Information card for entry 7243973

Structure parameters

• Formula: C11 H10 Ca N2 O7
• Calculated formula: C11 H10 Ca N2 O7
• Title of publication: Ionothermal synthesis of calcium-based metal–organic frameworks in a deep eutectic solvent
• Authors of publication: Teixeira, Michaël; Maia, Renata A.; Karmazin, Lydia; Louis, Benoît; Baudron, Stéphane A.
• Journal of publication: CrystEngComm
• Year of publication: 2022
• Journal volume: 24
• Journal issue: 3
• Pages of publication: 601 - 608
• a: 8.4045 ± 0.001 Å
• b: 8.6975 ± 0.0009 Å
• c: 9.854 ± 0.0013 Å
• α: 64.455 ± 0.003°
• β: 86.316 ± 0.004°
• γ: 74.126 ± 0.004°
• Cell volume: 623.92 ± 0.13 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0904
• Residual factor for significantly intense reflections: 0.0637
• Weighted residual factors for significantly intense reflections: 0.168
• Weighted residual factors for all reflections included in the refinement: 0.1819
• Goodness-of-fit parameter for all reflections included in the refinement: 1.093
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No