Information card for entry 1543556

Structure parameters

• Formula: C43 H46 Br0 Cl0 N2 O19 Zn2
• Calculated formula: C43 H46 N2 O19 Zn2
• Title of publication: Synthesis and DNA photocleaving activities of ancillary ligand-containing zinc complexes of quaternized carboxylates
• Authors of publication: Jin-Xiang Chen; Wei-Er Lin; Ming Chen; Fu-Chang Que; Lei Tao; Xue-Lan Cen; Yang-Ming Zhou; Wen-Hua Chen
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2014
• Pages of publication: 195 - 201
• a: 9.0713 ± 0.0012 Å
• b: 9.5507 ± 0.0013 Å
• c: 14.686 ± 0.002 Å
• α: 105.453 ± 0.002°
• β: 93.783 ± 0.002°
• γ: 111.641 ± 0.002°
• Cell volume: 1120.6 ± 0.3 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0476
• Residual factor for significantly intense reflections: 0.0398
• Weighted residual factors for significantly intense reflections: 0.1291
• Weighted residual factors for all reflections included in the refinement: 0.1403
• 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