Information card for entry 2207051

Structure parameters

• Chemical name: Diaquabis(1,10-phenanthroline-κ^2^N,N')cadmium(II) pentafluoride-oxide niobate
• Formula: C24 H20 Cd F5 N4 Nb O3
• Calculated formula: C24 H20 Cd F5 N4 Nb O3
• SMILES: [Nb](F)(F)(F)(F)(F)=O.[Cd]12([n]3cccc4c3c3[n]1cccc3cc4)([n]1cccc3c1c1[n]2cccc1cc3)([OH2])[OH2]
• Title of publication: Diaquabis(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')cadmium(II) pentafluorooxoniobate(V)
• Authors of publication: Zhu, Gang; Tang, Zongxun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 10
• Pages of publication: m2118 - m2120
• a: 9.487 ± 0.004 Å
• b: 11.537 ± 0.005 Å
• c: 13.007 ± 0.005 Å
• α: 99.162 ± 0.006°
• β: 109.646 ± 0.006°
• γ: 100.661 ± 0.005°
• Cell volume: 1279.4 ± 0.9 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0497
• Residual factor for significantly intense reflections: 0.0337
• Weighted residual factors for significantly intense reflections: 0.0805
• Weighted residual factors for all reflections included in the refinement: 0.0924
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes