Information card for entry 7026420

Structure parameters

• Formula: C53.5 H55 Cl7 N8 Pd2
• Calculated formula: C53.52 H55.04 Cl7.04 N8 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: 11.745 ± 0.0005 Å
• b: 19.4066 ± 0.0008 Å
• c: 12.5835 ± 0.0005 Å
• α: 90°
• β: 109.497 ± 0.001°
• γ: 90°
• Cell volume: 2703.7 ± 0.19 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0816
• Residual factor for significantly intense reflections: 0.0702
• Weighted residual factors for significantly intense reflections: 0.1418
• Weighted residual factors for all reflections included in the refinement: 0.1485
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No