Information card for entry 7026424

Structure parameters

• Formula: C53 H56 Cl6 N14 Pd2
• Calculated formula: C53 H55 Cl6 N14 Pd2
• Title of publication: Pd2L2 metallacycles as molecular containers for small molecules.
• Authors of publication: Zhang, Qian; He, Lisi; Liu, Jun-Min; Wang, Wei; Zhang, Jianyong; Su, Cheng-Yong
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 46
• Pages of publication: 11171 - 11179
• a: 17.0274 ± 0.0007 Å
• b: 25.876 ± 0.002 Å
• c: 13.1365 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5788 ± 0.6 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.1111
• Residual factor for significantly intense reflections: 0.0467
• Weighted residual factors for significantly intense reflections: 0.0928
• Weighted residual factors for all reflections included in the refinement: 0.1043
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No