Information card for entry 7015311

Structure parameters

• Formula: C72 H64 Cl4 Cu6 N16 O28
• Calculated formula: C72 H64 Cl4 Cu6 N16 O28
• 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: 13.5171 ± 0.0016 Å
• b: 22.228 ± 0.003 Å
• c: 18.754 ± 0.0017 Å
• α: 90°
• β: 131.76 ± 0.005°
• γ: 90°
• Cell volume: 4203.2 ± 0.9 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 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: 0.0872
• Residual factor for significantly intense reflections: 0.0555
• Weighted residual factors for significantly intense reflections: 0.1213
• Weighted residual factors for all reflections included in the refinement: 0.129
• Goodness-of-fit parameter for all reflections included in the refinement: 1.091
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No