Information card for entry 1518709

Structure parameters

• Formula: Ca H21 N7 S6
• Calculated formula: Ca H21 N7 S6
• SMILES: [S-]SSSS[S-].[NH3][Ca]([NH3])([NH3])([NH3])([NH3])([NH3])[NH3]
• Title of publication: Crystal Structure of Calcium Heptaammine Hexasulfide, Ca(NH3)7S6
• Authors of publication: Schimek, George L.; Drake, Greg W.; Kolis, Joseph W.
• Journal of publication: Acta Chemica Scandinavica
• Year of publication: 1999
• Journal volume: 53
• Pages of publication: 145 - 148
• a: 12.143 ± 0.006 Å
• b: 11.815 ± 0.007 Å
• c: 11.505 ± 0.005 Å
• α: 90°
• β: 93.53 ± 0.04°
• γ: 90°
• Cell volume: 1647.5 ± 1.5 ų
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.0423
• Weighted residual factors for significantly intense reflections: 0.0412
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No