Information card for entry 2019283

Structure parameters

• Common name: (S,R)-[Ru^II^(H)(Cl)(<i>trop</i>HN(CH~2~)~3~HN<i>trop</i>)]
• Chemical name: Chlorido{(1<i>SR</i>,2<i>RS</i>)-<i>N</i>,<i>N</i>'-bis[(10,11-η)-5<i>H</i>-dibenzo[<i>a</i>,<i>d</i>]cyclohepten-5-amine]propane-1,3-diamine-κ^2^<i>N</i>,<i>N</i>'}hydridoruthenium(II)
• Formula: C33 H31 Cl N2 Ru
• Calculated formula: C33 H31 Cl N2 Ru
• Title of publication: Ru^II^‒hydride‒<i>trop</i> complexes: X-ray single-crystal determination and quantum-chemical calculations
• Authors of publication: Santiso-Quinones, Gustavo; Rodriguez-Lugo, Rafael; Sacchetti, Vittorio; Grützmacher, Hansjörg
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 12
• Pages of publication: 1421 - 1426
• a: 24.1125 ± 0.0004 Å
• b: 24.1125 ± 0.0004 Å
• c: 18.0487 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 10493.7 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 88
• Hermann-Mauguin space group symbol: I 41/a :2
• Hall space group symbol: -I 4ad
• Residual factor for all reflections: 0.0662
• Residual factor for significantly intense reflections: 0.0344
• Weighted residual factors for significantly intense reflections: 0.0662
• Weighted residual factors for all reflections included in the refinement: 0.073
• Goodness-of-fit parameter for all reflections included in the refinement: 0.918
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No