Information card for entry 4110295

Structure parameters

• Formula: C79.19 H90.83 I6 N12 O3.22 Zn3
• Calculated formula: C79.371 H91.356 I6 N12 O3.307 Zn3
• Title of publication: The Modular Synthesis of Functional Porous Coordination Networks
• Authors of publication: Masaki Kawano; Takehide Kawamichi; Tsuyoshi Haneda; Takahiro Kojima; Makoto Fujita
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2007
• Journal volume: 129
• Pages of publication: 15418 - 15419
• a: 27.59 ± 0.006 Å
• b: 13.673 ± 0.003 Å
• c: 45.606 ± 0.009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 17204 ± 6 ų
• Cell temperature: 82 ± 2 K
• Ambient diffraction temperature: 82 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0847
• Residual factor for significantly intense reflections: 0.0442
• Weighted residual factors for significantly intense reflections: 0.0917
• Weighted residual factors for all reflections included in the refinement: 0.107
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No