Information card for entry 7026868

Structure parameters

• Formula: C18 H17 Cl3 Cr F6 N2 P2 Tl
• Calculated formula: C18 H17 Cl3 Cr F6 N2 P2 Tl
• SMILES: [Cr]1234([P](Cc5[n]1cccc5)(Cc1[n]2cccc1)c1ccccc1)[Cl][Tl]1([Cl]3)([Cl]4)[F][P](F)(F)(F)([F]1)F
• Title of publication: Electrophilic activation and the formation of an unusual Tl+/Cr3+ tetranuclear ion-complex adduct.
• Authors of publication: Liu, Shaofeng; Peloso, Riccardo; Pattacini, Roberto; Braunstein, Pierre
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 34
• Pages of publication: 7881 - 7883
• a: 8.9323 ± 0.0004 Å
• b: 12.0205 ± 0.0005 Å
• c: 12.8804 ± 0.0004 Å
• α: 72.356 ± 0.002°
• β: 71.627 ± 0.002°
• γ: 69.739 ± 0.002°
• Cell volume: 1201.7 ± 0.08 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0469
• Residual factor for significantly intense reflections: 0.0372
• Weighted residual factors for significantly intense reflections: 0.1115
• Weighted residual factors for all reflections included in the refinement: 0.1247
• Goodness-of-fit parameter for all reflections included in the refinement: 1.088
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No