Information card for entry 4131439

Structure parameters

• Formula: C97 H93 Cl6 N11 O14
• Calculated formula: C97 H93 Cl6 N11 O14
• Title of publication: Attachment of a Ru^II Complex to a Self-Folding Hexaamide Deep Cavitand.
• Authors of publication: Korom, Saša; Ballester, Pablo
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2017
• Journal volume: 139
• Journal issue: 35
• Pages of publication: 12109 - 12112
• a: 15.653 ± 0.0014 Å
• b: 16.8518 ± 0.0017 Å
• c: 21.323 ± 0.003 Å
• α: 97.556 ± 0.004°
• β: 101.633 ± 0.004°
• γ: 117.144 ± 0.003°
• Cell volume: 4738.4 ± 0.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.1543
• Residual factor for significantly intense reflections: 0.1114
• Weighted residual factors for significantly intense reflections: 0.3108
• Weighted residual factors for all reflections included in the refinement: 0.3323
• Goodness-of-fit parameter for all reflections included in the refinement: 1.962
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No