Information card for entry 7701725

Structure parameters

• Formula: C62 H65 Cl5 Co Ir N5 O9 P3 Ru
• Calculated formula: C62 H65 Cl5 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: 13.4813 ± 0.0002 Å
• b: 29.6101 ± 0.0006 Å
• c: 16.4218 ± 0.0002 Å
• α: 90°
• β: 101.023 ± 0.0015°
• γ: 90°
• Cell volume: 6434.36 ± 0.18 ų
• Cell temperature: 99.9 ± 0.5 K
• Ambient diffraction temperature: 100.15 K
• Number of distinct elements: 9
• 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: 0.0496
• Residual factor for significantly intense reflections: 0.0392
• Weighted residual factors for significantly intense reflections: 0.0975
• Weighted residual factors for all reflections included in the refinement: 0.103
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No