Information card for entry 7045780

Structure parameters

• Formula: C20 H28 Cl2 Cu N5 O
• Calculated formula: C20 H28 Cl2 Cu N5 O
• Title of publication: Versatile synthesis of chiral 6-oxoverdazyl radical ligands - new building blocks for multifunctional molecule-based magnets.
• Authors of publication: Solea, Atena B.; Wohlhauser, Tobie; Abbasi, Parisa; Mongbanziama, Yvan; Crochet, Aurelien; Fromm, Katharina M.; Novitchi, Ghenadie; Train, Cyrille; Pilkington, Melanie; Mamula, Olimpia
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 14
• Pages of publication: 4785 - 4789
• a: 13.0978 ± 0.0009 Å
• b: 11.0063 ± 0.0007 Å
• c: 16.8554 ± 0.0014 Å
• α: 90°
• β: 105.955 ± 0.006°
• γ: 90°
• Cell volume: 2336.2 ± 0.3 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.2226
• Residual factor for significantly intense reflections: 0.0759
• Weighted residual factors for significantly intense reflections: 0.1514
• Weighted residual factors for all reflections included in the refinement: 0.2174
• Goodness-of-fit parameter for all reflections included in the refinement: 0.913
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No