Information card for entry 7001206

Structure parameters

• Common name: Compound X
• Formula: C40 H27 F10 Fe P Pt S
• Calculated formula: C40 H27 F10 Fe P Pt S
• SMILES: c1(c(c(c(c(c1F)F)F)F)F)[Pt](c1c(c(c(c(c1F)F)F)F)F)([P](c1ccccc1)(c1ccccc1)C#C[c]12[cH]3[cH]4[cH]5[cH]1[Fe]16782345[cH]2[cH]1[cH]6[cH]7[cH]82)[S]1CCCC1
• Title of publication: Platinum complexes having redox-active PPh2CCFc and/or CCFc as terminal or bridging ligands
• Authors of publication: Díez, Álvaro; Lalinde, Elena; Teresa Moreno, M.; Sánchez, Sergio
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 18
• Pages of publication: 3434 - 3446
• a: 9.7286 ± 0.0003 Å
• b: 11.8603 ± 0.0005 Å
• c: 17.0124 ± 0.0007 Å
• α: 78.501 ± 0.002°
• β: 81.325 ± 0.002°
• γ: 69.772 ± 0.002°
• Cell volume: 1797.75 ± 0.12 ų
• Cell temperature: 173 ± 1 K
• Ambient diffraction temperature: 173 ± 1 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0457
• Residual factor for significantly intense reflections: 0.0384
• Weighted residual factors for significantly intense reflections: 0.0955
• Weighted residual factors for all reflections included in the refinement: 0.1005
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No