Crystallography Open Database

Information card for entry 4329734

Preview

Coordinates	4329734.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H39 Mo2 O2 P S2
Calculated formula	C30 H39 Mo2 O2 P S2
SMILES	[Mo]12345([P]6(S1)S[Mo]1789%10%11%12%13%14([c]%156[cH]1[cH]7[cH]8[cH]9%15)[cH]1[c]%10([cH]%11[c]%12([cH]%13[c]%141C(C)(C)C)C(C)(C)C)C(C)(C)C)(C#[O])(C#[O])[cH]1[cH]5[cH]4[cH]3[cH]21
Title of publication	Dimolybdenum Cyclopentadienyl Complexes with Bridging Chalcogenophosphinidene Ligands
Authors of publication	Belén Alvarez; M. Angeles Alvarez; Inmaculada Amor; M. Esther García; Daniel García-Vivó; Jaime Suárez; Miguel A. Ruiz
Journal of publication	Inorganic Chemistry
Year of publication	2012
Journal volume	51
Pages of publication	7810 - 7824
a	9.5281 ± 0.0006 Å
b	12.5563 ± 0.001 Å
c	14.4321 ± 0.0011 Å
α	64.355 ± 0.008°
β	77.855 ± 0.006°
γ	87.777 ± 0.006°
Cell volume	1519 ± 0.2 Å³
Cell temperature	123 ± 0.1 K
Ambient diffraction temperature	123 ± 0.1 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1006
Residual factor for significantly intense reflections	0.079
Weighted residual factors for significantly intense reflections	0.1962
Weighted residual factors for all reflections included in the refinement	0.215
Goodness-of-fit parameter for all reflections included in the refinement	1.022
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
179400 (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 4/32/97.	4329734.cif
78971	2013-04-03	cif/ Adding structures of 4329734 via cif-deposit CGI script.	4329734.cif