Information card for entry 7701823

Structure parameters

• Chemical name: 2,4-Bis(4,5,6,7-tetrahydroindazol-2-yl)-6H-1,3,5-triazinedichloroform solvate
• Formula: C19 H21 Cl6 N7
• Calculated formula: C19 H21 Cl6 N7
• Title of publication: Molecular Squares, Coordination Polymers and Mononuclear Complexes Supported by 2,4-Dipyrazolyl-6H-1,3,5-triazine and 4,6-Dipyrazolylpyrimidine Ligands
• Authors of publication: Capel Berdiell, Izar; Farmiloe, Sarah E.; Kulmaczewski, Rafal; Halcrow, Malcolm
• Journal of publication: Dalton Transactions
• Year of publication: 2019
• a: 9.3073 ± 0.0003 Å
• b: 11.303 ± 0.0003 Å
• c: 23.5856 ± 0.0008 Å
• α: 88.648 ± 0.002°
• β: 86.046 ± 0.003°
• γ: 87.961 ± 0.002°
• Cell volume: 2473.19 ± 0.13 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1008
• Residual factor for significantly intense reflections: 0.0766
• Weighted residual factors for significantly intense reflections: 0.195
• Weighted residual factors for all reflections included in the refinement: 0.2201
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No