Information card for entry 2013671

Structure parameters

• Chemical name: Bis(acetonitrile-κN)[(1RS,4RS,8SR,11SR)-1,4,8,11-tetraazatetradecane- κ^4^N]copper(II) bis{tetrakis[3,5-bis(trifluoromethyl)phenyl]borate} 0.31-hydrate
• Formula: C78 H54 B2 Cu F48 N6 O0.31
• Calculated formula: C78 H54 B2 Cu F48 N6 O0.32
• Title of publication: Bis(acetonitrile-κ<i>N</i>)[(1<i>RS</i>,4<i>RS</i>,8<i>SR</i>,11<i>SR</i>)-1,4,8,11-tetraazatetradecane-κ^4^<i>N</i>]copper(II) bis{tetrakis[3,5-bis(trifluoromethyl)phenyl]borate} 0.31-hydrate
• Authors of publication: Janet M. S. Skakle; Marcus V. D. Rangel e Silva; James L. Wardell; Solange M. S. V. Wardell
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 10
• Pages of publication: m413 - m415
• a: 25.732 ± 0.0006 Å
• b: 18.3516 ± 0.0004 Å
• c: 17.5412 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8283.4 ± 0.3 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 7
• Space group number: 64
• Hermann-Mauguin space group symbol: C m c a
• Hall space group symbol: -C 2ac 2
• Residual factor for all reflections: 0.0752
• Residual factor for significantly intense reflections: 0.0489
• Weighted residual factors for significantly intense reflections: 0.125
• Weighted residual factors for all reflections included in the refinement: 0.1389
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes