Information card for entry 7115498

Structure parameters

• Formula: C130 H130 Cl N10 O4
• Calculated formula: C130 H130 Cl N10 O4
• Title of publication: Anion-induced dimerization of 5-fold symmetric cyanostars in 3D crystalline solids and 2D self-assembled crystals
• Authors of publication: Brandon E. Hirsch; Semin Lee; Bo Qiao; Chun-Hsing Chen; Kevin P. McDonald; Steven L. Tait; Amar H. Flood
• Journal of publication: Chem.Commun.
• Year of publication: 2014
• Journal volume: 50
• Pages of publication: 9827
• a: 14.1468 ± 0.0013 Å
• b: 14.5133 ± 0.0013 Å
• c: 16.7542 ± 0.0015 Å
• α: 103.78 ± 0.001°
• β: 102.619 ± 0.001°
• γ: 99.907 ± 0.001°
• Cell volume: 3167.8 ± 0.5 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1806
• Residual factor for significantly intense reflections: 0.1546
• Weighted residual factors for all reflections: 0.4455
• Weighted residual factors for significantly intense reflections: 0.3955
• Weighted residual factors for all reflections included in the refinement: 0.4452
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.41328 Å
• Diffraction radiation type: Synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No