Information card for entry 2005916

Structure parameters

• Formula: C27.7 H36.3 B Cu F4 N4.7 O2.3
• Calculated formula: C27.7 H35.1 B Cu F4 N4.7 O2.3
• Title of publication: [6-(2-Pyridylmethyl)-2,6,10-triazaundecane-1,11-diylbis(2-phenolato)(1 ‒)]copper(II) Tetrafluoroborate Methanol Acetonitrile Solvate (1/1/0.3/0.7)
• Authors of publication: Fenton, D. E.; He, Q.-Y.; McKee, V.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1997
• Journal volume: 53
• Journal issue: 2
• Pages of publication: 207 - 209
• a: 10.73 ± 0.001 Å
• b: 27.197 ± 0.004 Å
• c: 10.127 ± 0.002 Å
• α: 90°
• β: 99.44 ± 0.01°
• γ: 90°
• Cell volume: 2915.3 ± 0.8 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 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: 0.0855
• Residual factor for significantly intense reflections: 0.0524
• Weighted residual factors for all reflections: 0.1273
• Weighted residual factors for significantly intense reflections: 0.1024
• Goodness-of-fit parameter for all reflections: 1.179
• Goodness-of-fit parameter for significantly intense reflections: 1.216
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No