Information card for entry 7016292

Structure parameters

• Formula: C32 H37 Cl4 I N5 O3 Re
• Calculated formula: C32 H37 Cl4 I N5 O3 Re
• SMILES: [Re]12([n]3n(ccc3C(C)C)c3cc(ccc3[N]2(c2c(n3[n]1c(cc3)C(C)C)cc(cc2)C)C)C)(C#[O])(C#[O])C#[O].[I-].ClCCl.ClCCl
• Title of publication: Using sterics to promote reactivity in fac-Re(CO)(3) complexes of some 'non-innocent' NNN-pincer ligands.
• Authors of publication: Wanniarachchi, Sarath; Liddle, Brendan J.; Toussaint, John; Lindeman, Sergey V.; Bennett, Brian; Gardinier, James R.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 35
• Pages of publication: 8776 - 8787
• a: 10.9417 ± 0.0003 Å
• b: 12.183 ± 0.0002 Å
• c: 15.7817 ± 0.0003 Å
• α: 73.5426 ± 0.0018°
• β: 85.7981 ± 0.0019°
• γ: 65.475 ± 0.002°
• Cell volume: 1833.16 ± 0.08 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0241
• Residual factor for significantly intense reflections: 0.0191
• Weighted residual factors for significantly intense reflections: 0.0456
• Weighted residual factors for all reflections included in the refinement: 0.0463
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No