Information card for entry 7011910

Structure parameters

• Formula: C23 H21 Cl2 Fe P Pt S
• Calculated formula: C23 H21 Cl2 Fe P Pt S
• SMILES: [Pt]1(Cl)(Cl)[S]([c]23[Fe]456789%10([cH]2[cH]4[cH]5[cH]36)[c]2([cH]7[cH]8[cH]9[cH]%102)[P]1(c1ccccc1)c1ccccc1)C
• Title of publication: Synthesis, characterisation and catalytic activity of metal complexes of neutral, unsymmetrical P/S ferrocenediyl ligands
• Authors of publication: Gibson, Vernon C.; Long, Nicholas J.; White, Andrew J. P.; Williams, Charlotte K.; Williams, David J.; Fontani, Marco; Zanello, Piero
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2002
• Journal issue: 17
• Pages of publication: 3280
• a: 11.45 ± 0.0011 Å
• b: 22.142 ± 0.003 Å
• c: 18.201 ± 0.002 Å
• α: 90°
• β: 108.071 ± 0.008°
• γ: 90°
• Cell volume: 4386.8 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0485
• Residual factor for significantly intense reflections: 0.0307
• Weighted residual factors for all reflections: 0.1224
• Weighted residual factors for significantly intense reflections: 0.0604
• Goodness-of-fit parameter for all reflections: 1.066
• Goodness-of-fit parameter for significantly intense reflections: 1.098
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No