Information card for entry 7701723

Structure parameters

• Formula: C75 H90 Cl2 Co Ir N5 O9 P3 Ru
• Calculated formula: C69 H76 Cl2 Co Ir N5 O9 P3 Ru
• Title of publication: Iridium porphyrin complexes with μ-nitrido, hydroxo, hydrosulfido and alkynyl ligands.
• Authors of publication: So, Shiu-Chun; Cheung, Wai-Man; Chiu, Wai-Hang; de Vere-Tucker, Matthew; Sung, Herman H.-Y.; Williams, Ian D.; Leung, Wa-Hung
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 23
• Pages of publication: 8340 - 8349
• a: 13.0825 ± 0.0003 Å
• b: 13.85 ± 0.0005 Å
• c: 20.4656 ± 0.0005 Å
• α: 85.316 ± 0.002°
• β: 80.0763 ± 0.0019°
• γ: 78.87 ± 0.002°
• Cell volume: 3579.54 ± 0.18 ų
• Cell temperature: 99.9 ± 0.4 K
• Ambient diffraction temperature: 99.9 ± 0.4 K
• Number of distinct elements: 9
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0312
• Residual factor for significantly intense reflections: 0.0291
• Weighted residual factors for significantly intense reflections: 0.0763
• Weighted residual factors for all reflections included in the refinement: 0.0777
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No