Information card for entry 4334425

Structure parameters

• Formula: C34 H40 Cu F6 N4 O8 S2
• Calculated formula: C34 H40 Cu F6 N4 O8 S2
• Title of publication: Porous Coordination Polymer Polymorphs with Different Flexible Pores Using a Structurally Flexible and Bent 1,3-Bis(4-pyridyl)propane Ligand
• Authors of publication: Katsuo Fukuhara; Shin-ichiro Noro; Kunihisa Sugimoto; Tomoyuki Akutagawa; Kazuya Kubo; Takayoshi Nakamura
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 4229 - 4237
• a: 12.3248 ± 0.0006 Å
• b: 17.1869 ± 0.0006 Å
• c: 19.2754 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4083 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 36
• Hermann-Mauguin space group symbol: C m c 21
• Hall space group symbol: C 2c -2
• Residual factor for all reflections: 0.0466
• Residual factor for significantly intense reflections: 0.0452
• Weighted residual factors for significantly intense reflections: 0.1255
• Weighted residual factors for all reflections included in the refinement: 0.1278
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No