Information card for entry 2208004

Structure parameters

• Chemical name: {2-[(Benzylmethylamino)methyl]ferrocene-κ^2^N,C^1^} chloro(dimethyl sulfoxide-κS)platinum(II)
• Formula: C21 H26 Cl Fe N O Pt S
• Calculated formula: C21 H26 Cl Fe N O Pt S
• SMILES: [Pt]1([c]23[Fe]456789%10([c]2([cH]4[cH]5[cH]36)C[N]1(C)Cc1ccccc1)[cH]1[cH]7[cH]8[cH]9[cH]%101)(Cl)[S](=O)(C)C
• Title of publication: {2-[(Benzylmethylamino)methyl]ferrocene-κ^2^<i>N</i>,<i>C</i>^1^}chloro(dimethyl sulfoxide-κ<i>S</i>)platinum(II)
• Authors of publication: Hong-Xing Wang; Hong-Fei Wu; Feng-Ying Geng; Ren-Qing Gao; Hui-Chao Zhou
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 2
• Pages of publication: m192 - m193
• a: 12.3198 ± 0.0012 Å
• b: 9.7102 ± 0.0009 Å
• c: 18.3096 ± 0.0018 Å
• α: 90°
• β: 90.842 ± 0.001°
• γ: 90°
• Cell volume: 2190.1 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 8
• 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: 0.0215
• Residual factor for significantly intense reflections: 0.0191
• Weighted residual factors for significantly intense reflections: 0.0465
• Weighted residual factors for all reflections included in the refinement: 0.0473
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes