Information card for entry 7217777

Structure parameters

• Common name: calciumMOF
• Formula: C14 H10 Ca O6
• Calculated formula: C14 H10 Ca O6
• Title of publication: Synthesis, structure and band gap energy of a series of thermostable alkaline earth metal based metal‒organic frameworks
• Authors of publication: Rao, Purna Chandra; K. S, Asha; Mandal, Sukhendu
• Journal of publication: CrystEngComm
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 39
• Pages of publication: 9320
• a: 5.6421 ± 0.0002 Å
• b: 28.9519 ± 0.0013 Å
• c: 7.8627 ± 0.0003 Å
• α: 90°
• β: 95.521 ± 0.002°
• γ: 90°
• Cell volume: 1278.41 ± 0.09 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0384
• Residual factor for significantly intense reflections: 0.0313
• Weighted residual factors for significantly intense reflections: 0.089
• Weighted residual factors for all reflections included in the refinement: 0.1035
• Goodness-of-fit parameter for all reflections included in the refinement: 1.138
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No