Information card for entry 7039894

Structure parameters

• Formula: C17 H26 Cl Ir N O3 P
• Calculated formula: C17 H26 Cl Ir N O3 P
• SMILES: [Ir]12345(Cl)(OP(=O)(c6[n]1ccc(c6)C)C)[c]1([c]5([c]4([c]3([c]21C)C)C)C)C.O
• Title of publication: Pyridylphosphinate metal complexes: synthesis, structural characterisation and biological activity.
• Authors of publication: Cross, Jasmine M.; Gallagher, Natalie; Gill, Jason H.; Jain, Mohit; McNeillis, Archibald W.; Rockley, Kimberly L.; Tscherny, Fiona H.; Wirszycz, Natasha J.; Yufit, Dmitry S.; Walton, James W.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 32
• Pages of publication: 12807 - 12813
• a: 14.7318 ± 0.0002 Å
• b: 16.6565 ± 0.0002 Å
• c: 8.3433 ± 0.0001 Å
• α: 90°
• β: 107.664 ± 0.002°
• γ: 90°
• Cell volume: 1950.76 ± 0.05 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 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: 0.0217
• Residual factor for significantly intense reflections: 0.0202
• Weighted residual factors for significantly intense reflections: 0.0489
• Weighted residual factors for all reflections included in the refinement: 0.0497
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No