Information card for entry 2223036

Structure parameters

• Chemical name: Diaquabis(1,10-phenanthroline)magnesium(II) dichromate(VI) 1,10-phenanthroline disolvate
• Formula: C48 H36 Cr2 Mg N8 O9
• Calculated formula: C48 H36 Cr2 Mg N8 O9
• SMILES: [O-][Cr](=O)(=O)O[Cr](=O)(=O)[O-].[Mg]12([OH2])([n]3cccc4c3c3[n]1cccc3cc4)([n]1cccc3c1c1[n]2cccc1cc3)[OH2].c1ccc2ccc3cccnc3c2n1.n1cccc2ccc3cccnc3c12
• Title of publication: Diaquabis(1,10-phenanthroline)magnesium dichromate(VI) 1,10-phenanthroline disolvate
• Authors of publication: Liu, Hai-Xing; Dong, Gui-Ying; Ma, Zhi-Hong; Cui, Guang-Hua
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 9
• Pages of publication: m1026
• a: 16.761 ± 0.003 Å
• b: 22.172 ± 0.004 Å
• c: 13.996 ± 0.003 Å
• α: 90°
• β: 123.49 ± 0.03°
• γ: 90°
• Cell volume: 4338 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0611
• Residual factor for significantly intense reflections: 0.0507
• Weighted residual factors for significantly intense reflections: 0.147
• Weighted residual factors for all reflections included in the refinement: 0.1551
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes