Information card for entry 7231161

Structure parameters

• Formula: C22 H34 Co N2 O24 Zn2
• Calculated formula: C22 H34 Co N2 O24 Zn2
• Title of publication: Area negative thermal expansion in a mixed metal mixed organic MOF: “elevator-platform” mechanism induced by O‒H⋯O hydrogen bonding
• Authors of publication: Shrivastava, Ashutosh; Negi, Lalita; Das, Dinabandhu
• Journal of publication: CrystEngComm
• Year of publication: 2018
• Journal volume: 20
• Journal issue: 33
• Pages of publication: 4719
• a: 7.5544 ± 0.0004 Å
• b: 10.1904 ± 0.0005 Å
• c: 10.7369 ± 0.0005 Å
• α: 87.569 ± 0.002°
• β: 89.073 ± 0.002°
• γ: 83.151 ± 0.002°
• Cell volume: 819.86 ± 0.07 ų
• Cell temperature: 220 ± 2 K
• Ambient diffraction temperature: 220 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.025
• Residual factor for significantly intense reflections: 0.0233
• Weighted residual factors for significantly intense reflections: 0.0629
• Weighted residual factors for all reflections included in the refinement: 0.0638
• Goodness-of-fit parameter for all reflections included in the refinement: 1.086
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No