Information card for entry 4343438

Structure parameters

• Common name: [Cu6(M4)(BO3)(DMF)2(H2O)(BF4)]2(BF4)4*(DMF)6 (1)
• Formula: C102 H146 B8 Cu12 F24 N22 O30
• Calculated formula: C84 H100 B8 Cu12 F25 N16 O24
• 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: 37.28 ± 0.008 Å
• b: 16.837 ± 0.003 Å
• c: 21.551 ± 0.004 Å
• α: 90°
• β: 92.991 ± 0.003°
• γ: 90°
• Cell volume: 13509 ± 5 ų
• Cell temperature: 188 ± 2 K
• Ambient diffraction temperature: 188 ± 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: 0.1204
• Residual factor for significantly intense reflections: 0.0674
• Weighted residual factors for significantly intense reflections: 0.1858
• Weighted residual factors for all reflections included in the refinement: 0.2036
• Goodness-of-fit parameter for all reflections included in the refinement: 0.977
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No