Information card for entry 1552755

Structure parameters

• Formula: C57 H52 F6 Ir N6 O P2 Sb
• Calculated formula: C57 H52 F6 Ir N6 O P2 Sb
• SMILES: c1cccc2c3c(cc(cc3)/C=N(=O)/C(C)C)[IrH]([n]12)([n]1cc(ccc1)CN=N#N)([P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1.[F-][Sb](F)(F)(F)(F)F
• Title of publication: Imaging and proteomic study of a clickable iridium complex.
• Authors of publication: Wang, Xiuxiu; Zhang, Jingyi; Zhao, Xinyang; Wei, Wei; Zhao, Jing
• Journal of publication: Metallomics : integrated biometal science
• Year of publication: 2019
• Journal volume: 11
• Journal issue: 8
• Pages of publication: 1344 - 1352
• a: 13.5698 ± 0.0013 Å
• b: 29.244 ± 0.003 Å
• c: 16.5759 ± 0.0017 Å
• α: 90°
• β: 105.764 ± 0.002°
• γ: 90°
• Cell volume: 6330.5 ± 1.1 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1005
• Residual factor for significantly intense reflections: 0.0684
• Weighted residual factors for significantly intense reflections: 0.1693
• Weighted residual factors for all reflections included in the refinement: 0.1825
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No