Information card for entry 7129988

Structure parameters

• Formula: C29 H35 Au Cl6 D Ir N2 O2 P2
• Calculated formula: C29 H35 Au Cl6 D Ir N2 O2 P2
• Title of publication: Reversible P–P bond cleavage at an iridium(iii) metal centre
• Authors of publication: Coles, Simon J.; Horton, Peter N.; Kimber, Patrick; Klooster, Wim T.; Liu, Pingchuan; Plasser, Felix; Smith, Martin B.; Tizzard, Graham J.
• Journal of publication: Chemical Communications
• Year of publication: 2022
• a: 13.687 ± 0.0002 Å
• b: 15.3847 ± 0.0003 Å
• c: 16.7249 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3521.77 ± 0.11 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 9
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.034
• Residual factor for significantly intense reflections: 0.0294
• Weighted residual factors for significantly intense reflections: 0.0638
• Weighted residual factors for all reflections included in the refinement: 0.0656
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Diffraction radiation X-ray symbol: K-L~3~
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No