Information card for entry 4301184

Structure parameters

• Formula: C41 H57 Cl Cu N3 O P2 Pt
• Calculated formula: C41 H57 Cl Cu N3 O P2 Pt
• SMILES: Cl[Cu]123[C]5#[C]1c1ccccc1N=C1C(=C(C(C(=C1C)C)=Nc1ccccc1[C]2#[C]3[Pt]5([P](CC)(CC)CC)[P](CC)(CC)CC)C)C.C(=O)N(C)C
• Title of publication: Conjugated Organometallic Polymer Containing a Redox-Active Center
• Authors of publication: Daniel Fortin; Sébastien Clément; Karl Gagnon; Jean-François Bérubé; Michael P. Stewart; William E. Geiger; Pierre D. Harvey
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 446 - 454
• a: 20.436 ± 0.01 Å
• b: 9.97 ± 0.01 Å
• c: 21.602 ± 0.01 Å
• α: 90°
• β: 112.3 ± 0.04°
• γ: 90°
• Cell volume: 4072 ± 5 ų
• Cell temperature: 198 ± 2 K
• Ambient diffraction temperature: 198 ± 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: 0.2018
• Residual factor for significantly intense reflections: 0.1033
• Weighted residual factors for significantly intense reflections: 0.2596
• Weighted residual factors for all reflections included in the refinement: 0.327
• Goodness-of-fit parameter for all reflections included in the refinement: 1.182
• Diffraction radiation wavelength: 1.54176 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No