Information card for entry 7049430

Structure parameters

• Formula: C139 H143 Cu6 N12 O40.5
• Calculated formula: C118 H72 Cu6 N5 O30
• Title of publication: Supramolecular interactions induced distortion of BTB ligands: breaking convention to reproduce an unusual (3,4,4)-connected MOF topology.
• Authors of publication: Li, Jiantang; Gu, Jiaming; Zhang, Lirong; Liu, Yunling
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 17
• Pages of publication: 5511 - 5514
• a: 32.634 ± 0.004 Å
• b: 30.916 ± 0.003 Å
• c: 39.284 ± 0.004 Å
• α: 90°
• β: 109.93 ± 0.004°
• γ: 90°
• Cell volume: 37260 ± 7 ų
• Cell temperature: 297 ± 2 K
• Ambient diffraction temperature: 297 ± 2 K
• Number of distinct elements: 5
• 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: 0.1009
• Residual factor for significantly intense reflections: 0.0662
• Weighted residual factors for significantly intense reflections: 0.1999
• Weighted residual factors for all reflections included in the refinement: 0.2217
• Goodness-of-fit parameter for all reflections included in the refinement: 1.087
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No