Information card for entry 7128883

Structure parameters

• Formula: C113 H93 F18 Ir3 N17 O11 P3
• Calculated formula: C113 H93 F18 Ir3 N17 O11 P3
• Title of publication: An Ir₃L₂ complex with anion binding pockets: photocatalytic <i>E</i>-<i>Z</i> isomerization <i>via</i> molecular recognition.
• Authors of publication: Sunohara, Haruka; Koyamada, Kenta; Takezawa, Hiroki; Fujita, Makoto
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2021
• Journal volume: 57
• Journal issue: 73
• Pages of publication: 9300 - 9302
• a: 15.67351 ± 0.00012 Å
• b: 34.78 ± 0.0003 Å
• c: 21.94284 ± 0.00018 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 11961.6 ± 0.17 ų
• Cell temperature: 100.01 ± 0.1 K
• Ambient diffraction temperature: 100.01 ± 0.1 K
• Number of distinct elements: 7
• Space group number: 20
• Hermann-Mauguin space group symbol: C 2 2 21
• Hall space group symbol: C 2c 2
• Residual factor for all reflections: 0.0346
• Residual factor for significantly intense reflections: 0.031
• Weighted residual factors for significantly intense reflections: 0.079
• Weighted residual factors for all reflections included in the refinement: 0.0804
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No