Information card for entry 7211394

Structure parameters

• Formula: C90 H102 Cu3 N16 O28
• Calculated formula: C90 H86 Cu3 N16 O28
• Title of publication: The design and construction of a series of metal‒organic coordination polymers based on two isomeric semi-rigid bis-pyridyl-bis-amide ligands and three aromatic polycarboxylates
• Authors of publication: Wang, Xiuli; Luan, Jian; Lin, Hongyan; Xu, Chuang; Liu, Guocheng; Zhang, Juwen; Tian, Aixiang
• Journal of publication: CrystEngComm
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 46
• Pages of publication: 9995
• a: 10.1362 ± 0.0013 Å
• b: 16.167 ± 0.002 Å
• c: 16.57 ± 0.002 Å
• α: 110.64 ± 0.002°
• β: 92.365 ± 0.002°
• γ: 102.114 ± 0.002°
• Cell volume: 2464.7 ± 0.5 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: 0.092
• Residual factor for significantly intense reflections: 0.0541
• Weighted residual factors for significantly intense reflections: 0.122
• Weighted residual factors for all reflections included in the refinement: 0.1351
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No