Information card for entry 7711196

Structure parameters

• Common name: mer-[InCl3(4-Cl-pzH)3]
• Chemical name: InCl3(N2C3ClH3)3
• Formula: C9 H9 Cl6 In N6
• Calculated formula: C9 H9 Cl6 In N6
• SMILES: [In](Cl)(Cl)(Cl)([n]1[nH]cc(Cl)c1)([n]1[nH]cc(Cl)c1)[n]1[nH]cc(Cl)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: 6.8851 ± 0.0011 Å
• b: 10.5525 ± 0.0018 Å
• c: 12.437 ± 0.002 Å
• α: 78.541 ± 0.005°
• β: 89.43 ± 0.005°
• γ: 87.01 ± 0.005°
• Cell volume: 884.4 ± 0.3 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 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: 0.0259
• Residual factor for significantly intense reflections: 0.0238
• Weighted residual factors for significantly intense reflections: 0.054
• Weighted residual factors for all reflections included in the refinement: 0.0554
• Goodness-of-fit parameter for all reflections included in the refinement: 1.106
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No