Information card for entry 7711201

Structure parameters

• Common name: (pipH)3[In6Cl6(?-pz)6(?-OH)6(?3-OH0.5)2]
• Chemical name: (NC5H12)3[In6Cl6N12C18H25O8]
• Formula: C36 H67 Cl6 In6 N15 O9
• Calculated formula: C36 H66.5 Cl6 In6 N15 O9
• SMILES: [In]1234(Cl)[OH]5[In]67(Cl)([OH][In]89(Cl)([O]%10[In](Cl)([OH]1)(O2)(n1[n]8ccc1)[n]1n([In]2%10(Cl)([OH][In]5(Cl)([OH]2)(n2[n]7ccc2)[n]2n4ccc2)[n]2n9ccc2)ccc1)[OH]6)n1[n]3ccc1.[NH2+]1CCCCC1.[NH2+]1CCCCC1.[NH2+]1CCCCC1.C(=O)(C)C
• 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: 18.801 ± 0.005 Å
• b: 19.503 ± 0.005 Å
• c: 20.281 ± 0.005 Å
• α: 114.005 ± 0.002°
• β: 91.512 ± 0.003°
• γ: 91.947 ± 0.003°
• Cell volume: 6783 ± 3 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0615
• Residual factor for significantly intense reflections: 0.0361
• Weighted residual factors for significantly intense reflections: 0.0753
• Weighted residual factors for all reflections included in the refinement: 0.0851
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No