Information card for entry 7711897

Structure parameters

• Chemical name: Carbonyl-cyanido-hydrido{tris(3,4,5-trimethylpyrazolyl)borato}-tungsten(II) {μ-η2-κ2-bis(diphenylphosphanylethyne)}-palladiumdichloride
• Formula: C48.8 H52.6 B Cl2.6 N8 O P2 Pd W
• Calculated formula: C48 H51 B Cl2 N8 O P2 Pd W
• SMILES: N#CC.[W]123([n]4n([BH](n5[n]1c(C)c(c5C)C)n1[n]2c(C)c(c1C)C)c(c(c4C)C)C)([C]1#[C]3[P]([Pd](Cl)(Cl)[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)(C#[O])C#N
• Title of publication: Tuning the potential of redox-active diphosphine ligands based on the alkyne complexes [Tp*W(CO)L{η²-C₂(PPh₂)₂}].
• Authors of publication: Ludwig, Stephan; Hamann, Friederike M.; Helmdach, Kai; Villinger, Alexander; Seidel, Wolfram W.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2023
• Journal volume: 52
• Journal issue: 2
• Pages of publication: 326 - 337
• a: 13.5408 ± 0.0011 Å
• b: 13.7166 ± 0.0011 Å
• c: 16.4682 ± 0.0012 Å
• α: 92.352 ± 0.004°
• β: 92.815 ± 0.004°
• γ: 119.24 ± 0.004°
• Cell volume: 2658.3 ± 0.4 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 9
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0572
• Residual factor for significantly intense reflections: 0.0379
• Weighted residual factors for significantly intense reflections: 0.0846
• Weighted residual factors for all reflections included in the refinement: 0.0951
• Goodness-of-fit parameter for all reflections included in the refinement: 0.929
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No