Information card for entry 7003327

Structure parameters

• Formula: C32 H40 Cl10 N12 O6 Pt Re2
• Calculated formula: C32 H40 Cl10 N12 O6 Pt Re2
• SMILES: C([Re](C#[O])(C#[O])([n]1ccn(c1)C)([n]1cn(C)cc1)[n]1cn(cc1)C)#[O].C(Cl)Cl.[Pt](Cl)(Cl)(Cl)(Cl)([Cl-])[Cl-].C(#[O])[Re](C#[O])(C#[O])([n]1cn(cc1)C)([n]1cn(cc1)C)[n]1cn(cc1)C.C(Cl)Cl
• Title of publication: Second-sphere interaction of anions with a weakly binding metal complex host: probing the effect of counteranions
• Authors of publication: Pérez, Julio; Riera, Lucía; Ion, Laura; Riera, Víctor; Anderson, Kirsty M.; Steed, Jonathan W.; Miguel, Daniel
• Journal of publication: Dalton Transactions
• Year of publication: 2008
• Journal issue: 7
• Pages of publication: 878 - 886
• a: 18.384 ± 0.004 Å
• b: 9.2341 ± 0.0018 Å
• c: 15.713 ± 0.003 Å
• α: 90°
• β: 111.2 ± 0.03°
• γ: 90°
• Cell volume: 2486.9 ± 1 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0655
• Residual factor for significantly intense reflections: 0.0573
• Weighted residual factors for significantly intense reflections: 0.1516
• Weighted residual factors for all reflections included in the refinement: 0.1651
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No