Information card for entry 1543367

Structure parameters

• Chemical name: Octaamminecalcium dichloride
• Formula: Ca Cl2 H24 N8
• Calculated formula: Ca Cl2 H24 N8
• SMILES: [Ca]([NH3])([NH3])([NH3])([NH3])([NH3])([NH3])[NH3].[Cl-].[Cl-].N
• Title of publication: Calcium octaammine dichloride
• Authors of publication: Kishida, Yoshihiro; Aoki, Masakazu
• Journal of publication: IUCrData
• Year of publication: 2016
• Journal volume: 1
• Journal issue: 5
• Pages of publication: x160835
• a: 12.0924 ± 0.0002 Å
• b: 7.3293 ± 0.0001 Å
• c: 15.1975 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1346.94 ± 0.03 ų
• Cell temperature: 301 K
• Ambient diffraction temperature: 301 K
• Number of distinct elements: 4
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0295
• RFsqd: 0.02947
• Residual factor R(I) for significantly intense reflections: 0.03926
• Goodness-of-fit parameter for all reflections: 1.186
• Method of determination: powder diffraction
• Diffraction radiation wavelength: 0.99958 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes