Information card for entry 7020770

Structure parameters

• Formula: C77 H90 B4 Cu4 F16 N28 O11
• Calculated formula: C76 H86 B Cu4 F4 N28 O10
• 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: 24.9162 ± 0.0016 Å
• b: 24.9162 ± 0.0016 Å
• c: 14.2676 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8857.6 ± 1 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: 0.0876
• Residual factor for significantly intense reflections: 0.0622
• Weighted residual factors for significantly intense reflections: 0.1548
• Weighted residual factors for all reflections included in the refinement: 0.169
• Goodness-of-fit parameter for all reflections included in the refinement: 1.088
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No