Information card for entry 4301227

Structure parameters

• Formula: C65 H80 Cl4 Ir4 N4 P2
• Calculated formula: C65 H80 Cl4 Ir4 N4 P2
• SMILES: [Ir]123456([P](C[P]([Ir]789%10([N]1=C=N[Ir]1%11%12(Cl)[CH]%13=[CH]1CC[CH]%11=[CH]%12CC%13)([N]2=C=N[Ir]12%11(Cl)[CH]%12CC[CH]1=[CH]2CC[CH]%11=%12)[c]1([c]7([c]8([c]9([c]%101C)C)C)C)C)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)[c]1([c]3([c]4([c]5([c]61C)C)C)C)C.ClCCCl
• Title of publication: Core Expansion Reactions of Cyanamido/Carbodiimido-Bridged Polynuclear Iridium Complexes
• Authors of publication: Makoto Imaji; Yoshiaki Tanabe; Yuichiro Mutoh; Youichi Ishii
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 773 - 780
• a: 10.145 ± 0.003 Å
• b: 17.805 ± 0.005 Å
• c: 17.87 ± 0.005 Å
• α: 95.918 ± 0.002°
• β: 98.423 ± 0.004°
• γ: 102.416 ± 0.004°
• Cell volume: 3088 ± 1.5 ų
• Cell temperature: 123.1 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.0502
• Weighted residual factors for all reflections included in the refinement: 0.1283
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No