Information card for entry 4326291

Structure parameters

• Formula: C25 H54 N6
• Calculated formula: C25 H54 N6
• Title of publication: An Unusually Flexible Expanded Hexaamine Cage and Its CuII Complexes: Variable Coordination Modes and Incomplete Encapsulation
• Authors of publication: Chang-Jin Qin; Lloyd James; Jy D. Chartres; Leighton J. Alcock; Kimberley J. Davis; Anthony C. Willis; Alan M. Sargeson; Paul V. Bernhardt; Stephen F. Ralph
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 9131 - 9140
• a: 10.2473 ± 0.0001 Å
• b: 11.4242 ± 0.0002 Å
• c: 12.9246 ± 0.0002 Å
• α: 96.5163 ± 0.0008°
• β: 112.77 ± 0.0009°
• γ: 100.383 ± 0.001°
• Cell volume: 1343.98 ± 0.04 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0506
• Residual factor for significantly intense reflections: 0.042
• Weighted residual factors for all reflections: 0.1138
• Weighted residual factors for significantly intense reflections: 0.1072
• Weighted residual factors for all reflections included in the refinement: 0.1138
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9937
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No