Information card for entry 7711198

Structure parameters

• Common name: mer-[InCl3(4-Br-pzH)3].(C3H6O)
• Chemical name: InCl3(N2C3BrH3)3
• Formula: C12 H15 Br3 Cl3 In N6 O
• Calculated formula: C9 H9 Br3 Cl3 In N6
• SMILES: [In](Cl)(Cl)(Cl)([n]1[nH]cc(Br)c1)([n]1[nH]cc(Br)c1)[n]1[nH]cc(Br)c1
• 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: 21.5137 ± 0.0018 Å
• b: 13.4766 ± 0.0011 Å
• c: 14.5898 ± 0.0012 Å
• α: 90°
• β: 103.642 ± 0.002°
• γ: 90°
• Cell volume: 4110.7 ± 0.6 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 K
• Number of distinct elements: 7
• 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: 0.0646
• Residual factor for significantly intense reflections: 0.0528
• Weighted residual factors for significantly intense reflections: 0.14
• Weighted residual factors for all reflections included in the refinement: 0.1517
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No