Information card for entry 4315664

Structure parameters

• Common name: FeCuBPTC-5
• Chemical name: FeCuBPTC-5
• Formula: C30 H14 Cu2 Fe O15.33
• Calculated formula: C30 H14 Cu2 Fe O15.3333
• Title of publication: Metal-Dependent Phase Selection in Coordination Polymers Derived from a C2v-Symmetric Tricarboxylate
• Authors of publication: Choong-Sun Lim; Jennifer K. Schnobrich; Antek G. Wong-Foy; Adam J. Matzger
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 5271 - 5275
• a: 18.452 ± 0.003 Å
• b: 18.452 ± 0.003 Å
• c: 40.925 ± 0.011 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 12067 ± 4 ų
• Cell temperature: 253 ± 2 K
• Ambient diffraction temperature: 253 ± 2 K
• Number of distinct elements: 5
• Space group number: 194
• Hermann-Mauguin space group symbol: P 63/m m c
• Hall space group symbol: -P 6c 2c
• Residual factor for all reflections: 0.0509
• Residual factor for significantly intense reflections: 0.0418
• Weighted residual factors for significantly intense reflections: 0.1094
• Weighted residual factors for all reflections included in the refinement: 0.1141
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No