Information card for entry 8100719

Structure parameters

• Formula: C2 H10 Ca O6 S
• Calculated formula: C2 H10 Ca O6 S
• Title of publication: Crystal structure of tetra(aqua)(μ-2-mercaptoacetato-S,O,O)calcium, Ca(SCH~2~COO)(H~2~O)~4~
• Authors of publication: Guillaume, Bruno; Cendrowski-Guillaume, Sophie; Nierlich, Martine
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2002
• Journal volume: 217
• Journal issue: 3
• Pages of publication: 441 - 442
• a: 8.527 ± 0.0017 Å
• b: 10.986 ± 0.002 Å
• c: 16.328 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1529.6 ± 0.5 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No