Information card for entry 4334973

Structure parameters

• Formula: C27 H19 N O18 Ti Zn3
• Calculated formula: C27 H19 N O18 Ti Zn3
• Title of publication: Unique Coordination-Based Heterometallic Approach for the Stoichiometric Inclusion of High-Valent Metal Ions in a Porous Metal-Organic Framework
• Authors of publication: Keunil Hong; Woojeong Bak; Hyungphil Chun
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 5645 - 5647
• a: 16.472 ± 0.003 Å
• b: 14.628 ± 0.003 Å
• c: 21.029 ± 0.004 Å
• α: 90°
• β: 97.01 ± 0.03°
• γ: 90°
• Cell volume: 5029.1 ± 1.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0739
• Residual factor for significantly intense reflections: 0.0658
• Weighted residual factors for significantly intense reflections: 0.2033
• Weighted residual factors for all reflections included in the refinement: 0.2151
• Goodness-of-fit parameter for all reflections included in the refinement: 1.115
• Diffraction radiation wavelength: 0.7 Å
• Diffraction radiation type: Synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No