Information card for entry 7213152

Structure parameters

• Formula: C64 H76 Cl N14 Na O5
• Calculated formula: C64 H71 Cl N14 Na O5
• Title of publication: Chiroptical features and luminescence behaviour of macrocyclic tetra(4-quinolyl)-complexes: surprising absence of exciton coupling
• Authors of publication: Govenlock, Linda J.; Howard, Judith A. K.; Moloney, Janet M.; Parker, David; Peacock, Robert D.; Siligardi, Giuliano
• Journal of publication: Journal of the Chemical Society, Perkin Transactions 2
• Year of publication: 1999
• Journal issue: 11
• Pages of publication: 2415
• a: 12.0573 ± 0.0014 Å
• b: 14.6746 ± 0.0017 Å
• c: 34.231 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6056.7 ± 1.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.1243
• Residual factor for significantly intense reflections: 0.1044
• Weighted residual factors for significantly intense reflections: 0.2813
• Weighted residual factors for all reflections included in the refinement: 0.2916
• Goodness-of-fit parameter for all reflections included in the refinement: 1.092
• Diffraction radiation wavelength: 0.6875 Å
• Diffraction radiation type: synchrotronradiationatDaresburyLaboratory
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No