Information card for entry 7203576

Structure parameters

• Formula: C66 H79 Cd Cl2 N6 O12
• Calculated formula: C66 H79 Cd Cl2 N6 O12
• Title of publication: Synthesis of co-ordination networks selecting from either (<i>R,R</i>), (<i>S,S</i>) and (<i>R,S</i>)-1,4- or -1,3-bis[2-(4-pyridyl)-2-methylethyl]benzene and a discrete complex from 1,4-bis[2-(3-pyridyl)-2-methyl-<i>cis</i>-ethenyl)]benzene
• Authors of publication: M. John Plater; Thomas Gelbrich; Michael B. Hursthouse; Ben M. De Silva
• Journal of publication: CrystEngComm
• Year of publication: 2006
• Journal volume: 8
• Journal issue: 12
• Pages of publication: 895
• a: 18.9609 ± 0.0005 Å
• b: 20.1474 ± 0.0006 Å
• c: 18.4747 ± 0.0004 Å
• α: 90°
• β: 96.418 ± 0.002°
• γ: 90°
• Cell volume: 7013.3 ± 0.3 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.0783
• Residual factor for significantly intense reflections: 0.0604
• Weighted residual factors for significantly intense reflections: 0.1175
• Weighted residual factors for all reflections included in the refinement: 0.1248
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No