Information card for entry 7102974

Structure parameters

• Formula: C93.25 H93.75 Cu1.5 N4.15 O21.5
• Calculated formula: C86.25 H75.75 Cu1.5 N2.15 O18.5
• Title of publication: A soft coordination polymer derived from container molecule ligands.
• Authors of publication: Mough, Scott T; Holman, K Travis
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2008
• Journal issue: 12
• Pages of publication: 1407 - 1409
• a: 53.319 ± 0.006 Å
• b: 15.9118 ± 0.0016 Å
• c: 22.444 ± 0.002 Å
• α: 90°
• β: 102.719 ± 0.002°
• γ: 90°
• Cell volume: 18574 ± 3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1775
• Residual factor for significantly intense reflections: 0.0946
• Weighted residual factors for significantly intense reflections: 0.2458
• Weighted residual factors for all reflections included in the refinement: 0.2815
• Goodness-of-fit parameter for all reflections included in the refinement: 0.866
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No