Information card for entry 4342507

Structure parameters

• Formula: C113 H150.5 Cl3 Cu3 K3 N9 O25.75
• Calculated formula: C113 H146.5 Cl3 Cu3 K3 N9 O25.75
• Title of publication: A family of tri- and dimetallic pyridine dicarboxamide cryptates: unusual o,n,o-coordination and facile access to secondary coordination sphere hydrogen bonding interactions.
• Authors of publication: Guillet, Gary L.; Gordon, Jesse B.; Di Francesco, Gianna N.; Calkins, Matthew W.; Čižmár, Erik; Abboud, Khalil A.; Meisel, Mark W.; García-Serres, Ricardo; Murray, Leslie J.
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 6
• Pages of publication: 2691 - 2704
• a: 24.8803 ± 0.0009 Å
• b: 28.4809 ± 0.0008 Å
• c: 54.2721 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 38458 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.3381
• Residual factor for significantly intense reflections: 0.2159
• Weighted residual factors for significantly intense reflections: 0.459
• Weighted residual factors for all reflections included in the refinement: 0.5138
• Goodness-of-fit parameter for all reflections included in the refinement: 2.321
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No