Information card for entry 4500491

Structure parameters

• Common name: Cu-Nitroisophthalate
• Formula: C9 H5 Cu2 N6 O10
• Calculated formula: C9 H5 Cu2 N6 O10
• Title of publication: High-Throughput Study of the Cu(CH3COO)2·H2O−5-Nitroisophthalic Acid−Heterocyclic Ligand System: Synthesis, Structure, Magnetic, and Heterogeneous Catalytic Studies of Three Copper Nitroisophthalates
• Authors of publication: Sarma, Debajit; Ramanujachary, K. V.; Stock, Norbert; Natarajan, Srinivasan
• Journal of publication: Crystal Growth & Design
• Year of publication: 2011
• Journal volume: 11
• Journal issue: 4
• Pages of publication: 1357
• a: 6.4094 ± 0.0015 Å
• b: 14.857 ± 0.004 Å
• c: 16.066 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1529.9 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0656
• Residual factor for significantly intense reflections: 0.049
• Weighted residual factors for significantly intense reflections: 0.1113
• Weighted residual factors for all reflections included in the refinement: 0.1216
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No