Information card for entry 7040009

Structure parameters

• Chemical name: unk
• Formula: C52 H56 Cu N4 O8
• Calculated formula: C52 H56 Cu N4 O8
• SMILES: c12c(c(cc(c1)C(C)(C)C)C(C)(C)C)O[Cu]1(N2c2ccccc2Oc2ccccc2N(=O)=O)N(c2c(c(cc(c2)C(C)(C)C)C(C)(C)C)O1)c1ccccc1Oc1ccccc1N(=O)=O
• Title of publication: An unprecedented one-step synthesis of octahedral Cu(ii)-bis(iminoquinone) complexes and their reactivity with NaBH4.
• Authors of publication: Mondal, Manas Kumar; Mukherjee, Chandan
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 34
• Pages of publication: 13532 - 13540
• a: 27.611 ± 0.002 Å
• b: 9.739 ± 0.0008 Å
• c: 18.7464 ± 0.0014 Å
• α: 90°
• β: 105.248 ± 0.008°
• γ: 90°
• Cell volume: 4863.5 ± 0.7 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.115
• Residual factor for significantly intense reflections: 0.06
• Weighted residual factors for significantly intense reflections: 0.1482
• Weighted residual factors for all reflections included in the refinement: 0.1682
• Goodness-of-fit parameter for all reflections included in the refinement: 0.985
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No