Information card for entry 4328445

Structure parameters

• Formula: C72 H51 Cd2 Cl4 N18 O17.5
• Calculated formula: C72 H48 Cd2 Cl4 N18 O17.5
• Title of publication: Triple-Stranded Helicates of Zinc(II) and Cadmium(II) Involving a New Redox-Active Multiring Nitrogenous Heterocyclic Ligand: Synthesis, Structure, and Electrochemical and Photophysical Properties
• Authors of publication: Nabanita Kundu; Sk Md Towsif Abtab; Sanchita Kundu; Akira Endo; Simon J. Teat; Muktimoy Chaudhury
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 2652 - 2661
• a: 10.965 ± 0.0015 Å
• b: 15.101 ± 0.002 Å
• c: 22.596 ± 0.003 Å
• α: 91.733 ± 0.002°
• β: 96.585 ± 0.003°
• γ: 106.162 ± 0.002°
• Cell volume: 3562.3 ± 0.8 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 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: 0.1017
• Residual factor for significantly intense reflections: 0.0729
• Weighted residual factors for significantly intense reflections: 0.1859
• Weighted residual factors for all reflections included in the refinement: 0.2011
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.7749 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No