Information card for entry 7050912

Structure parameters

• Formula: C36 H36 Cl5 N P2 Pd Se
• Calculated formula: C36 H36 Cl5 N P2 Pd Se
• SMILES: [Pd]1(Cl)(Cl)[P](CN(C[P]1(c1ccccc1)c1ccccc1)CCC[Se]c1ccccc1)(c1ccccc1)c1ccccc1.C(Cl)(Cl)Cl
• 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: 14.6694 ± 0.001 Å
• b: 11.6913 ± 0.0008 Å
• c: 22.9159 ± 0.0016 Å
• α: 90°
• β: 102.898 ± 0.002°
• γ: 90°
• Cell volume: 3831 ± 0.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• 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: 0.0909
• Residual factor for significantly intense reflections: 0.0534
• Weighted residual factors for significantly intense reflections: 0.1306
• Weighted residual factors for all reflections included in the refinement: 0.1554
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No