Information card for entry 2235756

Structure parameters

• Chemical name: <i>rac</i>-<i>cis</i>,<i>cis</i>-Dicarbonyldichlorido{1-[2- (diphenylphosphanyl)benzyl]-3-mesitylimidazol-2-ylidene}ruthenium(II) dichloromethane monosolvate
• Formula: C34 H31 Cl4 N2 O2 P Ru
• Calculated formula: C34 H31 Cl4 N2 O2 P Ru
• SMILES: [Ru]1(Cl)(Cl)(C#[O])(C#[O])=C2N(C=CN2Cc2c([P]1(c1ccccc1)c1ccccc1)cccc2)c1c(cc(cc1C)C)C.C(Cl)Cl
• Title of publication: <i>rac</i>-<i>cis</i>,<i>cis</i>-Dicarbonyldichlorido{1-[2-(diphenylphosphanyl)benzyl]-3-mesitylimidazol-2-ylidene}ruthenium(II) dichloromethane monosolvate
• Authors of publication: Domski, Gregory J.; Hohenboken, Sallie A.; Swenson, Dale C.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 8
• Pages of publication: m1121
• a: 22.539 ± 0.003 Å
• b: 16.4065 ± 0.0017 Å
• c: 19.852 ± 0.002 Å
• α: 90°
• β: 111.004 ± 0.005°
• γ: 90°
• Cell volume: 6853.2 ± 1.4 ų
• Cell temperature: 190 ± 2 K
• Ambient diffraction temperature: 190 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0568
• Residual factor for significantly intense reflections: 0.0378
• Weighted residual factors for significantly intense reflections: 0.086
• Weighted residual factors for all reflections included in the refinement: 0.0966
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes