Information card for entry 7113260

Structure parameters

• Common name: AC693 2
• Formula: C8 H8 Cu N6 O4
• Calculated formula: C8 H8 Cu N6 O4
• Title of publication: Solvothermal vs. bench-top reactions: Control over the formation of discrete complexes and coordination polymers
• Authors of publication: Chesman, Anthony S. R.; Turner, David R.; Price, David J.; Moubaraki, Boujemaa; Murray, Keith S.; Deacon, Glen B.; Batten, Stuart R.
• Journal of publication: Chemical Communications (Cambridge, United Kingdom)
• Year of publication: 2007
• Journal issue: 34
• Pages of publication: 3541 - 3543
• a: 11.6289 ± 0.0008 Å
• b: 6.7788 ± 0.0008 Å
• c: 7.3868 ± 0.0013 Å
• α: 90°
• β: 104.975 ± 0.004°
• γ: 90°
• Cell volume: 562.53 ± 0.13 ų
• Cell temperature: 123 ± 1 K
• Ambient diffraction temperature: 93 ± 1 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1084
• Residual factor for significantly intense reflections: 0.0467
• Weighted residual factors for significantly intense reflections: 0.075
• Weighted residual factors for all reflections included in the refinement: 0.0917
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Duplicate of: 7102108
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No