Information card for entry 7231528

Structure parameters

• Formula: C39 H43 N9 O19 Zn2
• Calculated formula: C39 H43 N9 O19 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: 10.205 ± 0.0003 Å
• b: 14.3969 ± 0.0004 Å
• c: 16.594 ± 0.0004 Å
• α: 97.411 ± 0.002°
• β: 102.378 ± 0.002°
• γ: 105.892 ± 0.002°
• Cell volume: 2244.14 ± 0.11 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.15 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: 0.0463
• Residual factor for significantly intense reflections: 0.0342
• Weighted residual factors for significantly intense reflections: 0.0844
• Weighted residual factors for all reflections included in the refinement: 0.0909
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No