Information card for entry 7023398

Structure parameters

• Formula: C15 H14 Cl Fe Ir N2 O2
• Calculated formula: C15 H14 Cl Fe Ir N2 O2
• SMILES: [Ir](=C1N(C)[c]23[Fe]456789%10([cH]2[cH]4[cH]5[cH]36)[c]2(N1C)[cH]7[cH]8[cH]9[cH]%102)(Cl)(C#[O])C#[O]
• Title of publication: Synthesis and study of olefin metathesis catalysts supported by redox-switchable diaminocarbene[3]ferrocenophanes.
• Authors of publication: Varnado, Jr, C Daniel; Rosen, Evelyn L.; Collins, Mary S.; Lynch, Vincent M.; Bielawski, Christopher W.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 36
• Pages of publication: 13251 - 13264
• a: 7.8524 ± 0.0016 Å
• b: 12.17 ± 0.002 Å
• c: 17.782 ± 0.004 Å
• α: 98.77 ± 0.03°
• β: 91.41 ± 0.03°
• γ: 108.35 ± 0.03°
• Cell volume: 1589.3 ± 0.6 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 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: 0.0409
• Residual factor for significantly intense reflections: 0.0348
• Weighted residual factors for significantly intense reflections: 0.0841
• Weighted residual factors for all reflections included in the refinement: 0.0881
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No