Information card for entry 7700527

Structure parameters

• Formula: C60 H108 Bi9 Ir6 K3 N6 O24
• Calculated formula: C60 H108 Bi9 Ir6 K3 N6 O24
• Title of publication: [(η³-Bi₃)₂(IrCO)₆(μ₄-Bi)₃]^3-: a new archetype of a 15-vertex deltahedral hybrid from Bi_x^x--coordination aggregation of cationic [IrCO]⁺ units.
• Authors of publication: Li, Zhenyu; Liu, Caiping; Wu, Jie; Lin, Zian; Xu, Li
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 32
• Pages of publication: 12013 - 12017
• a: 18.559 ± 0.0009 Å
• b: 18.559 ± 0.0009 Å
• c: 52.256 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 15587.5 ± 1.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 167
• Hermann-Mauguin space group symbol: R -3 c :H
• Hall space group symbol: -R 3 2"c
• Residual factor for all reflections: 0.0533
• Residual factor for significantly intense reflections: 0.0493
• Weighted residual factors for significantly intense reflections: 0.139
• Weighted residual factors for all reflections included in the refinement: 0.1414
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No