Information card for entry 7102370

Structure parameters

• Formula: C21 H30 Cu2 N3 O15.5
• Calculated formula: C21 H17 Cu2 N3 O15.5
• Title of publication: A novel metal-organic ternary topology constructed from triangular, square and tetrahedral molecular building blocks.
• Authors of publication: McManus, Gregory J; Wang, Zhenqiang; Beauchamp, Derek A; Zaworotko, Michael J
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2007
• Journal issue: 48
• Pages of publication: 5212 - 5213
• a: 14.669 ± 0.007 Å
• b: 16.833 ± 0.008 Å
• c: 24.743 ± 0.011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6109 ± 5 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 72
• Hermann-Mauguin space group symbol: I b a m
• Hall space group symbol: -I 2 2c
• Residual factor for all reflections: 0.1534
• Residual factor for significantly intense reflections: 0.0671
• Weighted residual factors for significantly intense reflections: 0.1612
• Weighted residual factors for all reflections included in the refinement: 0.1883
• Goodness-of-fit parameter for all reflections included in the refinement: 0.882
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No