Information card for entry 7708065

Structure parameters

• Formula: C34 H32 Cl Ir N2
• Calculated formula: C34 H32 Cl Ir N2
• SMILES: [Ir]12(Cl)([n]3c4c5c(ccc4ccc3CCCC)cccc25)[n]2c3c4c1cccc4ccc3ccc2CCCC
• Title of publication: Five-Coordinate Iridium(III) Complex with ΔΛ Chirality
• Authors of publication: Takimoto, Kazuyoshi; Watanabe, Yutaka; Yoshida, Jun; Sato, Hisako
• Journal of publication: Dalton Transactions
• Year of publication: 2021
• a: 9.4178 ± 0.0006 Å
• b: 11.1107 ± 0.0008 Å
• c: 14.0254 ± 0.0006 Å
• α: 79.931 ± 0.004°
• β: 79.001 ± 0.004°
• γ: 68.307 ± 0.006°
• Cell volume: 1329.82 ± 0.15 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0324
• Residual factor for significantly intense reflections: 0.0294
• Weighted residual factors for significantly intense reflections: 0.0721
• Weighted residual factors for all reflections included in the refinement: 0.0739
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No