Information card for entry 7129987

Structure parameters

• Formula: C28 H37 Cl2 Ir N2 O2 P2
• Calculated formula: C28 H37 Cl2 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: 14.2647 ± 0.0003 Å
• b: 24.628 ± 0.0004 Å
• c: 8.18186 ± 0.00015 Å
• α: 90°
• β: 98.2803 ± 0.0018°
• γ: 90°
• Cell volume: 2844.41 ± 0.09 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 7
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0239
• Residual factor for significantly intense reflections: 0.0232
• Weighted residual factors for significantly intense reflections: 0.0587
• Weighted residual factors for all reflections included in the refinement: 0.0589
• Goodness-of-fit parameter for all reflections included in the refinement: 1.094
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No