Information card for entry 7015108

Structure parameters

• Formula: C22 H33 Cl2 Co N7 O8
• Calculated formula: C22 H33 Cl2 Co N7 O8
• SMILES: C1C[NH]2CC[N]34CC[NH]5CC[N]61Cc1cccc[n]1[Co]2456[n]1c(C3)cccc1.C(#N)C.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O
• Title of publication: trans-Methylpyridine cyclen versus cross-bridged trans-methylpyridine cyclen. Synthesis, acid-base and metal complexation studies (metal = Co2+, Cu2+, and Zn2+).
• Authors of publication: Bernier, Nicolas; Costa, Judite; Delgado, Rita; Félix, Vítor; Royal, Guy; Tripier, Raphaël
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 17
• Pages of publication: 4514 - 4526
• a: 9.3783 ± 0.0004 Å
• b: 15.2216 ± 0.0006 Å
• c: 9.916 ± 0.0004 Å
• α: 90°
• β: 98.367 ± 0.004°
• γ: 90°
• Cell volume: 1400.47 ± 0.1 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 ± 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: 0.0272
• Residual factor for significantly intense reflections: 0.0265
• Weighted residual factors for significantly intense reflections: 0.0664
• Weighted residual factors for all reflections included in the refinement: 0.0671
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No