Information card for entry 7024976

Structure parameters

• Formula: C41 H45 Cd2 N5 O14 S
• Calculated formula: C41 H37 Cd2 N5 O14 S
• Title of publication: Regiocontrolled [2 + 2] photodimerization of Cd(II) metal complexes in both solution and solid state.
• Authors of publication: Miao, Xiao-He; Zhu, Long-Guan
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 6
• Pages of publication: 1457 - 1459
• a: 14.9668 ± 0.0009 Å
• b: 13.8195 ± 0.0008 Å
• c: 23.7408 ± 0.0015 Å
• α: 90°
• β: 107.965 ± 0.001°
• γ: 90°
• Cell volume: 4671 ± 0.5 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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: 0.1018
• Residual factor for significantly intense reflections: 0.0944
• Weighted residual factors for significantly intense reflections: 0.193
• Weighted residual factors for all reflections included in the refinement: 0.1968
• Goodness-of-fit parameter for all reflections included in the refinement: 1.299
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No