Information card for entry 7113710

Structure parameters

• Formula: C18 H12 Cu2 N3 O6
• Calculated formula: C18 H12 Cu2 N3 O6
• Title of publication: A novel three-dimensional coordination polymer constructed with mixed-valence dimeric copper(I,II) units
• Authors of publication: Tong, Ming-Liang; Li, Li-Jun; Mochizuki, Katsunori; Chang, Ho-Chol; Chen, Xiao-Ming; Li, Ying; Kitagawa, Susumu
• Journal of publication: Chemical Communications (Cambridge, United Kingdom)
• Year of publication: 2003
• Journal issue: 3
• Pages of publication: 428 - 429
• a: 14.148 ± 0.007 Å
• b: 9.007 ± 0.005 Å
• c: 14.649 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1866.7 ± 1.7 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0467
• Residual factor for significantly intense reflections: 0.0446
• Weighted residual factors for significantly intense reflections: 0.113
• Weighted residual factors for all reflections included in the refinement: 0.1144
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: Molybdenum
• Duplicate of: 7103958
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No