Information card for entry 7008457

Structure parameters

• Formula: C48 H34 Cd N12 O2
• Calculated formula: C48 H34 Cd N12 O2
• Title of publication: Strong enhancement of second-harmonic generation (SHG) response through multi-chiral centers and metal-coordination.
• Authors of publication: Ye, Qiong; Tang, Yu-Zhi; Wang, Xi-Sen; Xiong, Ren-Gen
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2005
• Journal issue: 9
• Pages of publication: 1570 - 1573
• a: 12.144 ± 0.002 Å
• b: 40.776 ± 0.007 Å
• c: 8.353 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4136.3 ± 1.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 41
• Hermann-Mauguin space group symbol: A b a 2
• Hall space group symbol: A 2 -2ab
• Residual factor for all reflections: 0.0989
• Residual factor for significantly intense reflections: 0.0693
• Weighted residual factors for significantly intense reflections: 0.1418
• Weighted residual factors for all reflections included in the refinement: 0.1524
• Goodness-of-fit parameter for all reflections included in the refinement: 1.113
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No