Information card for entry 2208779

Structure parameters

• Chemical name: Diaquabis(1,10-phenanthroline-κ^2^N,N')manganese(II) pentafluorooxoniobate
• Formula: C24 H20 F5 Mn N4 Nb O3
• Calculated formula: C24 H20 F5 Mn N4 Nb O3
• SMILES: [Nb](F)(F)(F)(F)(F)=O.[Mn]12([n]3cccc4ccc5ccc[n]1c5c34)([n]1cccc3ccc4ccc[n]2c4c13)([OH2])[OH2]
• Title of publication: Diaquabis(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')manganese(II) pentafluorooxoniobate(V)
• Authors of publication: Zhu, Gang; Tang, Zong-Xun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 5
• Pages of publication: m1018 - m1020
• a: 9.6242 ± 0.0004 Å
• b: 11.3971 ± 0.0005 Å
• c: 13.0605 ± 0.0005 Å
• α: 72.341 ± 0.002°
• β: 70.054 ± 0.003°
• γ: 79.686 ± 0.003°
• Cell volume: 1278.62 ± 0.1 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 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: 0.0504
• Residual factor for significantly intense reflections: 0.0333
• Weighted residual factors for significantly intense reflections: 0.0866
• Weighted residual factors for all reflections included in the refinement: 0.0922
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes