Information card for entry 2106075

Structure parameters

• Chemical name: Ca (S O3) (H2 O)4
• Formula: Ca H8 O7 S
• Calculated formula: Ca O7 S
• SMILES: [Ca]123([OH2])([OH2])([OH2])([OH2])[O]4[Ca]56([OH2])([OH2])([OH2])([OH2])[O]1S1=[O]2[Ca]2([OH2])([OH2])([OH2])([OH2])([O]15)[O]3S4=[O]26.S(=O)([O-])[O-]
• Title of publication: How to avoid unneccessarily low symmetry in crystal structure determinations
• Authors of publication: Baur, W.H.; Tillmanns, E.
• Journal of publication: Acta Crystallographica B (39,1983-)
• Year of publication: 1986
• Journal volume: 42
• Pages of publication: 95 - 111
• a: 11.192 Å
• b: 11.192 Å
• c: 28.36 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 3076.47 ų
• Number of distinct elements: 4
• Space group number: 167
• Hermann-Mauguin space group symbol: R -3 c :H
• Hall space group symbol: -R 3 2"c
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No