Information card for entry 4306474

Structure parameters

• Formula: C104 H110 F12 N10 O22 P4 Pt2 S4
• Calculated formula: C104 H110 F12 N10 O22 P4 Pt2 S4
• SMILES: c1[n]2[Pt]3([n]4cc(c(NC(=O)c5nc(C(=O)Nc6c(c[n](cc6C)[Pt]6([n]7cc(c(NC(=O)c8nc(C(=O)Nc(c(c2)C)c1C)cc(OCC)c8)c(c7)C)C)[P](c1ccccc1)(c1ccccc1)CCC[P]6(c1ccccc1)c1ccccc1)C)cc(OCC)c5)c(c4)C)C)[P](c1ccccc1)(CCC[P]3(c1ccccc1)c1ccccc1)c1ccccc1.C(F)(F)(S(=O)(=O)[O-])F.C(F)(F)(F)S(=O)(=O)[O-].O.O.C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-].O.O
• Title of publication: Anion-π-π Interactions in a Dinuclear M2L2 Metallocycle
• Authors of publication: Magdalena Capó; Jordi Benet-Buchholz; Pablo Ballester
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 10190 - 10192
• a: 14.191 ± 0.0005 Å
• b: 24.6213 ± 0.0008 Å
• c: 21.1419 ± 0.0007 Å
• α: 90°
• β: 125.841 ± 0.001°
• γ: 90°
• Cell volume: 5988.2 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• 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: 0.0682
• Residual factor for significantly intense reflections: 0.0401
• Weighted residual factors for significantly intense reflections: 0.0953
• Weighted residual factors for all reflections included in the refinement: 0.1135
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No