Information card for entry 4331547

Structure parameters

• Formula: C60 H62 B2 F8 N2 P4 Pd2
• Calculated formula: C60 H62 B2 F8 N2 P4 Pd2
• SMILES: c1(ccccc1)[P]1(c2ccccc2)C[P](c2ccccc2)(c2ccccc2)[Pd]2([Pd]1(C#[N]C(C)(C)C)[P](c1ccccc1)(c1ccccc1)C[P]2(c1ccccc1)c1ccccc1)C#[N]C(C)(C)C.[B](F)(F)(F)[F-].[B](F)(F)(F)[F-]
• Title of publication: Solution and Solid-State Properties of Luminescent M−M Bond-Containing Coordination/Organometallic Polymers Using the RNC-M2(dppm)2-CNR Building Blocks (M = Pd, Pt; R = Aryl, Alkyl)
• Authors of publication: Bérubé, Jean-François; Gagnon, Karl; Fortin, Daniel; Decken, Andreas; Harvey, Pierre D.
• Journal of publication: Inorganic Chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 7
• Pages of publication: 2812 - 2823
• a: 12.39 ± 0.012 Å
• b: 19.773 ± 0.004 Å
• c: 26.411 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6470 ± 6 ų
• Cell temperature: 198 ± 2 K
• Ambient diffraction temperature: 198 ± 2 K
• Number of distinct elements: 7
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.1234
• Residual factor for significantly intense reflections: 0.085
• Weighted residual factors for significantly intense reflections: 0.2393
• Weighted residual factors for all reflections included in the refinement: 0.2687
• Goodness-of-fit parameter for all reflections included in the refinement: 1.086
• Diffraction radiation wavelength: 1.54056 Å
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No