Information card for entry 7049424

Structure parameters

• Formula: C25 H34 F3 Ir N6 O3 S
• Calculated formula: C25 H34 F3 Ir N6 O3 S
• Title of publication: Synthesis and reactivity at the Ir-^MeTpm platform: from κ¹-N coordination to κ³-N-based organometallic chemistry.
• Authors of publication: Fernández-Alvarez, Francisco J; Polo, Víctor; García-Orduña, Pilar; Lahoz, Fernando J.; Pérez-Torrente, Jesús J; Oro, Luis A.; Lalrempuia, Ralte
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 19
• Pages of publication: 6455 - 6463
• a: 8.5533 ± 0.0003 Å
• b: 13.9441 ± 0.0005 Å
• c: 22.6818 ± 0.0009 Å
• α: 90°
• β: 96.332 ± 0.001°
• γ: 90°
• Cell volume: 2688.71 ± 0.17 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• 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: 0.0223
• Residual factor for significantly intense reflections: 0.0188
• Weighted residual factors for significantly intense reflections: 0.0441
• Weighted residual factors for all reflections included in the refinement: 0.0453
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No