Information card for entry 7206324

Structure parameters

• Formula: C120 H108 N4 O40 Zn8
• Calculated formula: C120 H76 N4 O38.445 Zn8
• Title of publication: A single-crystalline microporous coordination polymer with mixed parallel and diagonal interpenetrating α-Po networks
• Authors of publication: Han, Shuangbing; Ma, Zhenbo; Wei, Yanhu; Kravtsov, Victor Ch.; Luisi, Brian S.; Kulaots, Indrek; Moulton, Brian
• Journal of publication: CrystEngComm
• Year of publication: 2011
• Journal volume: 13
• Journal issue: 15
• Pages of publication: 4838
• a: 29.536 ± 0.002 Å
• b: 29.536 ± 0.002 Å
• c: 41.76 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 31550 ± 5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 151
• Hermann-Mauguin space group symbol: P 31 1 2
• Hall space group symbol: P 31 2 (0 0 4)
• Residual factor for all reflections: 0.1092
• Residual factor for significantly intense reflections: 0.0788
• Weighted residual factors for significantly intense reflections: 0.2074
• Weighted residual factors for all reflections included in the refinement: 0.2165
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No