Information card for entry 7711202

Structure parameters

• Common name: (pipH)3[In6Cl6(4-Cl-pz)6(OH)6(OH0.5)2]
• Chemical name: (NC5H12)3[In6Cl6(C3N2H2Cl)6(OH)7(O)]
• Formula: C49 H91 Cl14 In6 N17 O10
• Calculated formula: C46 H85 Cl14 In6 N17 O9
• SMILES: [In]1234(Cl)[O]5[In]67(Cl)([OH][In]89(Cl)([OH]%10[In](Cl)([OH]1)([OH]2)(n1[n]8cc(Cl)c1)[n]1n([In]2%10(Cl)([OH][In]5(Cl)([OH]2)(n2[n]7cc(Cl)c2)[n]2n4cc(Cl)c2)[n]2n9cc(Cl)c2)cc(Cl)c1)[OH]6)n1[n]3cc(Cl)c1.[Cl-].[Cl-].O=C(C)C.[NH2+]1CCCCC1.[NH2+]1CCCCC1.[NH2+]1CCCCC1.[NH2+]1CCCCC1.[NH2+]1CCCCC1
• 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: 15.299 ± 0.003 Å
• b: 15.995 ± 0.003 Å
• c: 34.526 ± 0.006 Å
• α: 90°
• β: 93.324 ± 0.002°
• γ: 90°
• Cell volume: 8435 ± 3 ų
• Cell temperature: 296.15 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0492
• Residual factor for significantly intense reflections: 0.0338
• Weighted residual factors for significantly intense reflections: 0.0642
• Weighted residual factors for all reflections included in the refinement: 0.074
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No