Information card for entry 7016845

Structure parameters

• Formula: C23 H19 Cl9 Ir N3
• Calculated formula: C23 H19 Cl9 Ir N3
• SMILES: [Ir]12([N](=C(C)c3[n]1c(ccc3)C(=[N]2c1c(Cl)cccc1Cl)C)c1c(Cl)cccc1Cl)(Cl)(Cl)CCl.ClCCl
• 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: 11.557 ± 0.009 Å
• b: 19.363 ± 0.015 Å
• c: 13.696 ± 0.011 Å
• α: 90°
• β: 105.86 ± 0.013°
• γ: 90°
• Cell volume: 2948 ± 4 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 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: 0.1217
• Residual factor for significantly intense reflections: 0.0553
• Weighted residual factors for significantly intense reflections: 0.087
• Weighted residual factors for all reflections included in the refinement: 0.0999
• Goodness-of-fit parameter for all reflections included in the refinement: 0.715
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No