Information card for entry 4346212

Structure parameters

• Formula: C66 H63 F12 N3 P6 Pd2
• Calculated formula: C66 H63 F12 N3 P6 Pd2
• SMILES: [Pd]1([Pd]2([P](C[P]1(c1ccccc1)c1ccccc1)(CP(C[P]2(c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)C#[N]c1c(cccc1C)C)(C#[N]c1c(cccc1C)C)C#[N]c1c(cccc1C)C.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Stepwise Expansion of Pd Chains from Binuclear Palladium(I) Complexes Supported by Tetraphosphine Ligands.
• Authors of publication: Tanase, Tomoaki; Hatada, Satoko; Noda, Sayo; Takenaka, Hiroe; Nakamae, Kanako; Kure, Bunsho; Nakajima, Takayuki
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 17
• Pages of publication: 8298 - 8309
• a: 11.0576 ± 0.0002 Å
• b: 22.1513 ± 0.0007 Å
• c: 27.3243 ± 0.0009 Å
• α: 90°
• β: 95.9128 ± 0.0005°
• γ: 90°
• Cell volume: 6657.2 ± 0.3 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.0328
• Weighted residual factors for all reflections included in the refinement: 0.0754
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No