Information card for entry 7030139

Structure parameters

• Formula: C39 H41 B Cl2 F4 Fe P Rh S
• Calculated formula: C39 H41 B Cl2 F4 Fe P Rh S
• SMILES: [Rh]1234([P]([c]56[c]7([Fe]89%10%11%12%135([cH]7[cH]8[cH]69)[cH]5[cH]%10[cH]%11[cH]%12[cH]%135)C[S]1Cc1ccccc1)(c1ccccc1)c1ccccc1)[CH]1=[CH]2CC[CH]3=[CH]4CC1.[B](F)(F)(F)[F-].C(Cl)Cl
• Title of publication: Coordination chemistry of diphenylphosphinoferrocenylthioethers on cyclooctadiene and norbornadiene rhodium(I) platforms.
• Authors of publication: Kozinets, Ekaterina M.; Koniev, Oleksandr; Filippov, Oleg A.; Daran, Jean-Claude; Poli, Rinaldo; Shubina, Elena S.; Belkova, Natalia V.; Manoury, Eric
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 38
• Pages of publication: 11849 - 11859
• a: 11.539 ± 0.0008 Å
• b: 12.8367 ± 0.0008 Å
• c: 13.5655 ± 0.0008 Å
• α: 108.445 ± 0.006°
• β: 101.88 ± 0.005°
• γ: 98.703 ± 0.005°
• Cell volume: 1813.9 ± 0.2 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 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: 0.0605
• Residual factor for significantly intense reflections: 0.0484
• Weighted residual factors for significantly intense reflections: 0.1353
• Weighted residual factors for all reflections included in the refinement: 0.1432
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No