Information card for entry 7243977

Structure parameters

• Formula: C22 H20 Ca2 N4 O10
• Calculated formula: C22 H20 Ca2 N4 O10
• 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: 7.0098 ± 0.0002 Å
• b: 10.9304 ± 0.0003 Å
• c: 16.616 ± 0.0005 Å
• α: 92.618 ± 0.001°
• β: 99.659 ± 0.001°
• γ: 102.704 ± 0.001°
• Cell volume: 1219.82 ± 0.06 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: 0.0401
• Residual factor for significantly intense reflections: 0.0325
• Weighted residual factors for significantly intense reflections: 0.0777
• Weighted residual factors for all reflections included in the refinement: 0.0821
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No