Information card for entry 7243975

Structure parameters

• Formula: C28 H34 Ca2 N8 O17
• Calculated formula: C28 H34 Ca2 N8 O17
• 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: 10.628 ± 0.002 Å
• b: 13.31 ± 0.003 Å
• c: 13.741 ± 0.003 Å
• α: 79.741 ± 0.006°
• β: 73.155 ± 0.006°
• γ: 71.586 ± 0.005°
• Cell volume: 1757.1 ± 0.6 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.1592
• Residual factor for significantly intense reflections: 0.1062
• Weighted residual factors for significantly intense reflections: 0.2921
• Weighted residual factors for all reflections included in the refinement: 0.3345
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No