Information card for entry 7711200

Structure parameters

• Common name: (pipH)3[In6Cl6(Â?-4-Ph-pz)6(Â?-OH)6(Â?3-OH0.5)2]
• Chemical name: (NC5H12)3[In6Cl6(N2C9H7)6(OH)7O]
• Formula: C72 H91 Cl6 In6 N15 O9
• Calculated formula: C69 H85 Cl6 In6 N15 O8
• 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: 17.185 ± 0.002 Å
• b: 17.185 ± 0.002 Å
• c: 18.443 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 4716.9 ± 0.9 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 6
• Space group number: 176
• Hermann-Mauguin space group symbol: P 63/m
• Hall space group symbol: -P 6c
• Residual factor for all reflections: 0.0418
• Residual factor for significantly intense reflections: 0.0282
• Weighted residual factors for significantly intense reflections: 0.0631
• Weighted residual factors for all reflections included in the refinement: 0.0744
• Goodness-of-fit parameter for all reflections included in the refinement: 1.143
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No