Information card for entry 2238327

Structure parameters

• Chemical name: Calcium hexakis(dihydrogenphosphito)stannate(IV), Ca[Sn(H~2~PO~2~)~6~], with some remarks on the so-called Ge~2~(H~2~PO~2~)~6~ structure type
• Formula: Ca H12 O12 P6 Sn
• Calculated formula: Ca H12 O12 P6 Sn
• SMILES: [Ca+2].O=[PH2]O[Sn](O[PH2]=O)(O[PH2]=O)(O[PH2]=O)(O[PH2]=O)O[PH2]=O
• Title of publication: Calcium hexakis(dihydrogenphosphito)stannate(IV), Ca[Sn(H~2~PO~2~)~6~], with some remarks on the so-called Ge~2~(H~2~PO~2~)~6~ structure type
• Authors of publication: Gieschen, Tobias; Reuter, Hans
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 8
• Pages of publication: i44
• a: 11.8619 ± 0.0004 Å
• b: 11.8619 ± 0.0004 Å
• c: 9.8668 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 1202.31 ± 0.08 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0214
• Residual factor for significantly intense reflections: 0.02
• Weighted residual factors for significantly intense reflections: 0.057
• Weighted residual factors for all reflections included in the refinement: 0.0575
• Goodness-of-fit parameter for all reflections included in the refinement: 1.207
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes