Information card for entry 1541894

Structure parameters

• Common name: [(MePDI)IrCO]2(μ-P2)
• Chemical name: [(MePDI)IrCO]2(μ-P2)
• Formula: C30 H35 Ir N3 O2 P
• Calculated formula: C30 H35 Ir N3 O2 P
• Title of publication: Isolation of Au-, Co-η1PCO and Cu-η2PCO complexes, conversion of an Ir‒η1PCO complex into a dimetalladiphosphene, and an interaction-free PCO anion
• Authors of publication: Liu, Liu; Ruiz, David A.; Dahcheh, Fatme; Bertrand, Guy; Suter, Riccardo; Tondreau, Aaron M.; Grützmacher, Hansjörg
• Journal of publication: Chem. Sci.
• Year of publication: 2016
• Journal volume: 7
• Journal issue: 3
• Pages of publication: 2335
• a: 13.7808 ± 0.0013 Å
• b: 12.3485 ± 0.0016 Å
• c: 16.5685 ± 0.0019 Å
• α: 90°
• β: 96.53 ± 0.004°
• γ: 90°
• Cell volume: 2801.2 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• 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: 0.0511
• Residual factor for significantly intense reflections: 0.0321
• Weighted residual factors for significantly intense reflections: 0.0459
• Weighted residual factors for all reflections included in the refinement: 0.0471
• Goodness-of-fit parameter for all reflections included in the refinement: 1.937
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No