Information card for entry 4331543

Structure parameters

• Formula: C72 H80 N20 O20 Pd4
• Calculated formula: C72 H80 N20 O20 Pd4
• Title of publication: Solution self-assembly, spontaneous deprotonation, and crystal structures of bipyrazolate-bridged metallomacrocycles with dimetal centers.
• Authors of publication: Yu, Shu-Yan; Huang, Hai-Ping; Li, Sheng-Hui; Jiao, Qing; Li, Yi-Zhi; Wu, Biao; Sei, Yoshihisa; Yamaguchi, Kentaro; Pan, Yuan-Jiang; Ma, Hong-Wei
• Journal of publication: Inorganic chemistry
• Year of publication: 2005
• Journal volume: 44
• Journal issue: 25
• Pages of publication: 9471 - 9488
• a: 18.463 ± 0.004 Å
• b: 20.759 ± 0.004 Å
• c: 22.208 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8512 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 72
• Hermann-Mauguin space group symbol: I b a m
• Hall space group symbol: -I 2 2c
• Residual factor for all reflections: 0.0802
• Residual factor for significantly intense reflections: 0.0559
• Weighted residual factors for significantly intense reflections: 0.1143
• Weighted residual factors for all reflections included in the refinement: 0.1195
• Goodness-of-fit parameter for all reflections included in the refinement: 1.089
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No