Information card for entry 2223192

Structure parameters

• Chemical name: Difluoridodioxido(1,10-phenanthroline)molybdenum(VI)
• Formula: C12 H8 F2 Mo N2 O2
• Calculated formula: C12 H8 F2 Mo N2 O2
• SMILES: [Mo]1(F)(F)(=O)(=O)[n]2cccc3c2c2[n]1cccc2cc3
• Title of publication: Difluoridodioxido(1,10-phenanthroline)molybdenum(VI)
• Authors of publication: Wang, Wenju; Zhang, Youdi; Jin, Xiangjun; Du, Xiguang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 9
• Pages of publication: m1094
• a: 7.519 ± 0.0009 Å
• b: 17.818 ± 0.002 Å
• c: 9.5331 ± 0.0011 Å
• α: 90°
• β: 110.856 ± 0.001°
• γ: 90°
• Cell volume: 1193.5 ± 0.2 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Cell measurement pressure: 101 kPa
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0243
• Residual factor for significantly intense reflections: 0.0221
• Weighted residual factors for significantly intense reflections: 0.0636
• Weighted residual factors for all reflections included in the refinement: 0.065
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes