Information card for entry 2008219

Structure parameters

• Formula: C6 H13 Ca2 N O11
• Calculated formula: C6 H13 Ca2 N O11
• Title of publication: Dicalcium triacetate nitrate dihydrate
• Authors of publication: Cooksey, Brian G.; Gibson, Lorraine T.; Kennedy, Alan R.; Littlejohn, David; Stewart, Lesley; Tennent, Norman H.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 3
• Pages of publication: 324 - 326
• a: 17.882 ± 0.005 Å
• b: 6.8049 ± 0.0009 Å
• c: 11.712 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1425.2 ± 0.9 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• 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: 0.085
• Residual factor for significantly intense reflections: 0.035
• Weighted residual factors for all reflections included in the refinement: 0.106
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No