Information card for entry 2005351

Structure parameters

• Chemical name: 2[1-(R)-(N,N-dimethylamino)-ethyl],2'[1-(R)(N,N-dimethylammonium)-ethyl] -1,1'(S,S)biferrocene trichloro(dimethylsulfoxide)platinate(II). ?
• Formula: C30 H43 Cl3 Fe2 N2 O Pt S
• Calculated formula: C30 H43 Cl3 Fe2 N2 O Pt S
• SMILES: [Pt](Cl)(Cl)(Cl)[S](=O)(C)C.[c]12([c]3([cH]4[cH]5[cH]1[Fe]16782345[cH]2[cH]8[cH]7[cH]6[cH]12)[C@H](C)N(C)C)[c]12[cH]3[cH]4[cH]5[c]1([C@H](C)[NH+](C)C)[Fe]16782345[cH]2[cH]8[cH]7[cH]6[cH]12
• Title of publication: 1-(<i>R</i>)-{2-[1-(<i>R</i>)-(<i>N</i>,<i>N</i>-Dimethylamino)ethyl]-1,1'-(<i>S</i>,<i>S</i>)-biferrocen-2'-yl}ethyl-<i>N</i>,<i>N</i>-dimethylammonium Trichloro(dimethyl sulfoxide-<i>S</i>)platinate(II)
• Authors of publication: Robinson, B. H.; Simpson, J.; Wilson, D. J.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 9
• Pages of publication: 2196 - 2198
• a: 13.314 ± 0.008 Å
• b: 9.983 ± 0.005 Å
• c: 13.45 ± 0.007 Å
• α: 90°
• β: 117.63 ± 0.02°
• γ: 90°
• Cell volume: 1583.8 ± 1.5 ų
• Cell temperature: 158 ± 2 K
• Ambient diffraction temperature: 158 ± 2 K
• Number of distinct elements: 8
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0621
• Residual factor for significantly intense reflections: 0.0489
• Weighted residual factors for all reflections: 0.1097
• Weighted residual factors for significantly intense reflections: 0.106
• Goodness-of-fit parameter for all reflections: 0.941
• Goodness-of-fit parameter for significantly intense reflections: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes