Information card for entry 7231529

Structure parameters

• Formula: C32 H30 N4 O17 Zn2
• Calculated formula: C32 H30 N4 O17 Zn2
• Title of publication: Hybrid materials based on transition Metal-BTC-Benzimidazole: Solvent assisted crystallographic and structural switching
• Authors of publication: Behera, Jogendra Nath; Tiwari, Ranjay K.
• Journal of publication: CrystEngComm
• Year of publication: 2018
• a: 19.9133 ± 0.0004 Å
• b: 12.3389 ± 0.0004 Å
• c: 14.9402 ± 0.0003 Å
• α: 90°
• β: 111.332 ± 0.001°
• γ: 90°
• Cell volume: 3419.43 ± 0.15 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0285
• Residual factor for significantly intense reflections: 0.024
• Weighted residual factors for significantly intense reflections: 0.068
• Weighted residual factors for all reflections included in the refinement: 0.0703
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No