Information card for entry 7040010

Structure parameters

• Chemical name: unk
• Formula: C52 H56 Cl2 Cu N4 O8
• Calculated formula: C52 H56 Cl2 Cu N4 O8
• SMILES: c12cc(cc(c2=[O][Cu]2([N]=1c1ccccc1Oc1ccccc1N(=O)=O)([O]=c1c(cc(C(C)(C)C)cc1=[N]2c1ccccc1Oc1ccccc1N(=O)=O)C(C)(C)C)(Cl)Cl)C(C)(C)C)C(C)(C)C
• 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: 33.681 ± 0.0016 Å
• b: 16.0902 ± 0.0007 Å
• c: 11.2272 ± 0.0005 Å
• α: 90°
• β: 98.919 ± 0.004°
• γ: 90°
• Cell volume: 6010.8 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.1398
• Residual factor for significantly intense reflections: 0.0739
• Weighted residual factors for significantly intense reflections: 0.1578
• Weighted residual factors for all reflections included in the refinement: 0.1956
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No