Information card for entry 7711195

Structure parameters

• Common name: mer-[InCl3(pzH)3]
• Chemical name: InCl3(C3N2H4)3
• Formula: C9 H12 Cl3 In N6
• Calculated formula: C9 H12 Cl3 In N6
• SMILES: [In](Cl)(Cl)(Cl)([n]1[nH]ccc1)([n]1[nH]ccc1)[n]1[nH]ccc1
• Title of publication: Mononuclear, hexanuclear and polymeric indium(iii) pyrazolido complexes; structural characterization, dynamic solution studies and luminescent properties
• Authors of publication: Herrera, Susana; Rivero, Kennett I.; Guzmán, Alexis; Cedeño, Jonathan; Miksovska, Jaroslava; Raptis, Raphael G.
• Journal of publication: Dalton Transactions
• Year of publication: 2022
• a: 8.6493 ± 0.0008 Å
• b: 14.1766 ± 0.0013 Å
• c: 12.8875 ± 0.0012 Å
• α: 90°
• β: 106.311 ± 0.003°
• γ: 90°
• Cell volume: 1516.6 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0216
• Residual factor for significantly intense reflections: 0.0181
• Weighted residual factors for significantly intense reflections: 0.0364
• Weighted residual factors for all reflections included in the refinement: 0.0378
• Goodness-of-fit parameter for all reflections included in the refinement: 1.161
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No