Information card for entry 7217077

Structure parameters

• Formula: C36 H28 Ba2 N O22 Zn0
• Calculated formula: C36 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: 10.2726 ± 0.0004 Å
• b: 13.3346 ± 0.0005 Å
• c: 15.2745 ± 0.0006 Å
• α: 100.554 ± 0.004°
• β: 107.524 ± 0.004°
• γ: 99.341 ± 0.003°
• Cell volume: 1907.96 ± 0.14 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0418
• Residual factor for significantly intense reflections: 0.0328
• Weighted residual factors for significantly intense reflections: 0.0769
• Weighted residual factors for all reflections included in the refinement: 0.0824
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No