 ± 0.3 Å³
Cell temperature	100 ± 0.1 K
Ambient diffraction temperature	100 ± 0.1 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	0.0541
Residual factor for significantly intense reflections	0.0409
Weighted residual factors for significantly intense reflections	0.0848
Weighted residual factors for all reflections included in the refinement	0.0891
Goodness-of-fit parameter for all reflections included in the refinement	1.056
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
179349 (current)	2016-03-23	cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/46.	4324686.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4324686.cif
42915	2012-03-13	../uploads/cif-deposit/cod/cif Adding structures of 4324686 via cif-deposit CGI script.	4324686.cif