Information card for entry 4338407

Structure parameters

• Formula: C38 H44 Cl2 N6 O2 Pd2
• Calculated formula: C38 H44 Cl2 N6 O2 Pd2
• SMILES: C1=C(C(=O)C=C([O-])C1=[NH+]CCc1cccc[n]1[Pd]1(c2c(cccc2)C[N]1(C)C)Cl)NCCc1cccc[n]1[Pd]1(c2c(cccc2)C[N]1(C)C)Cl
• Title of publication: Reversible switching of the coordination modes of a pyridine-functionalized quinonoid zwitterion; its di- and tetranuclear palladium complexes.
• Authors of publication: Ghisolfi, Alessio; Waldvogel, Audrey; Routaboul, Lucie; Braunstein, Pierre
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 11
• Pages of publication: 5515 - 5526
• a: 31.632 ± 0.002 Å
• b: 14.6948 ± 0.0009 Å
• c: 22.528 ± 0.0009 Å
• α: 90°
• β: 99.08 ± 0.004°
• γ: 90°
• Cell volume: 10340.4 ± 1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• 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: 0.1311
• Residual factor for significantly intense reflections: 0.0925
• Weighted residual factors for significantly intense reflections: 0.2364
• Weighted residual factors for all reflections included in the refinement: 0.2576
• 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: No
• Has Fobs: No