Information card for entry 7015310

Structure parameters

• Formula: C22 H18 Cl2 Cu2 N8 O8
• Calculated formula: C22 H18 Cl2 Cu2 N8 O8
• SMILES: C1#[N][Cu]2([n]3c(c4[n]2cccc4)cccc3)(NC#[N][Cu]2([n]3c(c4cccc[n]24)cccc3)(N1)OCl(=O)(=O)=O)OCl(=O)(=O)=O
• Title of publication: Hydrogencyanamido bridged multinuclear copper(ii) complexes: from strong antiferromagnetic couplings to weak ferromagnetic couplings.
• Authors of publication: Kang, Ling-Chen; Chen, Xin; Wang, Xi-Sen; Li, Yi-Zhi; Song, You; Zuo, Jing-Lin; You, Xiao-Zeng
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 19
• Pages of publication: 5200 - 5209
• a: 8.2913 ± 0.0018 Å
• b: 8.9194 ± 0.0019 Å
• c: 9.332 ± 0.002 Å
• α: 94.661 ± 0.004°
• β: 99.624 ± 0.004°
• γ: 101.893 ± 0.004°
• Cell volume: 661 ± 0.2 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0424
• Residual factor for significantly intense reflections: 0.0378
• Weighted residual factors for significantly intense reflections: 0.0974
• Weighted residual factors for all reflections included in the refinement: 0.0993
• Goodness-of-fit parameter for all reflections included in the refinement: 0.993
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No