Information card for entry 7103335

Structure parameters

• Formula: C81 H49 K0.5 O20.5 Zn4.75
• Calculated formula: C81 H48 K0.5 O20.5 Zn4.75
• Title of publication: Two highly-connected, chiral, porous coordination polymers featuring novel heptanuclear metal carboxylate clusters.
• Authors of publication: Hou, Lei; Zhang, Jie-Peng; Chen, Xiao-Ming; Ng, Seik Weng
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2008
• Journal issue: 34
• Pages of publication: 4019 - 4021
• a: 32.441 ± 0.002 Å
• b: 32.441 ± 0.002 Å
• c: 47.814 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 50320 ± 4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 98
• Hermann-Mauguin space group symbol: I 41 2 2
• Hall space group symbol: I 4bw 2bw
• Residual factor for all reflections: 0.1128
• Residual factor for significantly intense reflections: 0.0594
• Weighted residual factors for significantly intense reflections: 0.1273
• Weighted residual factors for all reflections included in the refinement: 0.1429
• Goodness-of-fit parameter for all reflections included in the refinement: 0.951
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No