Information card for entry 7018423

Structure parameters

• Formula: C29 H26 Cl6 N4 Pd2
• Calculated formula: C29 H26 Cl6 N4 Pd2
• SMILES: c1(ccc2c3c4c(ccc(C)[n]4[Pd]([n]13)(Cl)Cl)cc2)C.c1(ccc2c3c4c(ccc(C)[n]4[Pd]([n]13)(Cl)Cl)cc2)C.C(Cl)Cl
• Title of publication: Unexpected isomerism in "[Pd(2,9-dimethylphenanthroline)X(2)]" (X = Cl, Br, I) complexes: a neutral and an ionic form exist.
• Authors of publication: Rimoldi, Martino; Ragaini, Fabio; Gallo, Emma; Ferretti, Francesco; Macchi, Piero; Casati, Nicola
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 13
• Pages of publication: 3648 - 3658
• a: 9.897 ± 0.004 Å
• b: 21.44 ± 0.008 Å
• c: 15.012 ± 0.006 Å
• α: 90°
• β: 102.442 ± 0.005°
• γ: 90°
• Cell volume: 3111 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0366
• Residual factor for significantly intense reflections: 0.0258
• Weighted residual factors for significantly intense reflections: 0.0604
• Weighted residual factors for all reflections included in the refinement: 0.0697
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No