Information card for entry 7028325

Structure parameters

• Formula: C40 H47 Ir2 N P2
• Calculated formula: C40 H47 Ir2 N P2
• SMILES: [IrH]12345([P]([Ir]678([P]1(c1ccccc1)c1ccccc1)([NH2]2)[CH]1=[CH]6CC[CH]7=[CH]8CC1)(c1ccccc1)c1ccccc1)[CH]1=[CH]3CC[CH]4=[CH]5CC1
• Title of publication: P-H activation of secondary phosphanes on a parent amido diiridium complex.
• Authors of publication: Mena, Inmaculada; Casado, Miguel A.; Polo, Víctor; García-Orduña, Pilar; Lahoz, Fernando J.; Oro, Luis A.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 4
• Pages of publication: 1609 - 1619
• a: 10.8643 ± 0.0012 Å
• b: 29.946 ± 0.003 Å
• c: 11.1359 ± 0.0013 Å
• α: 90°
• β: 107.334 ± 0.002°
• γ: 90°
• Cell volume: 3458.4 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.0414
• Residual factor for significantly intense reflections: 0.0282
• Weighted residual factors for significantly intense reflections: 0.0569
• Weighted residual factors for all reflections included in the refinement: 0.0606
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No