Information card for entry 7005012

Structure parameters

• Formula: C39 H48 F9 N3 O P Pd
• Calculated formula: C39 H48 F9 N3 O P Pd
• SMILES: [Pd]12([n]3c(c4[n]2ccc(c4)C(C)(C)C)cc(cc3)C(C)(C)C)Oc2c(cc(cc2N1c1ccccc1C(F)(F)F)C(C)(C)C)C(C)(C)C.[P](F)(F)(F)(F)(F)[F-]
• 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: 17.7791 ± 0.0005 Å
• b: 20.999 ± 0.0007 Å
• c: 21.6489 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8082.5 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0746
• Residual factor for significantly intense reflections: 0.0417
• Weighted residual factors for significantly intense reflections: 0.0803
• Weighted residual factors for all reflections included in the refinement: 0.0928
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No