Information card for entry 7007169

Structure parameters

• Formula: C53 H68 O P2 Pd
• Calculated formula: C53 H68 O P2 Pd
• SMILES: [Pd]12([P](Cc3cccc4cccc(c34)C[P]1(C1CCCCC1)C1CCCCC1)(C1CCCCC1)C1CCCCC1)[CH](C(=O)/C=C/c1ccccc1)=[CH]2c1ccccc1
• Title of publication: 1,8-Dimethylnaphthalene-bridged diphosphine ligands: synthesis and structural comparison of their palladium complexes.
• Authors of publication: Bellabarba, Ronan M.; Hammond, Colin; Forman, Grant S.; Tooze, Robert P.; Slawin, Alexandra M. Z.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2006
• Journal issue: 20
• Pages of publication: 2444 - 2449
• a: 11.042 ± 0.002 Å
• b: 18.354 ± 0.004 Å
• c: 22.234 ± 0.004 Å
• α: 90°
• β: 90.183 ± 0.006°
• γ: 90°
• Cell volume: 4506 ± 1.5 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 K
• Number of distinct elements: 5
• 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: 0.0863
• Residual factor for significantly intense reflections: 0.0564
• Weighted residual factors for significantly intense reflections: 0.1087
• Weighted residual factors for all reflections included in the refinement: 0.1219
• Goodness-of-fit parameter for all reflections included in the refinement: 1.087
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No