Information card for entry 7231526

Structure parameters

• Formula: C20 H23 N3 O7 Zn
• Calculated formula: C20 H23 N3 O7 Zn
• 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: 15.6345 ± 0.0008 Å
• b: 11.2144 ± 0.0005 Å
• c: 12.7553 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2236.41 ± 0.18 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0262
• Residual factor for significantly intense reflections: 0.0237
• Weighted residual factors for significantly intense reflections: 0.0636
• Weighted residual factors for all reflections included in the refinement: 0.0653
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No