Information card for entry 7046763

Structure parameters

• Formula: C60 H62 Cd2 N6 O12
• Calculated formula: C60 H62 Cd2 N6 O12
• Title of publication: Coordination driven self-assembly of [2 + 2 + 2] molecular squares: synthesis, crystal structures, catalytic and luminescence properties.
• Authors of publication: Gupta, Vijay; Mandal, Sanjay K.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 29
• Pages of publication: 9742 - 9754
• a: 9.2466 ± 0.0016 Å
• b: 10.1167 ± 0.0018 Å
• c: 17.518 ± 0.003 Å
• α: 73.518 ± 0.002°
• β: 86.683 ± 0.002°
• γ: 63.544 ± 0.002°
• Cell volume: 1402.3 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0291
• Residual factor for significantly intense reflections: 0.0254
• Weighted residual factors for significantly intense reflections: 0.0767
• Weighted residual factors for all reflections included in the refinement: 0.0854
• Goodness-of-fit parameter for all reflections included in the refinement: 1.121
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No