Information card for entry 7005013

Structure parameters

• Formula: C41 H52 B Cl4 F13 N3 O P Pd
• Calculated formula: C41 H52 B Cl4 F13 N3 O P Pd
• Title of publication: Molecular and electronic structure of square planar complexes [PdII(tbpy)(L N,O IP)]0, [PdII(tbpy)(LN,O ISQ)](PF6), and [PdII(tbpy)(L N,O IBQ)](PF6)(BF4).2CH2Cl2: an o-iminophenolato based ligand centered, three-membered redox series.
• Authors of publication: Kokatam, Swarna-Latha; Chaudhuri, Phalguni; Weyhermüller, Thomas; Wieghardt, Karl
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2007
• Journal issue: 3
• Pages of publication: 373 - 378
• a: 37.901 ± 0.002 Å
• b: 11.5338 ± 0.0006 Å
• c: 26.74 ± 0.002 Å
• α: 90°
• β: 124.352 ± 0.006°
• γ: 90°
• Cell volume: 9650.4 ± 1.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 9
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0791
• Residual factor for significantly intense reflections: 0.0536
• Weighted residual factors for significantly intense reflections: 0.1201
• Weighted residual factors for all reflections included in the refinement: 0.1329
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No