Information card for entry 1001003

Structure parameters

• Chemical name: Calcium nitrate hydrate (1/2/1.2)
• Formula: Ca H2.47 N2 O7.235
• Calculated formula: Ca H2.88235 N2 O7.23294
• Title of publication: Structure cristalline d un nouvel hydrate du nitrate de calcium Ca (N O~3~)~2~ (H~2~ O)~1.235~
• Authors of publication: Leclaire, A
• Journal of publication: Acta Crystallographica B (24,1968-38,1982)
• Year of publication: 1976
• Journal volume: 32
• Pages of publication: 1950 - 1953
• a: 13.226 ± 0.002 Å
• b: 13.226 ± 0.002 Å
• c: 32.37 ± 0.02 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 4903.8 ų
• Number of distinct elements: 4
• Space group number: 176
• Hermann-Mauguin space group symbol: P 63/m
• Hall space group symbol: -P 6c
• Residual factor for all reflections: 0.039
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No