Information card for entry 4107397

Structure parameters

• Formula: C66 H48 I6 N13 O2.5 Zn3
• Calculated formula: C66 H48 I6 N13 O2.5 Zn3
• Title of publication: Direct Observation of the Labile Imine Formation through Single-Crystal-to-Single-Crystal Reactions in the Pores of a Porous Coordination Network
• Authors of publication: Tsuyoshi Haneda; Masaki Kawano; Takehide Kawamichi; Makoto Fujita
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2008
• Journal volume: 130
• Pages of publication: 1578 - 1579
• a: 28.28 ± 0.003 Å
• b: 14.012 ± 0.002 Å
• c: 44.907 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 17795 ± 4 ų
• Cell temperature: 80 ± 2 K
• Ambient diffraction temperature: 80 ± 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: 0.1151
• Residual factor for significantly intense reflections: 0.0691
• Weighted residual factors for significantly intense reflections: 0.2101
• Weighted residual factors for all reflections included in the refinement: 0.2398
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No