Information card for entry 4063229

Structure parameters

• Common name: Cp*2Ir2H3(C4H3NMe)
• Formula: C25 H39 Ir2 N
• Calculated formula: C25 H36 Ir2 N
• SMILES: [Ir]123456([Ir]789%10([c]%11([c]7([c]8([c]9([c]%10%11C)C)C)C)C)[c]75n(cc[cH]67)C)[c]5([c]1([c]2([c]3([c]45C)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: 16.4804 ± 0.0003 Å
• b: 15.3201 ± 0.0003 Å
• c: 9.8855 ± 0.0001 Å
• α: 90°
• β: 98.69°
• γ: 90°
• Cell volume: 2467.23 ± 0.07 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 4
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0501
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for all reflections: 0.0985
• Weighted residual factors for significantly intense reflections: 0.0939
• Goodness-of-fit parameter for all reflections: 0.974
• Goodness-of-fit parameter for significantly intense reflections: 1.007
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No