Information card for entry 4332654

Structure parameters

• Formula: C35 H34 Br N O3 P2 Pd
• Calculated formula: C35 H34 Br N O3 P2 Pd
• Title of publication: Neutral Molecular Pd6Hexagons Using κ3-P2O-Terdentate Ligands
• Authors of publication: Elsegood, Mark R. J.; Smith, Martin B.; Staniland, Paul M.
• Journal of publication: Inorganic Chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 17
• Pages of publication: 6761 - 6770
• a: 12.0845 ± 0.0006 Å
• b: 16.9539 ± 0.0009 Å
• c: 16.1707 ± 0.0008 Å
• α: 90°
• β: 97.919 ± 0.002°
• γ: 90°
• Cell volume: 3281.4 ± 0.3 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0582
• Residual factor for significantly intense reflections: 0.048
• Weighted residual factors for significantly intense reflections: 0.1022
• Weighted residual factors for all reflections included in the refinement: 0.1053
• Goodness-of-fit parameter for all reflections included in the refinement: 1.299
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No