Information card for entry 7217078

Structure parameters

• Formula: C35 H28 Ba2 N O22
• Calculated formula: C35 H28 Ba2 N O22
• Title of publication: Structure versatility of coordination polymers constructed from a semirigid ligand and polynuclear metal clusters
• Authors of publication: Yang, De-Liang; Zhang, Xin; Yao, Yuan-Gen; Zhang, Jian
• Journal of publication: CrystEngComm
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 34
• Pages of publication: 8047
• a: 10.2724 ± 0.0006 Å
• b: 13.3126 ± 0.0007 Å
• c: 15.2949 ± 0.001 Å
• α: 100.307 ± 0.005°
• β: 107.572 ± 0.006°
• γ: 100.414 ± 0.005°
• Cell volume: 1899.4 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0672
• Residual factor for significantly intense reflections: 0.0447
• Weighted residual factors for significantly intense reflections: 0.0941
• Weighted residual factors for all reflections included in the refinement: 0.1102
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No