Information card for entry 7115370

Structure parameters

• Common name: [Ir(C29H35N3)NIr(C29H35N3)][BC24H20]
• Chemical name: [Ir(tBuN3Me4)NIr(tBuN3Me4)][BPh4]
• Formula: C89 H105 B Ir2 N7 O
• Calculated formula: C89 H105 B Ir2 N7 O
• Title of publication: Syntheses and electronic structures of mu-nitrido bridged pyridine, diimine iridium complexes
• Authors of publication: Friedrich Angersbach-Bludau; Christopher Schulz; Julia Schoffel; Peter Burger
• Journal of publication: Chem.Commun.
• Year of publication: 2014
• Journal volume: 50
• Pages of publication: 8735
• a: 11.8882 ± 0.0003 Å
• b: 23.2366 ± 0.0005 Å
• c: 15.133 ± 0.0003 Å
• α: 90°
• β: 95.97°
• γ: 90°
• Cell volume: 4157.69 ± 0.16 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.057
• Residual factor for significantly intense reflections: 0.0423
• Weighted residual factors for significantly intense reflections: 0.0873
• Weighted residual factors for all reflections included in the refinement: 0.098
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No