Information card for entry 2007040

Structure parameters

• Chemical name: bis(triphenylphoshine)iminium tetrabromooxomolybdate(V)
• Formula: C36 H30 Br4 Mo N O P2
• Calculated formula: C36 H30 Br4 Mo N O P2
• Title of publication: Two Tetrahalooxomolybdate(V) Structures, [Ph~3~PNPPh~3~][MoOBr~4~] and [PPh~4~][MoOI~4~(H~2~ O)]
• Authors of publication: Fettinger, James C.; Mattamana, Sundeep P.; Poli, Rinaldo
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1998
• Journal volume: 54
• Journal issue: 2
• Pages of publication: 184 - 187
• a: 27.96 ± 0.003 Å
• b: 9.1643 ± 0.0008 Å
• c: 18.488 ± 0.002 Å
• α: 90°
• β: 131.137 ± 0.008°
• γ: 90°
• Cell volume: 3567.8 ± 0.8 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 7
• 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: 0.0419
• Residual factor for significantly intense reflections: 0.0291
• Weighted residual factors for all reflections: 0.0697
• Weighted residual factors for significantly intense reflections: 0.0651
• Goodness-of-fit parameter for all reflections: 1.115
• Goodness-of-fit parameter for significantly intense reflections: 1.15
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No