Information card for entry 4339847

Structure parameters

• Common name: CALCIUM-5-AMINOISOPHTHALATE
• Formula: C8 H15.67 Ca N O9.33
• Calculated formula: C8 H11 Ca N O9.33333
• Title of publication: A double helix is the repeating unit in a luminescent calcium 5-aminoisophthalate supramolecular edifice with water-filled hexagonal channels.
• Authors of publication: Murugavel, Ramaswamy; Kumar, Parimal; Walawalkar, Mrinalini G.; Mathialagan, Ramyaa
• Journal of publication: Inorganic chemistry
• Year of publication: 2007
• Journal volume: 46
• Journal issue: 17
• Pages of publication: 6828 - 6830
• a: 23.7031 ± 0.0005 Å
• b: 23.7031 ± 0.0005 Å
• c: 13.275 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 6459.2 ± 0.2 ų
• Cell temperature: 151 ± 2 K
• Ambient diffraction temperature: 151 ± 2 K
• Number of distinct elements: 5
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.1118
• Residual factor for significantly intense reflections: 0.0842
• Weighted residual factors for significantly intense reflections: 0.2605
• Weighted residual factors for all reflections included in the refinement: 0.2927
• Goodness-of-fit parameter for all reflections included in the refinement: 1.157
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No