Information card for entry 7012493

Structure parameters

• Formula: C17.5 H32 Cu N6 O6.5
• Calculated formula: C17.5 H32 Cu N6 O6.5
• Title of publication: Macrocyclic ligand design. Interaction of a series of successively N-benzylated derivatives of 1,4,8,11-tetraazacyclotetradecane (cyclam) with copper(ii) and nickel(ii)
• Authors of publication: Dong, Ying; Lawrance, Geoffrey A.; Lindoy, Leonard F.; Turner, Peter
• Journal of publication: Dalton Transactions
• Year of publication: 2003
• Journal issue: 8
• Pages of publication: 1567
• a: 16.021 ± 0.0017 Å
• b: 19.181 ± 0.002 Å
• c: 15.6723 ± 0.0016 Å
• α: 90°
• β: 104.095 ± 0.002°
• γ: 90°
• Cell volume: 4671.1 ± 0.8 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.141
• Residual factor for significantly intense reflections: 0.0672
• Weighted residual factors for significantly intense reflections: 0.1784
• Weighted residual factors for all reflections included in the refinement: 0.2226
• Goodness-of-fit parameter for all reflections included in the refinement: 1.235
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No