Information card for entry 7023400

Structure parameters

• Formula: C41 H46 Cl2 Fe N4 Ru
• Calculated formula: C41 H46 Cl2 Fe N4 Ru
• SMILES: [Ru](Cl)(Cl)(=Cc1ccccc1)(=C1N(CCN1c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C)=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
• 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: 14.5623 ± 0.0009 Å
• b: 19.3183 ± 0.0012 Å
• c: 13.9662 ± 0.0008 Å
• α: 90°
• β: 112.907 ± 0.001°
• γ: 90°
• Cell volume: 3619.1 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0499
• Residual factor for significantly intense reflections: 0.0388
• Weighted residual factors for significantly intense reflections: 0.0868
• Weighted residual factors for all reflections included in the refinement: 0.0926
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No