Information card for entry 4110294

Structure parameters

• Formula: C75 H84 I6 N12 O5.07 Zn3
• Calculated formula: C75 H84 I6 N12 O5.118 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: 27.449 ± 0.004 Å
• b: 13.707 ± 0.002 Å
• c: 45.248 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 17024 ± 4 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: 0.1122
• Residual factor for significantly intense reflections: 0.0645
• Weighted residual factors for significantly intense reflections: 0.1578
• Weighted residual factors for all reflections included in the refinement: 0.1811
• Goodness-of-fit parameter for all reflections included in the refinement: 1.12
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No