Information card for entry 7036483

Structure parameters

• Formula: C63 H45 Cl2 Ir N10 O3
• Calculated formula: C63 H45 Cl2 Ir N10 O3
• Title of publication: NIR-emissive iridium(iii) corrole complexes as efficient singlet oxygen sensitizers.
• Authors of publication: Sinha, Woormileela; Ravotto, Luca; Ceroni, Paola; Kar, Sanjib
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 40
• Pages of publication: 17767 - 17773
• a: 17.082 ± 0.005 Å
• b: 16.003 ± 0.005 Å
• c: 22.903 ± 0.006 Å
• α: 90°
• β: 107.572 ± 0.005°
• γ: 90°
• Cell volume: 5969 ± 3 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1023
• Residual factor for significantly intense reflections: 0.0557
• Weighted residual factors for significantly intense reflections: 0.1282
• Weighted residual factors for all reflections included in the refinement: 0.1387
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No