Information card for entry 7109003

Structure parameters

• Formula: C34 H26 Cd N2 O7
• Calculated formula: C34 H26 Cd N2 O7
• Title of publication: Stepwise ligand transformations through [2+2] photodimerization and hydrothermal in situ oxidation reactions
• Authors of publication: Dong Liu; Jian-Ping Lang; Brendan F. Abrahams
• Journal of publication: Chem.Commun.
• Year of publication: 2013
• Journal volume: 49
• Pages of publication: 2682
• a: 10.3 ± 0.002 Å
• b: 11.96 ± 0.002 Å
• c: 14.114 ± 0.003 Å
• α: 70.96 ± 0.03°
• β: 70.79 ± 0.03°
• γ: 66.7 ± 0.03°
• Cell volume: 1468.9 ± 0.6 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0342
• Residual factor for significantly intense reflections: 0.0282
• Weighted residual factors for significantly intense reflections: 0.061
• Weighted residual factors for all reflections included in the refinement: 0.0633
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No