Information card for entry 7102371

Structure parameters

• Formula: C14 H12 Cu N2 O4
• Calculated formula: C14 H12 Cu N2 O4
• 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: 12.721 ± 0.0018 Å
• b: 7.7387 ± 0.0011 Å
• c: 14.005 ± 0.002 Å
• α: 90°
• β: 108.106 ± 0.002°
• γ: 90°
• Cell volume: 1310.4 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0641
• Residual factor for significantly intense reflections: 0.0447
• Weighted residual factors for significantly intense reflections: 0.1049
• Weighted residual factors for all reflections included in the refinement: 0.1139
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No