Information card for entry 7243976

Structure parameters

• Formula: C11 H10 Ca N2 O5
• Calculated formula: C11 H10 Ca N2 O5
• 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: 6.7109 ± 0.0003 Å
• b: 10.271 ± 0.0004 Å
• c: 17.775 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1225.19 ± 0.09 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0688
• Residual factor for significantly intense reflections: 0.0594
• Weighted residual factors for significantly intense reflections: 0.1396
• Weighted residual factors for all reflections included in the refinement: 0.1436
• Goodness-of-fit parameter for all reflections included in the refinement: 1.199
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No