Information card for entry 4345914

Structure parameters

• Formula: C100 H80 Cu2 N6 P4 Pt2
• Calculated formula: C100 H80 Cu2 N6 P4 Pt2
• SMILES: C1#[N][Cu]([N]#C[Pt]2(c3cc(ccc3c3[n]2cccc3)C)C#[N][Cu]([N]#C[Pt]21c1cc(ccc1c1[n]2cccc1)C)([P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1)([P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Cyclometalated Platinum(II) Cyanometallates: Luminescent Blocks for Coordination Self-Assembly.
• Authors of publication: Schneider, Leon; Sivchik, Vasily; Chung, Kun-You; Chen, Yi-Ting; Karttunen, Antti J.; Chou, Pi-Tai; Koshevoy, Igor O.
• Journal of publication: Inorganic chemistry
• Year of publication: 2017
• a: 12.1032 ± 0.0009 Å
• b: 12.6537 ± 0.001 Å
• c: 16.1583 ± 0.0012 Å
• α: 69.171 ± 0.002°
• β: 75.388 ± 0.002°
• γ: 65.969 ± 0.001°
• Cell volume: 2095.6 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 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: 0.0256
• Residual factor for significantly intense reflections: 0.0209
• Weighted residual factors for significantly intense reflections: 0.0425
• Weighted residual factors for all reflections included in the refinement: 0.0437
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No