Information card for entry 1549256

Structure parameters

• Common name: MK 460
• Formula: C25 H49 Ir N2 O2 P2
• Calculated formula: C25 H49 Ir N2 O2 P2
• Title of publication: An iridium(iii/iv/v) redox series featuring a terminal imido complex with triplet ground state.
• Authors of publication: Kinauer, Markus; Diefenbach, Martin; Bamberger, Heiko; Demeshko, Serhiy; Reijerse, Edward J.; Volkmann, Christian; Würtele, Christian; van Slageren, Joris; de Bruin, Bas; Holthausen, Max C.; Schneider, Sven
• Journal of publication: Chemical science
• Year of publication: 2018
• Journal volume: 9
• Journal issue: 18
• Pages of publication: 4325 - 4332
• a: 7.9728 ± 0.0003 Å
• b: 21.7175 ± 0.0009 Å
• c: 8.7383 ± 0.0003 Å
• α: 90°
• β: 113.559 ± 0.001°
• γ: 90°
• Cell volume: 1386.92 ± 0.09 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for all reflections: 0.0272
• Residual factor for significantly intense reflections: 0.0212
• Weighted residual factors for significantly intense reflections: 0.0369
• Weighted residual factors for all reflections included in the refinement: 0.038
• Goodness-of-fit parameter for all reflections included in the refinement: 1.12
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No