Information card for entry 4077970

Structure parameters

• Formula: C40 H56 Cl8 N2 O8 Pt
• Calculated formula: C40.003 H56 Cl8 N2 O8 Pt
• SMILES: [Pt]1(Cl)(Cl)[n]2cc3cc(c2)C(=O)OCCCCCCCCCCCCOC(=O)c2cc(c[n]1c2)C(=O)OCCCCCCCCCCCCOC3=O.ClC(Cl)Cl.ClC(Cl)Cl
• Title of publication: Gyroscope-Like Platinum and Palladium Complexes with Trans-Spanning Bis(pyridine) Ligands
• Authors of publication: Zeits, Paul D.; Rachiero, Giovanni Pietro; Hampel, Frank; Reibenspies, Joseph H.; Gladysz, John A.
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 7
• Pages of publication: 2854
• a: 13.295 ± 0.003 Å
• b: 13.88 ± 0.003 Å
• c: 15.392 ± 0.003 Å
• α: 82.38 ± 0.03°
• β: 67.13 ± 0.03°
• γ: 67.03 ± 0.03°
• Cell volume: 2409 ± 1.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0749
• Residual factor for significantly intense reflections: 0.0433
• Weighted residual factors for significantly intense reflections: 0.0939
• Weighted residual factors for all reflections included in the refinement: 0.1048
• Goodness-of-fit parameter for all reflections included in the refinement: 0.974
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No