Crystallography Open Database

Information card for entry 4115326

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Coordinates	4115326.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17 H41 Mo N P4
Calculated formula	C17 H41 Mo N P4
Title of publication	The Reactivity of Mo(PMe3)6 towards Heterocyclic Nitrogen Compounds: Transformations Relevant to Hydrodenitrogenation
Authors of publication	Guang Zhu; Joseph M. Tanski; David G. Churchill; Kevin E. Janak; Gerard Parkin
Journal of publication	Journal of the American Chemical Society
Year of publication	2002
Journal volume	124
Pages of publication	13658 - 13659
a	15.8105 ± 0.0019 Å
b	31.466 ± 0.004 Å
c	10.2786 ± 0.0012 Å
α	90°
β	90°
γ	90°
Cell volume	5113.5 ± 1.1 Å³
Cell temperature	243 ± 2 K
Ambient diffraction temperature	243 ± 2 K
Number of distinct elements	5
Space group number	56
Hermann-Mauguin space group symbol	P c c n
Hall space group symbol	-P 2ab 2ac
Residual factor for all reflections	0.071
Residual factor for significantly intense reflections	0.0415
Weighted residual factors for significantly intense reflections	0.1329
Weighted residual factors for all reflections included in the refinement	0.1529
Goodness-of-fit parameter for all reflections included in the refinement	1.004
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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