Information card for entry 4110293

Structure parameters

• Formula: C79.2 H79.4 I6 N13 O2 Zn3
• Calculated formula: C80.082 H81.164 I6 N13 O2 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: 27.881 ± 0.006 Å
• b: 13.675 ± 0.003 Å
• c: 45.714 ± 0.009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 17429 ± 6 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 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: 0.0697
• Residual factor for significantly intense reflections: 0.048
• Weighted residual factors for significantly intense reflections: 0.1124
• Weighted residual factors for all reflections included in the refinement: 0.1228
• Goodness-of-fit parameter for all reflections included in the refinement: 1.101
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No