Information card for entry 7702238

Structure parameters

• Formula: C93 H168 Al6 Cl6 Cu7 N14 O75
• Calculated formula: C72 H84 Al6 Cl6 Cu7 N13.9998 O53.9994
• Title of publication: Cages on a plane: a structural matrix for molecular 'sheets'.
• Authors of publication: Fraser, Hector W. L.; Nichol, Gary S.; Baldansuren, Amgalanbaatar; McInnes, Eric J. L.; Brechin, Euan K.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 43
• Pages of publication: 15530 - 15537
• a: 27.8468 ± 0.0006 Å
• b: 27.8468 ± 0.0006 Å
• c: 17.6945 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 11882.8 ± 0.6 ų
• Cell temperature: 120.01 ± 0.1 K
• Ambient diffraction temperature: 120.01 ± 0.1 K
• Number of distinct elements: 7
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0642
• Residual factor for significantly intense reflections: 0.0561
• Weighted residual factors for significantly intense reflections: 0.1635
• Weighted residual factors for all reflections included in the refinement: 0.1697
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No