Information card for entry 4316601

Structure parameters

• Formula: C92 H118 N6 O8 Pd2
• Calculated formula: C92 H118 N6 O8 Pd2
• SMILES: C1c2ccc(cc2[Pd]2([N]=1c1ccc(OCCCCCCCCCC)cc1)[O]=C(c1ccc(/N=N/c3ccccc3)cc1)O[Pd]1(c3c(C=[N]1c1ccc(OCCCCCCCCCC)cc1)ccc(c3)OCCCCCCCCCC)[O]=C(O2)c1ccc(/N=N/c2ccccc2)cc1)OCCCCCCCCCC
• Title of publication: Photoisomerizable Metallomesogens and Soft Crystals Based on Orthopalladated Complexes
• Authors of publication: M. J. Baena; P. Espinet; C. L. Folcia; J. Ortega; J. Etxebarría
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 8904 - 8913
• a: 16.891 ± 0.006 Å
• b: 22.137 ± 0.008 Å
• c: 23.763 ± 0.009 Å
• α: 90°
• β: 105.093 ± 0.008°
• γ: 90°
• Cell volume: 8579 ± 5 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• 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: 0.188
• Residual factor for significantly intense reflections: 0.0665
• Weighted residual factors for significantly intense reflections: 0.1183
• Weighted residual factors for all reflections included in the refinement: 0.1624
• Goodness-of-fit parameter for all reflections included in the refinement: 0.978
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No