Information card for entry 4332653

Structure parameters

• Formula: C34 H31 N O3 P2
• Calculated formula: C34 H31 N O3 P2
• SMILES: P(CN(CP(c1ccccc1)c1ccccc1)c1c(cccc1OC)C(=O)O)(c1ccccc1)c1ccccc1
• 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: 10.2346 ± 0.0005 Å
• b: 11.5379 ± 0.0006 Å
• c: 13.3608 ± 0.0007 Å
• α: 108.617 ± 0.002°
• β: 102.451 ± 0.002°
• γ: 94.244 ± 0.002°
• Cell volume: 1442.5 ± 0.13 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.037
• Residual factor for significantly intense reflections: 0.0321
• Weighted residual factors for significantly intense reflections: 0.0859
• Weighted residual factors for all reflections included in the refinement: 0.0899
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No