Information card for entry 7701128

Structure parameters

• Formula: C26 H36 Cl3 In Ir N3 P2
• Calculated formula: C26 H36 Cl3 In Ir N3 P2
• Title of publication: Synthesis, structure, and reactivity of pincer-type iridium complexes having gallyl- and indyl-metalloligands utilizing 2,5-bis(6-phosphino-2-pyridyl)pyrrolide as a new scaffold for metal-metal bonds.
• Authors of publication: Takaya, Jun; Hoshino, Mayuko; Ueki, Kanako; Saito, Narumasa; Iwasawa, Nobuharu
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 39
• Pages of publication: 14606 - 14610
• a: 11.5573 ± 0.0001 Å
• b: 16.2109 ± 0.0001 Å
• c: 16.2745 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3049.1 ± 0.04 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 7
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0205
• Residual factor for significantly intense reflections: 0.0203
• Weighted residual factors for significantly intense reflections: 0.0523
• Weighted residual factors for all reflections included in the refinement: 0.0524
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No