Information card for entry 2005373

Structure parameters

• Chemical name: trans-dichlorotetra(pyridine)molybdenum(III) tribromide
• Formula: C20 H20 Br3 Cl2 Mo N4
• Calculated formula: C20 H20 Br3 Cl2 Mo N4
• SMILES: [Br-](Br)Br.[Mo]([n]1ccccc1)([n]1ccccc1)(Cl)(Cl)([n]1ccccc1)[n]1ccccc1
• Title of publication: <i>trans</i>-Dichlorotetrakis(pyridine-<i>N</i>)molybdenum(III) Tribromide
• Authors of publication: Rotar, R.; Leban, I.; Brenčič, J. V.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 9
• Pages of publication: 2155 - 2157
• a: 7.577 ± 0.001 Å
• b: 22.058 ± 0.003 Å
• c: 15.098 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2523.4 ± 0.6 ų
• Cell temperature: 293 ± 1 K
• Ambient diffraction temperature: 293 ± 1 K
• Number of distinct elements: 6
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.119
• Residual factor for significantly intense reflections: 0.0525
• Weighted residual factors for all reflections: 0.1327
• Weighted residual factors for significantly intense reflections: 0.1052
• Goodness-of-fit parameter for all reflections: 1.024
• Goodness-of-fit parameter for significantly intense reflections: 1.117
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No