Information card for entry 7020771

Structure parameters

• Formula: C77 H91.5 B4 Cu4 F16 N28 O9.5
• Calculated formula: C76 H87.52 B Cu4 F4 N28 O8.52
• Title of publication: A self-assembled Cu(ii)(4) [2 ×2] grid with organic radicals.
• Authors of publication: Shuvaev, Konstantin V.; Sproules, Stephen; Rautiainen, J. Mikko; McInnes, Eric J. L.; Collison, David; Anson, Christopher E.; Powell, Annie K.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 7
• Pages of publication: 2371 - 2381
• a: 24.891 ± 0.004 Å
• b: 24.891 ± 0.004 Å
• c: 14.388 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8914 ± 3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 88
• Hermann-Mauguin space group symbol: I 41/a :2
• Hall space group symbol: -I 4ad
• Residual factor for all reflections: 0.0941
• Residual factor for significantly intense reflections: 0.0604
• Weighted residual factors for significantly intense reflections: 0.1491
• Weighted residual factors for all reflections included in the refinement: 0.1612
• Goodness-of-fit parameter for all reflections included in the refinement: 0.993
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No