Information card for entry 2217077

Structure parameters

• Chemical name: {1-[1-(3-Carboxypropanamido)ethyl]-1',2-bis(diphenylphosphino)ferrocene- κ^2^<i>P</i>,<i>P</i>'}dichloridoplatinum(II) dichloromethane 1.25-solvate
• Formula: C41.25 H39.5 Cl4.5 Fe N O3 P2 Pt
• Calculated formula: C40 H37 Cl2 Fe N O3 P2 Pt
• SMILES: [Pt]1(Cl)(Cl)[P]([c]23[Fe]456789%10([cH]2[cH]4[cH]5[c]36C(NC(=O)CCC(=O)O)C)[c]2([P]1(c1ccccc1)c1ccccc1)[cH]7[cH]8[cH]9[cH]%102)(c1ccccc1)c1ccccc1
• Title of publication: {1-[1-(3-Carboxypropanamido)ethyl]-1',2-bis(diphenylphosphino)ferrocene-κ^2^<i>P</i>,<i>P</i>'}dichloridoplatinum(II) dichloromethane 1.25-solvate
• Authors of publication: Spencer, Lara C.; Bjelosevic, Haris; Darkwa, James; Elmroth, Sofi K. C.; Persson, Tina
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 1
• Pages of publication: m164 - m165
• a: 13.0154 ± 0.0008 Å
• b: 15.7866 ± 0.001 Å
• c: 19.3403 ± 0.0012 Å
• α: 90°
• β: 100.916 ± 0.001°
• γ: 90°
• Cell volume: 3901.9 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.031
• Residual factor for significantly intense reflections: 0.025
• Weighted residual factors for significantly intense reflections: 0.063
• Weighted residual factors for all reflections included in the refinement: 0.0646
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Mo-Kα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes