Crystallography Open Database

Information card for entry 4329730

Preview

Coordinates	4329730.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H46 Mo2 O3 P S
Calculated formula	C34 H46 Mo2 O3 P S
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	10.678 ± 0.003 Å
b	11.279 ± 0.003 Å
c	14.708 ± 0.004 Å
α	94.632 ± 0.005°
β	104.006 ± 0.004°
γ	97.96 ± 0.004°
Cell volume	1690.1 ± 0.8 Å³
Cell temperature	100 ± 0.1 K
Ambient diffraction temperature	100 ± 2 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	0.0377
Residual factor for significantly intense reflections	0.0288
Weighted residual factors for significantly intense reflections	0.0674
Weighted residual factors for all reflections included in the refinement	0.0704
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	Yes
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.	4329730.cif
78967	2013-04-03	cif/ Adding structures of 4329730 via cif-deposit CGI script.	4329730.cif