Information card for entry 7129989

Structure parameters

• Formula: C57 H74 Au2 Cl9 D Ir2 N4 O4 P4
• Calculated formula: C57 H74 Au2 Cl9 D Ir2 N4 O4 P4
• 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: 13.061 ± 0.0001 Å
• b: 20.2888 ± 0.0001 Å
• c: 25.7121 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6813.5 ± 0.08 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: 0.0167
• Residual factor for significantly intense reflections: 0.0164
• Weighted residual factors for significantly intense reflections: 0.0427
• Weighted residual factors for all reflections included in the refinement: 0.0428
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Diffraction radiation X-ray symbol: K-L~3~
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No