Information card for entry 7016847

Structure parameters

• Formula: C43 H41 Cl4 Ir N4 O Si
• Calculated formula: C43 H41 Cl4 Ir N4 O Si
• SMILES: [Ir]12([N](=C(c3[n]1c(C(=[N]2c1c(Cl)cccc1Cl)C)ccc3)C)c1c(Cl)cccc1Cl)N[Si](c1ccccc1)(c1ccccc1)c1ccccc1.O(CC)CC
• Title of publication: Synthesis of a chloro protected iridium nitrido complex.
• Authors of publication: Sieh, Daniel; Schöffel, Julia; Burger, Peter
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 37
• Pages of publication: 9512 - 9524
• a: 10.8214 ± 0.0005 Å
• b: 12.3189 ± 0.0005 Å
• c: 15.9789 ± 0.0007 Å
• α: 81.104 ± 0.002°
• β: 78.966 ± 0.002°
• γ: 86.105 ± 0.003°
• Cell volume: 2063.97 ± 0.16 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0626
• Residual factor for significantly intense reflections: 0.0517
• Weighted residual factors for significantly intense reflections: 0.1288
• Weighted residual factors for all reflections included in the refinement: 0.1354
• Goodness-of-fit parameter for all reflections included in the refinement: 1.16
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No