Information card for entry 7028366

Structure parameters

• Formula: C26 H26 Cl2 Fe N O P Pt S
• Calculated formula: C26 H26 Cl2 Fe N O P Pt S
• SMILES: [Pt]1(Cl)(Cl)[S](CCNC(=O)[c]23[cH]4[Fe]56789%102([cH]4[cH]5[cH]36)[c]2([cH]%10[cH]9[cH]8[cH]72)[P]1(c1ccccc1)c1ccccc1)C
• Title of publication: Synthesis and structural characterisation of Pd(II) and Pt(II) complexes with a flexible, ferrocene-based P,S-donor amidophosphine ligand.
• Authors of publication: Tauchman, Jiří; Císařová, Ivana; Stěpnička, Petr
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 4
• Pages of publication: 1599 - 1608
• a: 8.7438 ± 0.0002 Å
• b: 10.5637 ± 0.0002 Å
• c: 14.1431 ± 0.0003 Å
• α: 91.953 ± 0.001°
• β: 90.081 ± 0.001°
• γ: 99.957 ± 0.001°
• Cell volume: 1285.89 ± 0.05 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 9
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0167
• Residual factor for significantly intense reflections: 0.0151
• Weighted residual factors for significantly intense reflections: 0.0317
• Weighted residual factors for all reflections included in the refinement: 0.0322
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No