Information card for entry 7117846

Structure parameters

• Formula: C97 H68 B2 Cl12 Cu F20 Ir2 N12 O P2
• Calculated formula: C97 H68 B2 Cl12 Cu F20 Ir2 N12 O P2
• Title of publication: Molecular tectonics: heterometallic (Ir,Cu) grid-type coordination networks based on cyclometallated Ir(III) chiral metallatectons
• Authors of publication: Chaojie Xu; Aurelie Guenet; Nathalie Kyritsakas; Jean-Marc Planeix; Mir Wais Hosseini
• Journal of publication: Chem.Commun.
• Year of publication: 2015
• Journal volume: 51
• Pages of publication: 14785
• a: 33.6718 ± 0.0017 Å
• b: 33.6481 ± 0.0016 Å
• c: 13.8979 ± 0.0006 Å
• α: 90°
• β: 110.279 ± 0.001°
• γ: 90°
• Cell volume: 14770.2 ± 1.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 10
• 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: 0.1251
• Residual factor for significantly intense reflections: 0.0737
• Weighted residual factors for significantly intense reflections: 0.1925
• Weighted residual factors for all reflections included in the refinement: 0.2082
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No