Information card for entry 7016566

Structure parameters

• Formula: C38 H40 N6 O2 Pt
• Calculated formula: C38 H40 N6 O2 Pt
• SMILES: C#CC12CCC(CC1)(CC2)C#Cc1cc[nH+]cc1.C(#N)[Pt](C#N)(C#N)C#N.O.C#CC12CCC(CC1)(CC2)C#Cc1cc[nH+]cc1.O
• Title of publication: Asymmetric addition of pyridine to 1,4-bis(ethynyl)bicyclo[2.2.2]octane: dissymmetrical rotator ligands illustrated in dpppPt(ii) and [Re(6)Se(8)](2+) complexes and an amphidynamic hydrogen bonded framework solid.
• Authors of publication: Lemouchi, C.; Barrès, A-L; Mézière, C; Rondeau, D.; Zorina, L.; Wzietek, P.; Batail, P.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 32
• Pages of publication: 8075 - 8078
• a: 13.5093 ± 0.0007 Å
• b: 10.258 ± 0.0003 Å
• c: 13.9549 ± 0.0006 Å
• α: 90°
• β: 109.925 ± 0.005°
• γ: 90°
• Cell volume: 1818.09 ± 0.15 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• 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: 0.0603
• Residual factor for significantly intense reflections: 0.0221
• Weighted residual factors for significantly intense reflections: 0.0423
• Weighted residual factors for all reflections included in the refinement: 0.0503
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No