Information card for entry 7113257

Structure parameters

• Common name: di(3-amino-3-methoxy- 2nitrosoacrylonitrilate)dimethanolcopper(ii)
• Chemical name: di(3-amino-3-methoxy-2nitrosoacrylonitrilate)dimethanolcopper(II)
• Formula: C10 H16 Cu N6 O6
• Calculated formula: C10 H16 Cu N6 O6
• SMILES: C1(C(C#N)=N([Cu]2([NH]=1)([OH]C)(N(=C(C(=[NH]2)OC)C#N)=O)[OH]C)=O)OC
• 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: 5.3351 ± 0.0001 Å
• b: 15.8068 ± 0.0004 Å
• c: 9.3759 ± 0.0003 Å
• α: 90°
• β: 97.597 ± 0.002°
• γ: 90°
• Cell volume: 783.74 ± 0.04 ų
• Cell temperature: 123 ± 1 K
• Ambient diffraction temperature: 123 ± 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: 0.029
• Residual factor for significantly intense reflections: 0.0273
• Weighted residual factors for significantly intense reflections: 0.0646
• Weighted residual factors for all reflections included in the refinement: 0.0656
• Goodness-of-fit parameter for all reflections included in the refinement: 1.122
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Duplicate of: 7102105
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No