Information card for entry 7006204

Structure parameters

• Formula: C43 H48 Cl2 Ir N2 O4 P S2
• Calculated formula: C43 H46 Cl2 Ir N2 O4 P S2
• SMILES: [Ir]1234([P](c5ccccc5)(c5ccccc5)c5ccccc5)(NS(=O)(=O)c5ccc(cc5)C)(NS(=O)(=O)c5ccc(cc5)C)[c]5([c]4([c]3([c]2([c]15C)C)C)C)C.ClCCl
• 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: 14.832 ± 0.005 Å
• b: 19.13 ± 0.007 Å
• c: 30.389 ± 0.011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8622 ± 5 ų
• Cell temperature: 193.1 K
• Number of distinct elements: 8
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for significantly intense reflections: 0.0382
• Weighted residual factors for all reflections included in the refinement: 0.1386
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No