Information card for entry 7008415

Structure parameters

• Formula: C16 H20 Ca N2 O6
• Calculated formula: C16 H20 Ca N2 O6
• Title of publication: Templated metal-organic frameworks: synthesis, structures, thermal properties and solid-state transformation of two novel calcium-adipate frameworks.
• Authors of publication: de Lill, Daniel T.; Bozzuto, Daniel J.; Cahill, Christopher L.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2005
• Journal issue: 12
• Pages of publication: 2111 - 2115
• a: 14.855 ± 0.002 Å
• b: 15.339 ± 0.003 Å
• c: 7.779 ± 0.0012 Å
• α: 90°
• β: 98.631 ± 0.006°
• γ: 90°
• Cell volume: 1752.5 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1121
• Residual factor for significantly intense reflections: 0.0503
• Weighted residual factors for significantly intense reflections: 0.073
• Weighted residual factors for all reflections included in the refinement: 0.0869
• Goodness-of-fit parameter for all reflections included in the refinement: 0.829
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No