Information card for entry 7021551

Structure parameters

• Formula: C54 H108 Bi4 I24 Na4 O18 Pt2
• Calculated formula: C45 H90 Bi4 I24 Na4 O15 Pt2
• SMILES: I[Bi]12(I)(I)[I][Pt]([I]1)([I]2)([I]1)([I]2)[I][Bi]12(I)(I)I.I[Bi]12(I)(I)[I][Pt]([I]1)([I]2)([I]1)([I]2)[I][Bi]12(I)(I)I.[Na]12([O]=C(C)C)([O]=C(C)C)([O]=C(C)C)[O](=C(C)C)[Na]34([O]1=C(C)C)([O]2=C(C)C)[O](=C(C)C)[Na]12([O]3=C(C)C)([O]4=C(C)C)[O](=C(C)C)[Na]([O]1=C(C)C)([O]2=C(C)C)([O]=C(C)C)([O]=C(C)C)[O]=C(C)C
• Title of publication: [PtBi2I12](2-): the first polyiodobismuthate containing an octahedral heterometallic unit.
• Authors of publication: Adonin, Sergey A.; Sokolov, Maxim N.; Smolentsev, Anton I.; Kozlova, Svetlana G.; Fedin, Vladimir P.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 27
• Pages of publication: 9818 - 9821
• a: 13.9687 ± 0.0009 Å
• b: 13.9687 ± 0.0009 Å
• c: 57.126 ± 0.008 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 9653.3 ± 1.6 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 155
• Hermann-Mauguin space group symbol: R 3 2 :H
• Hall space group symbol: R 3 2"
• Residual factor for all reflections: 0.0979
• Residual factor for significantly intense reflections: 0.0775
• Weighted residual factors for significantly intense reflections: 0.1885
• Weighted residual factors for all reflections included in the refinement: 0.2043
• Goodness-of-fit parameter for all reflections included in the refinement: 0.981
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No