Information card for entry 7243974

Structure parameters

• Formula: C14 H16 Ca N4 O8
• Calculated formula: C14 H16 Ca N4 O8
• 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: 17.7069 ± 0.0008 Å
• b: 10.4537 ± 0.0008 Å
• c: 9.3801 ± 0.0006 Å
• α: 90°
• β: 92.379 ± 0.004°
• γ: 90°
• Cell volume: 1734.78 ± 0.19 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0419
• Residual factor for significantly intense reflections: 0.0367
• Weighted residual factors for significantly intense reflections: 0.094
• Weighted residual factors for all reflections included in the refinement: 0.0982
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No