Information card for entry 4343440

Structure parameters

• Common name: [Cu6BO3(L)(OH)(DMF)(H20)3]2[BF4]2*12(DMF)*8(EtOH)*4(H2O) (3)
• Formula: C148 H269 B6 Cu12 F16 N26 O52
• Calculated formula: C96 H122 B6 Cu12 F16 N14 O28
• Title of publication: Antiferromagnetically Coupled Dimeric Dodecacopper Supramolecular Architectures of Macrocyclic Ligands with a Symmetrical μ6-BO3(3-) Central Moiety.
• Authors of publication: Tandon, Santokh S.; Bunge, Scott D.; Toth, Sara A.; Sanchiz, Joaquin; Thompson, Laurence K.; Shelley, Jacob T.
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 14
• Pages of publication: 6873 - 6884
• a: 32.74 ± 0.005 Å
• b: 15.232 ± 0.002 Å
• c: 33.008 ± 0.004 Å
• α: 90°
• β: 99.255 ± 0.004°
• γ: 90°
• Cell volume: 16247 ± 4 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 7
• 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: 0.1089
• Residual factor for significantly intense reflections: 0.0618
• Weighted residual factors for significantly intense reflections: 0.1677
• Weighted residual factors for all reflections included in the refinement: 0.1838
• Goodness-of-fit parameter for all reflections included in the refinement: 0.917
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No