Crystallography Open Database

Information card for entry 4113078

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Coordinates	4113078.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H39 Mo O4 P
Calculated formula	C32 H39 Mo O4 P
Title of publication	Chemistry of the Phosphinidene Oxide Ligand
Authors of publication	María Alonso; M. Esther García; Miguel A. Ruiz; Hayrullo Hamidov; John C. Jeffery
Journal of publication	Journal of the American Chemical Society
Year of publication	2004
Journal volume	126
Pages of publication	13610 - 13611
a	17.1829 ± 0.0015 Å
b	13.0958 ± 0.0011 Å
c	27.663 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	6224.8 ± 0.9 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.1836
Residual factor for significantly intense reflections	0.0651
Weighted residual factors for significantly intense reflections	0.1084
Weighted residual factors for all reflections included in the refinement	0.1428
Goodness-of-fit parameter for all reflections included in the refinement	0.944
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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