Crystallography Open Database

Information card for entry 4302580

Preview

Coordinates	4302580.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H43 B F3 Mo N6 O2 P S
Calculated formula	C32 H43 B F3 Mo N6 O2 P S
Title of publication	Substituent Effect on Oxygen Atom Transfer Reactivity from Oxomolybdenum Centers: Synthesis, Structure, Electrochemistry, and Mechanism
Authors of publication	Partha Basu; Victor N. Nemykin; Raghvendra S. Sengar
Journal of publication	Inorganic Chemistry
Year of publication	2009
Journal volume	48
Pages of publication	6303 - 6313
a	28.649 ± 0.008 Å
b	11.032 ± 0.006 Å
c	26.998 ± 0.007 Å
α	90°
β	118.046 ± 0.018°
γ	90°
Cell volume	7531 ± 5 Å³
Cell temperature	298 K
Ambient diffraction temperature	298 K
Number of distinct elements	9
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.087
Residual factor for significantly intense reflections	0.067
Weighted residual factors for all reflections	0.1783
Weighted residual factors for significantly intense reflections	0.1651
Weighted residual factors for all reflections included in the refinement	0.1648
Goodness-of-fit parameter for all reflections included in the refinement	0.8661
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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