Information card for entry 7016844

Structure parameters

• Formula: C25 H23 Cl5 N3 O Rh
• Calculated formula: C25 H23 Cl5 N3 O Rh
• SMILES: [Rh]12(Cl)[N](=C(c3[n]1c(C(=[N]2c1c(Cl)cccc1Cl)C)ccc3)C)c1c(Cl)cccc1Cl.O1CCCC1
• 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: 9.7883 ± 0.0002 Å
• b: 10.4967 ± 0.0002 Å
• c: 26.4832 ± 0.0005 Å
• α: 90°
• β: 98.09 ± 0.001°
• γ: 90°
• Cell volume: 2693.93 ± 0.09 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.0249
• Residual factor for significantly intense reflections: 0.0221
• Weighted residual factors for significantly intense reflections: 0.0512
• Weighted residual factors for all reflections included in the refinement: 0.0534
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No