Crystallography Open Database

Information card for entry 4113080

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Coordinates	4113080.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C31.5 H43 Mo O3 P
Calculated formula	C31.5 H39 Mo O3 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	9.2708 ± 0.0003 Å
b	12.0224 ± 0.0004 Å
c	14.3208 ± 0.0005 Å
α	84.894 ± 0.001°
β	77.062 ± 0.001°
γ	75.535 ± 0.001°
Cell volume	1505.4 ± 0.09 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0286
Residual factor for significantly intense reflections	0.0241
Weighted residual factors for significantly intense reflections	0.0594
Weighted residual factors for all reflections included in the refinement	0.0602
Goodness-of-fit parameter for all reflections included in the refinement	0.982
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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