Information card for entry 7204830

Structure parameters

• Formula: C70 H98 Cl6 N2 O8 Pd
• Calculated formula: C70 H98 Cl6 N2 O8 Pd
• SMILES: C1(O[Pd]2([N](=C(C=1)C)c1ccc(OC(=O)c3ccc(OCCCCCCCCCCCCCCCC)cc3)cc1)[N](=C(C=C(C)O2)C)c1ccc(OC(=O)c2ccc(OCCCCCCCCCCCCCCCC)cc2)cc1)C.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl
• Title of publication: Rodlike metallomesogens containing nickel(II), palladium(II) and copper(II) based on novel enaminoketonato ligands
• Authors of publication: Carsten P. Roll; Alexander G. Martin; Helmar Görls; Guido Leibeling; Daniel Guillon; Bertrand Donnio; Wolfgang Weigand
• Journal of publication: J. Mater. Chem.
• Year of publication: 2004
• Journal volume: 14
• Journal issue: 11
• Pages of publication: 1722 - 1730
• a: 7.5241 ± 0.0004 Å
• b: 9.2447 ± 0.0009 Å
• c: 25.918 ± 0.003 Å
• α: 91.226 ± 0.003°
• β: 90.943 ± 0.006°
• γ: 94.782 ± 0.005°
• Cell volume: 1795.8 ± 0.3 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 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: 0.1434
• Residual factor for significantly intense reflections: 0.0618
• Weighted residual factors for significantly intense reflections: 0.121
• Weighted residual factors for all reflections included in the refinement: 0.1321
• Goodness-of-fit parameter for all reflections included in the refinement: 0.759
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No