Information card for entry 7711197

Structure parameters

• Common name: mer-[InCl3(4-I-pzH)3]
• Chemical name: InCl3(N2C3IH3)3
• Formula: C9 H9 Cl3 I3 In N6
• Calculated formula: C9 H9 Cl3 I3 In N6
• SMILES: Ic1c[n]([In](Cl)(Cl)(Cl)([n]2[nH]cc(I)c2)[n]2[nH]cc(I)c2)[nH]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: 21.9388 ± 0.0008 Å
• b: 13.6898 ± 0.0005 Å
• c: 14.7364 ± 0.0006 Å
• α: 90°
• β: 103.378 ± 0.001°
• γ: 90°
• Cell volume: 4305.8 ± 0.3 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273.15 K
• Number of distinct elements: 6
• 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: 0.0661
• Residual factor for significantly intense reflections: 0.0402
• Weighted residual factors for significantly intense reflections: 0.0648
• Weighted residual factors for all reflections included in the refinement: 0.0716
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No