Information card for entry 4333036

Structure parameters

• Formula: C14 H14 Cu N2 O8 P2
• Calculated formula: C14 H14 Cu N2 O8 P2
• SMILES: [Cu]12(OP(=O)(NC(=[O]1)c1ccccc1)O)OP(=O)(NC(=[O]2)c1ccccc1)O
• Title of publication: Novel Layered Copper Phosphoramidate, Which Contains Six-Membered Rings Made of Five Different Elements
• Authors of publication: Murugavel, Ramaswamy; Singh, Mayank Pratap
• Journal of publication: Inorganic Chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 23
• Pages of publication: 9154 - 9156
• a: 9.2962 ± 0.0017 Å
• b: 8.9052 ± 0.0017 Å
• c: 21.031 ± 0.003 Å
• α: 90°
• β: 92.144 ± 0.013°
• γ: 90°
• Cell volume: 1739.8 ± 0.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• 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: 0.0545
• Residual factor for significantly intense reflections: 0.0324
• Weighted residual factors for significantly intense reflections: 0.0787
• Weighted residual factors for all reflections included in the refinement: 0.0821
• Goodness-of-fit parameter for all reflections included in the refinement: 0.966
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No