Information card for entry 7004922

Structure parameters

• Formula: C53 H49 Cl2 F6 O3 P3 Pd Sb
• Calculated formula: C53 H49 Cl2 F6 O3 P4 Pd Sb
• SMILES: F[Sb](F)(F)(F)(F)[F-].c12ccccc1O[P](Oc1ccccc1)(Oc1ccccc1)[Pd]132[P](c2ccccc2)(c2ccccc2)CC[P]1(c1ccccc1)CC[P]3(c1ccccc1)c1ccccc1.C(Cl)Cl
• Title of publication: Five-coordinate Pd(II) orthometallated triarylphosphite complexes.
• Authors of publication: Bedford, Robin B.; Betham, Michael; Butts, Craig P.; Coles, Simon J.; Cutajar, Marica; Gelbrich, Thomas; Hursthouse, Michael B.; Scully, P. Noelle; Wimperis, Stephen
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2007
• Journal issue: 4
• Pages of publication: 459 - 466
• a: 12.7089 ± 0.0013 Å
• b: 24.953 ± 0.003 Å
• c: 16.2793 ± 0.0019 Å
• α: 90°
• β: 94.354 ± 0.01°
• γ: 90°
• Cell volume: 5147.7 ± 1 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 8
• 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: 0.058
• Residual factor for significantly intense reflections: 0.0384
• Weighted residual factors for significantly intense reflections: 0.0839
• Weighted residual factors for all reflections included in the refinement: 0.0925
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No