Information card for entry 2237806

Structure parameters

• Chemical name: Aquacarbonyl(ferrocenyldithiophosphonato-κ^2^<i>S</i>,<i>S</i>')bis(triphenylphosphane-κ<i>P</i>)ruthenium(II) dichloromethane monosolvate
• Formula: C48 H43 Cl2 Fe O3 P3 Ru S2
• Calculated formula: C48 H43 Cl2 Fe O3 P3 Ru S2
• SMILES: [Ru]1([OH2])(SP(=O)(S1)[c]12[Fe]3456789([cH]1[cH]3[cH]4[cH]25)[cH]1[cH]9[cH]8[cH]7[cH]61)([P](c1ccccc1)(c1ccccc1)c1ccccc1)([P](c1ccccc1)(c1ccccc1)c1ccccc1)C#[O].C(Cl)Cl
• Title of publication: Aquacarbonyl(ferrocenyldithiophosphonato-κ^2^<i>S</i>,<i>S</i>')bis(triphenylphosphane-κ<i>P</i>)ruthenium(II) dichloromethane monosolvate
• Authors of publication: Zhu, Hang; Ma, Qing; Shi, Hua-Tian; Chen, Qun; Zhang, Qian-Feng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 6
• Pages of publication: m343
• a: 12.1493 ± 0.0009 Å
• b: 14.2208 ± 0.0011 Å
• c: 14.71 ± 0.0011 Å
• α: 101.811 ± 0.001°
• β: 98.278 ± 0.001°
• γ: 109.759 ± 0.001°
• Cell volume: 2277.7 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0711
• Residual factor for significantly intense reflections: 0.0543
• Weighted residual factors for significantly intense reflections: 0.1403
• Weighted residual factors for all reflections included in the refinement: 0.1543
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes