Information card for entry 4113201

Structure parameters

• Formula: C28 H41 Cl N O3 Pd0.5
• Calculated formula: C28 H41 Cl N O3 Pd0.5
• Title of publication: A Generalized Model for the Molecular Arrangement in the Columnar Mesophases of Polycatenar Mesogens. Crystal and Molecular Structure of Two Hexacatenar Mesogens
• Authors of publication: Bertrand Donnio; Benoît Heinrich; Hassan Allouchi; Jens Kain; Siegmar Diele; Daniel Guillon; Duncan W. Bruce
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2004
• Journal volume: 126
• Pages of publication: 15258 - 15268
• a: 8.205 ± 0.002 Å
• b: 10.282 ± 0.002 Å
• c: 34.245 ± 0.008 Å
• α: 90°
• β: 93.1 ± 0.01°
• γ: 90°
• Cell volume: 2884.8 ± 1.1 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1384
• Residual factor for significantly intense reflections: 0.1049
• Weighted residual factors for significantly intense reflections: 0.2046
• Weighted residual factors for all reflections included in the refinement: 0.2216
• Goodness-of-fit parameter for all reflections included in the refinement: 1.101
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No