Information card for entry 4067332

Structure parameters

• Formula: C50 H41 Ir N4 O
• Calculated formula: C50 H36 Ir N4 O
• Title of publication: Reactivity Studies of Iridium(III) Porphyrins with Methanol in Alkaline Media
• Authors of publication: Cheung, Chi Wai; Fung, Hong Sang; Lee, Siu Yin; Qian, Ying Ying; Chan, Yun Wai; Chan, Kin Shing
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 6
• Pages of publication: 1343
• a: 29.141 ± 0.003 Å
• b: 16.9288 ± 0.0018 Å
• c: 10.1654 ± 0.001 Å
• α: 90°
• β: 109.59 ± 0.002°
• γ: 90°
• Cell volume: 4724.5 ± 0.8 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.0355
• Residual factor for significantly intense reflections: 0.0289
• Weighted residual factors for significantly intense reflections: 0.0759
• Weighted residual factors for all reflections included in the refinement: 0.0807
• Goodness-of-fit parameter for all reflections included in the refinement: 1.117
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No