Information card for entry 4348065

Structure parameters

• Formula: C36 H40 Cd N6 O4
• Calculated formula: C36 H40 Cd N6 O4
• Title of publication: Coordination Chemistry and Structural Dynamics of a Long and Flexible Piperazine-Derived Ligand.
• Authors of publication: Hawes, Chris S.; Hamilton, Sophie E.; Hicks, Jamie; Knowles, Gregory P.; Chaffee, Alan L.; Turner, David R.; Batten, Stuart R.
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 13
• Pages of publication: 6692 - 6702
• a: 22.074 ± 0.004 Å
• b: 12.515 ± 0.003 Å
• c: 13.367 ± 0.003 Å
• α: 90°
• β: 116.98 ± 0.03°
• γ: 90°
• Cell volume: 3290.8 ± 1.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 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: 0.0407
• Residual factor for significantly intense reflections: 0.0362
• Weighted residual factors for significantly intense reflections: 0.09
• Weighted residual factors for all reflections included in the refinement: 0.0929
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.7109 Å
• Diffraction radiation type: Synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No