Information card for entry 7026962

Structure parameters

• Formula: C50 H62 Cl4 Cu3 N14 O15
• Calculated formula: C50 H48 Cl4 Cu3 N14 O15
• Title of publication: A facile one-pot synthesis of a new cryptand via a Pd(II)-catalysed carbonylation reaction.
• Authors of publication: Knight, James C.; Prabaharan, Ravi; Ward, Benjamin D.; Amoroso, Angelo J.; Edwards, Peter G.; Kariuki, Benson M.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 42
• Pages of publication: 10031 - 10033
• a: 29.8786 ± 0.0014 Å
• b: 15.382 ± 0.0007 Å
• c: 14.5746 ± 0.0009 Å
• α: 90°
• β: 116.219 ± 0.002°
• γ: 90°
• Cell volume: 6009.2 ± 0.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• 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: 0.1368
• Residual factor for significantly intense reflections: 0.0822
• Weighted residual factors for significantly intense reflections: 0.208
• Weighted residual factors for all reflections included in the refinement: 0.2395
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No