Information card for entry 2007416

Structure parameters

• Formula: C36 H30 Br2.5 Cl1.5 O2 P2 Re
• Calculated formula: C36 H30 Br2.52 Cl1.52 O2 P2 Re
• Title of publication: Mixed-halide Complex <i>trans</i>-Tetrahalobis(triphenylphosphine oxide)rhenium(IV)
• Authors of publication: Harben, Spencer M.; Smith, Paul D.; Beddoes, Roy L.; Helliwell, Madeleine; Collison, David; Garner, C. David
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1998
• Journal volume: 54
• Journal issue: 7
• Pages of publication: 941 - 943
• a: 9.728 ± 0.002 Å
• b: 10.556 ± 0.002 Å
• c: 9.499 ± 0.003 Å
• α: 108.59 ± 0.02°
• β: 93.55 ± 0.02°
• γ: 102.414 ± 0.015°
• Cell volume: 893.9 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.056
• Residual factor for significantly intense reflections: 0.052
• Weighted residual factors for all reflections: 0.148
• Weighted residual factors for significantly intense reflections: 0.1411
• Goodness-of-fit parameter for all reflections: 1.095
• Goodness-of-fit parameter for significantly intense reflections: 1.084
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No