Information card for entry 7000347

Structure parameters

• Formula: C63 H83 Cl N O6 P Pd
• Calculated formula: C63 H83 Cl N O6 P Pd
• Title of publication: A novel hemilabile calix[4],quinoline-based P,N-ligand: coordination chemistry and complex characterisation
• Authors of publication: Marson, Angelica; Ernsting, Johanneke E.; Lutz, Martin; Spek, Anthony L.; van Leeuwen, Piet W. N. M.; Kamer, Paul C. J.
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 4
• Pages of publication: 621
• a: 26.1478 ± 0.0002 Å
• b: 12.9326 ± 0.0001 Å
• c: 18.9151 ± 0.0001 Å
• α: 90°
• β: 94.6368 ± 0.0003°
• γ: 90°
• Cell volume: 6375.38 ± 0.08 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 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: 0.0596
• Residual factor for significantly intense reflections: 0.0401
• Weighted residual factors for significantly intense reflections: 0.1027
• Weighted residual factors for all reflections included in the refinement: 0.1105
• Goodness-of-fit parameter for all reflections included in the refinement: 1.101
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No