Information card for entry 7115851

Structure parameters

• Formula: C84 H110 Cl2 N2 O24 Pd
• Calculated formula: C84 H110 Cl2 N2 O24 Pd
• SMILES: [Pd]([n]1ccc(cc1)C#Cc1ccc(cc1)C#Cc1cc(OCCOCCOCCOC)c(OCCOCCOCCOC)c(OCCOCCOCCOC)c1)([n]1ccc(cc1)C#Cc1ccc(cc1)C#Cc1cc(OCCOCCOCCOC)c(OCCOCCOCCOC)c(OCCOCCOCCOC)c1)(Cl)Cl
• Title of publication: Multiple CH‒O interactions involving glycol chains as driving force for the self-assembly of amphiphilic Pd(II) complexes
• Authors of publication: Christina Rest; Anja Martin; Vladimir Stepanenko; Naveen Kumar Allampally; David Schmidt; Gustavo Fernandez
• Journal of publication: Chem.Commun.
• Year of publication: 2014
• Journal volume: 50
• Pages of publication: 13366
• a: 12.7142 ± 0.0005 Å
• b: 13.0337 ± 0.0005 Å
• c: 14.4284 ± 0.0005 Å
• α: 64.884 ± 0.0011°
• β: 83.659 ± 0.0012°
• γ: 81.022 ± 0.0012°
• Cell volume: 2135.77 ± 0.14 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0421
• Residual factor for significantly intense reflections: 0.0296
• Weighted residual factors for significantly intense reflections: 0.0651
• Weighted residual factors for all reflections included in the refinement: 0.0688
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No