Crystallography Open Database

Information card for entry 4329733

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Structure parameters

Formula	C35 H48 Mo2 N O2 P S
Calculated formula	C35 H48 Mo2 N O2 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	17.154 ± 0.005 Å
b	11.003 ± 0.005 Å
c	18.268 ± 0.005 Å
α	90 ± 0.005°
β	90.066 ± 0.005°
γ	90 ± 0.005°
Cell volume	3448 ± 2 Å³
Cell temperature	100 ± 0.1 K
Ambient diffraction temperature	100 ± 1 K
Number of distinct elements	7
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	0.0472
Residual factor for significantly intense reflections	0.0369
Weighted residual factors for significantly intense reflections	0.0819
Weighted residual factors for all reflections included in the refinement	0.0885
Goodness-of-fit parameter for all reflections included in the refinement	1.028
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
301838 (current)	2025-08-21	Add cross-references to PubChem compounds in COD range 4/32/ Each referenced PubChem compound corresponds to the full crystal structure.	4329733.cif
179400	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.	4329733.cif
78970	2013-04-03	cif/ Adding structures of 4329733 via cif-deposit CGI script.	4329733.cif