Information card for entry 7115371

Structure parameters

• Formula: C54 H60.5 F3 Ir2 N7 O3.75 S
• Calculated formula: C54 H60.5 F3 Ir2 N7 O3.75 S
• 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: 23.7205 ± 0.0006 Å
• b: 15.3311 ± 0.0004 Å
• c: 16.5083 ± 0.0004 Å
• α: 90°
• β: 122.479 ± 0.001°
• γ: 90°
• Cell volume: 5064.4 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0342
• Residual factor for significantly intense reflections: 0.0243
• Weighted residual factors for significantly intense reflections: 0.0569
• Weighted residual factors for all reflections included in the refinement: 0.0638
• Goodness-of-fit parameter for all reflections included in the refinement: 1.116
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No