Information card for entry 7040008

Structure parameters

• Chemical name: unk
• Formula: C41 H52 Cl4 Cu N2 O2
• Calculated formula: C41 H52 Cl4 Cu N2 O2
• 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: 9.5682 ± 0.0005 Å
• b: 20.2538 ± 0.0011 Å
• c: 11.7161 ± 0.0008 Å
• α: 90°
• β: 99.951 ± 0.005°
• γ: 90°
• Cell volume: 2236.3 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.0663
• Residual factor for significantly intense reflections: 0.052
• Weighted residual factors for significantly intense reflections: 0.1485
• Weighted residual factors for all reflections included in the refinement: 0.1608
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No