Information card for entry 4063230

Structure parameters

• Common name: Cp*2Ir2H(C4H3NMe)
• Formula: C25 H37 Ir2 N
• Calculated formula: C25 H37 Ir2 N
• SMILES: [IrH]12345([Ir]6789([c]%10([c]6([c]7([c]8([c]9%10C)C)C)C)C)[C]65N(C=CC=6)C)[c]5([c]4([c]3([c]2([c]15C)C)C)C)C
• Title of publication: Activation of Sulfur- and Nitrogen-Containing Heterocycles by a Dinuclear Iridium Complex
• Authors of publication: David A. Vicic; William D. Jones
• Journal of publication: Organometallics
• Year of publication: 1999
• Journal volume: 18
• Pages of publication: 134 - 138
• a: 8.4912 ± 0.0005 Å
• b: 14.1404 ± 0.0008 Å
• c: 10.301 ± 0.0006 Å
• α: 90°
• β: 104.93 ± 0.001°
• γ: 90°
• Cell volume: 1195.08 ± 0.12 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0456
• Residual factor for significantly intense reflections: 0.0398
• Weighted residual factors for all reflections: 0.092
• Weighted residual factors for significantly intense reflections: 0.0898
• Goodness-of-fit parameter for all reflections: 1.011
• Goodness-of-fit parameter for significantly intense reflections: 1.096
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No