Information card for entry 7027234

Structure parameters

• Formula: C42 H64 Br2 Cl2 N10 O10 S2 Zn2
• Calculated formula: C42 H52 Br2 Cl2 N10 O10 S2 Zn2
• Title of publication: Solution and solid state structures of binuclear zinc(II) complexes of bis(pentadentate) ligands derived from bis(1,4,7-triazacyclononane) macrocycles
• Authors of publication: J. Brudenell, Suzanne; Spiccia, Leone; C. R. Hockless, David; R. T. Tiekink, Edward
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 1999
• Journal issue: 9
• Pages of publication: 1475
• a: 8.103 ± 0.001 Å
• b: 13.576 ± 0.002 Å
• c: 13.987 ± 0.002 Å
• α: 111.59 ± 0.01°
• β: 105.18 ± 0.01°
• γ: 95.82 ± 0.01°
• Cell volume: 1346.8 ± 0.4 ų
• Cell temperature: 296.2 K
• Ambient diffraction temperature: 296.2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0864
• Residual factor for significantly intense reflections: 0.0546
• Weighted residual factors for all reflections: 0.0723
• Weighted residual factors for all reflections included in the refinement: 0.0702
• Goodness-of-fit parameter for all reflections: 2.96
• Goodness-of-fit parameter for all reflections included in the refinement: 3.449
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No