Information card for entry 7012561

Structure parameters

• Formula: C36 H61 Cl3 Cu4 N17 O17 P
• Calculated formula: C36 H61 Cl3 Cu4 N17 O17 P
• Title of publication: Stability and structure of mono- and dinuclear Cu(ii), Ni(ii) and Zn(ii) complexes of pyrazole and triazole bridged bis-macrocyclesElectronic supplementary information (ESI) available: titration curves and species distribution curves. See http://www.rsc.org/suppdata/dt/b2/b212113a/
• Authors of publication: Raidt, Michael; Neuburger, Markus; Kaden, Thomas A.
• Journal of publication: Dalton Transactions
• Year of publication: 2003
• Journal issue: 7
• Pages of publication: 1292
• a: 19.525 ± 0.001 Å
• b: 13.497 ± 0.0003 Å
• c: 21.1452 ± 0.0007 Å
• α: 90°
• β: 97.582 ± 0.004°
• γ: 90°
• Cell volume: 5523.7 ± 0.4 ų
• Cell temperature: 193 K
• Ambient diffraction temperature: 193 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.0537
• Weighted residual factors for all reflections included in the refinement: 0.0486
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0627
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No