Information card for entry 7050916

Structure parameters

• Formula: C28 H26 B Cl F4 N P Pt Se
• Calculated formula: C28 H26 B Cl F4 N P Pt Se
• SMILES: [Pd]12([P](c3ccccc3)(c3ccccc3)c3ccccc3C=[N]1CCC[Se]2c1ccccc1)Cl.[B](F)(F)(F)[F-]
• Title of publication: New complexes of functionalised ligands bearing P/N/Se or P2Se donor sets
• Authors of publication: Durran, Sean E.; Elsegood, Mark R. J.; Smith, Martin B.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2002
• Journal volume: 26
• Journal issue: 10
• Pages of publication: 1402
• a: 9.8693 ± 0.0007 Å
• b: 23.8471 ± 0.0017 Å
• c: 11.7404 ± 0.0008 Å
• α: 90°
• β: 99.652 ± 0.002°
• γ: 90°
• Cell volume: 2724 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 9
• 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: 0.0605
• Residual factor for significantly intense reflections: 0.0338
• Weighted residual factors for significantly intense reflections: 0.0705
• Weighted residual factors for all reflections included in the refinement: 0.0822
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No