Information card for entry 7006201

Structure parameters

• Formula: C44 H50 Ir N2 O4 P S2 Si
• Calculated formula: C44 H50 Ir N2 O4 P S2 Si
• SMILES: [Ir]12345([P](c6ccccc6)(c6ccccc6)c6ccccc6)(N(S(=O)(=O)c6ccc(cc6)C)[Si](N1S(=O)(=O)c1ccc(cc1)C)(C)C)[c]1([c]5([c]4([c]3([c]21C)C)C)C)C
• Title of publication: Silylenediamido [(CH3)2Si(NTs)2(2-); Ts = p-CH3C6H4SO2] complexes of iridium: synthesis, structures and facile Si-N bond cleavage.
• Authors of publication: Ishiwata, Koji; Kuwata, Shigeki; Ikariya, Takao
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2007
• Journal issue: 33
• Pages of publication: 3606 - 3608
• a: 10.474 ± 0.004 Å
• b: 19.55 ± 0.007 Å
• c: 20.356 ± 0.007 Å
• α: 90°
• β: 91.55 ± 0.005°
• γ: 90°
• Cell volume: 4167 ± 3 ų
• Cell temperature: 193.1 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.0527
• Weighted residual factors for all reflections included in the refinement: 0.1191
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No