Information card for entry 4106238

Structure parameters

• Formula: C33.5 H21.5 F2 N2.5 O8.5 Zn2
• Calculated formula: C33.5 H18 F2 N2.5 O8.5 Zn2
• Title of publication: Soft Secondary Building Unit: Dynamic Bond Rearrangement on Multinuclear Core of Porous Coordination Polymers in Gas Media
• Authors of publication: Joobeom Seo; Charlotte Bonneau; Ryotaro Matsuda; Masaki Takata; Susumu Kitagawa
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2011
• Journal volume: 133
• Pages of publication: 9005 - 9013
• a: 10.903 ± 0.002 Å
• b: 10.96 ± 0.002 Å
• c: 14.84 ± 0.003 Å
• α: 82.55 ± 0.03°
• β: 85.61 ± 0.03°
• γ: 88.79 ± 0.03°
• Cell volume: 1753.1 ± 0.6 ų
• Cell temperature: 93.15 K
• Ambient diffraction temperature: 93.15 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: 0.1411
• Residual factor for significantly intense reflections: 0.1139
• Weighted residual factors for significantly intense reflections: 0.2844
• Weighted residual factors for all reflections included in the refinement: 0.31
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.710747 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No