Information card for entry 7049423

Structure parameters

• Formula: C31 H38 D6 F3 Ir N6 O3 S
• Calculated formula: C31 H38 D6 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: 11.4694 ± 0.0005 Å
• b: 11.6677 ± 0.0005 Å
• c: 13.9878 ± 0.0006 Å
• α: 92.385 ± 0.001°
• β: 103.837 ± 0.001°
• γ: 111.571 ± 0.001°
• Cell volume: 1672.77 ± 0.13 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0215
• Residual factor for significantly intense reflections: 0.0192
• Weighted residual factors for significantly intense reflections: 0.0447
• Weighted residual factors for all reflections included in the refinement: 0.0457
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No