Information card for entry 7046571

Structure parameters

• Formula: C113 H98 B F4 Ir3 O2 P6
• Calculated formula: C113 H90 B F4 Ir3 O2 P6
• Title of publication: Synthesis of di- and trinuclear iridium polyhydride complexes surrounded by light-absorbing ligands.
• Authors of publication: Shitaya, Shoji; Nomura, Kotohiro; Inagaki, Akiko
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 35
• Pages of publication: 12046 - 12050
• a: 15.1654 ± 0.001 Å
• b: 25.1723 ± 0.0016 Å
• c: 25.6917 ± 0.0018 Å
• α: 90°
• β: 99.7007 ± 0.0017°
• γ: 90°
• Cell volume: 9667.5 ± 1.1 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 K
• Number of distinct elements: 7
• 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: 0.0394
• Residual factor for significantly intense reflections: 0.0344
• Weighted residual factors for significantly intense reflections: 0.0892
• Weighted residual factors for all reflections included in the refinement: 0.0903
• Goodness-of-fit parameter for all reflections included in the refinement: 1.112
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No