Information card for entry 7118700

Structure parameters

• Formula: C28 H32 Cl Ir N2
• Calculated formula: C28 H32 Cl Ir N2
• Title of publication: Photochemical water oxidation by cyclometalated iridium(iii) complexes: a mechanistic insight.
• Authors of publication: Mukhopadhyay, Sujay; Singh, Roop Shikha; Biswas, Arnab; Pandey, Daya Shankar
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2016
• Journal volume: 52
• Journal issue: 19
• Pages of publication: 3840 - 3843
• a: 8.4227 ± 0.0017 Å
• b: 11.622 ± 0.002 Å
• c: 13.821 ± 0.003 Å
• α: 100.173 ± 0.006°
• β: 98.473 ± 0.005°
• γ: 99.561 ± 0.007°
• Cell volume: 1291.2 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0255
• Residual factor for significantly intense reflections: 0.0208
• Weighted residual factors for significantly intense reflections: 0.05
• Weighted residual factors for all reflections included in the refinement: 0.0522
• Goodness-of-fit parameter for all reflections included in the refinement: 0.998
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No