Information card for entry 7212219

Structure parameters

• Formula: C58 H49 Cu5 N8 O18
• Calculated formula: C58 H49 Cu5 N8 O18
• Title of publication: Three isolated structural motifs in one crystal: penetration of two 1D chains through large cavities within 2D polymeric sheets
• Authors of publication: Nadeem, Muhammad Arif; Bhadbhade, Mohan; Bircher, Roland; Stride, John Arron
• Journal of publication: CrystEngComm
• Year of publication: 2010
• Journal volume: 12
• Journal issue: 5
• Pages of publication: 1391
• a: 15.9264 ± 0.0005 Å
• b: 18.2649 ± 0.0006 Å
• c: 19.6173 ± 0.0006 Å
• α: 90°
• β: 106.103 ± 0.001°
• γ: 90°
• Cell volume: 5482.7 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0375
• Residual factor for significantly intense reflections: 0.0304
• Weighted residual factors for significantly intense reflections: 0.0985
• Weighted residual factors for all reflections included in the refinement: 0.1073
• Goodness-of-fit parameter for all reflections included in the refinement: 0.851
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No