Information card for entry 7015312

Structure parameters

• Formula: C24 H24 Cl Co N6 O9
• Calculated formula: C24 H24 Cl Co N6 O9
• SMILES: [Co]1234(N(C#N)C(c5cccc[n]15)(c1cccc[n]21)O)[n]1ccccc1C(c1cccc[n]31)(O4)OC.Cl(=O)(=O)(=O)[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: 13.1311 ± 0.0016 Å
• b: 11.9402 ± 0.0015 Å
• c: 16.985 ± 0.002 Å
• α: 90°
• β: 100.938 ± 0.002°
• γ: 90°
• Cell volume: 2614.7 ± 0.6 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 6
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0606
• Residual factor for significantly intense reflections: 0.057
• Weighted residual factors for significantly intense reflections: 0.1508
• Weighted residual factors for all reflections included in the refinement: 0.153
• Goodness-of-fit parameter for all reflections included in the refinement: 1.133
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No