Information card for entry 4334426

Structure parameters

• Formula: C38 H43 Cu F6 N5 O7 S2
• Calculated formula: C38 H43 Cu F6 N5 O7 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: 13.3195 ± 0.0008 Å
• b: 23.2763 ± 0.0014 Å
• c: 13.8909 ± 0.001 Å
• α: 90°
• β: 102.493 ± 0.002°
• γ: 90°
• Cell volume: 4204.6 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1247
• Residual factor for significantly intense reflections: 0.0822
• Weighted residual factors for significantly intense reflections: 0.2205
• Weighted residual factors for all reflections included in the refinement: 0.2466
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No