Information card for entry 2016137

Structure parameters

• Chemical name: Calcium chloride rhenate(VII) dihydrate
• Formula: Ca Cl H4 O6 Re
• Calculated formula: Ca Cl H4 O6 Re
• SMILES: O.[O-][Re](=O)(=O)=O.[Cl-].[Ca+2].O
• Title of publication: Calcium chloride rhenate(VII) dihydrate
• Authors of publication: Jarek, Urszula; Hołyńska, Małgorzata; Ślepokura, Katarzyna; Lis, Tadeusz
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 9
• Pages of publication: i77 - i79
• a: 7.009 ± 0.002 Å
• b: 14.148 ± 0.004 Å
• c: 6.656 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 660 ± 0.3 ų
• Cell temperature: 85 ± 2 K
• Ambient diffraction temperature: 85 ± 2 K
• Number of distinct elements: 5
• Space group number: 63
• Hermann-Mauguin space group symbol: C m c m
• Hall space group symbol: -C 2c 2
• Residual factor for all reflections: 0.0176
• Residual factor for significantly intense reflections: 0.0155
• Weighted residual factors for significantly intense reflections: 0.0368
• Weighted residual factors for all reflections included in the refinement: 0.0373
• Goodness-of-fit parameter for all reflections included in the refinement: 1.094
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes