Crystallography Open Database

Information card for entry 4325263

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Coordinates	4325263.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H26 Br F6 Mo N5 O P
Calculated formula	C20 H26 Br F6 Mo N5 O P
Title of publication	Topological Variations of the PDP Ligand and Its Prospects in Molybdenum(0) Dearomatization Agents
Authors of publication	Benjamin K. Liebov; Caitlin E. Weigle; Kyle V. Keinath; Jennifer E. Leap; Robert D. Pike; Joseph M. Keane
Journal of publication	Inorganic Chemistry
Year of publication	2011
Journal volume	50
Pages of publication	4677 - 4679
a	13.6152 ± 0.0008 Å
b	15.1169 ± 0.001 Å
c	12.6036 ± 0.0008 Å
α	90°
β	90°
γ	90°
Cell volume	2594.1 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	8
Space group number	18
Hermann-Mauguin space group symbol	P 21 21 2
Hall space group symbol	P 2 2ab
Residual factor for all reflections	0.0594
Residual factor for significantly intense reflections	0.0479
Weighted residual factors for significantly intense reflections	0.1158
Weighted residual factors for all reflections included in the refinement	0.1291
Goodness-of-fit parameter for all reflections included in the refinement	1.079
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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