Information card for entry 4113313

Structure parameters

• Formula: C59.99 H43.99 I6 N12 O1.33 P1.33 Zn3
• Calculated formula: C59.958 H43.965 I6 N12 O1.331 P1.331 Zn3
• Title of publication: Crystal-to-Crystal Guest Exchange of Large Organic Molecules within a 3D Coordination Network
• Authors of publication: Osamu Ohmori; Masaki Kawano; Makoto Fujita
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2004
• Journal volume: 126
• Pages of publication: 16292 - 16293
• a: 34.235 ± 0.004 Å
• b: 14.9104 ± 0.0015 Å
• c: 31.387 ± 0.003 Å
• α: 90°
• β: 101.929 ± 0.002°
• γ: 90°
• Cell volume: 15676 ± 3 ų
• Cell temperature: 80 ± 2 K
• Ambient diffraction temperature: 80 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.2102
• Residual factor for significantly intense reflections: 0.1284
• Weighted residual factors for significantly intense reflections: 0.3122
• Weighted residual factors for all reflections included in the refinement: 0.3689
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No