Information card for entry 4343442

Structure parameters

• Common name: [Cu2(L)(BF4)(HOCH3)]BF4 (6)
• Formula: C25 H30 B2 Cu2 F8 N4 O5
• Calculated formula: C25 H26 B2 Cu2 F8 N4 O5
• 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: 12.0563 ± 0.0012 Å
• b: 16.7837 ± 0.0017 Å
• c: 14.0937 ± 0.0014 Å
• α: 90°
• β: 92.807 ± 0.002°
• γ: 90°
• Cell volume: 2848.4 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0699
• Residual factor for significantly intense reflections: 0.045
• Weighted residual factors for significantly intense reflections: 0.1149
• Weighted residual factors for all reflections included in the refinement: 0.1364
• Goodness-of-fit parameter for all reflections included in the refinement: 0.823
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No