Information card for entry 4346672

Structure parameters

• Formula: C97 H65 Cd2 Cl2 F8 I6 Ir2 N12 O2
• Calculated formula: C97 H65 Cd2 Cl2 F8 I6 Ir2 N12 O2
• Title of publication: Molecular Tectonics: Design of Enantiopure Luminescent Heterometallic Ir(III)-Cd(II) Coordination Network.
• Authors of publication: Xu, Chaojie; Guenet, Aurélie; Kyritsakas, Nathalie; Planeix, Jean-Marc; Hosseini, Mir Wais
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 21
• Pages of publication: 10429 - 10439
• a: 15.0314 ± 0.0003 Å
• b: 33.2661 ± 0.0007 Å
• c: 11.2295 ± 0.0003 Å
• α: 90°
• β: 97.85 ± 0.0011°
• γ: 90°
• Cell volume: 5562.5 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 9
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0664
• Residual factor for significantly intense reflections: 0.0483
• Weighted residual factors for significantly intense reflections: 0.1434
• Weighted residual factors for all reflections included in the refinement: 0.1545
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No