Information card for entry 1512662

Structure parameters

• Formula: C8 H16 Cl Cu N3 O5
• Calculated formula: C8 H16 Cl Cu N3 O5
• Title of publication: Novel tetranuclear distorted open-cubane copper complex containing oximate bridges: Synthesis, crystal structure, DNA binding and cleavage activity
• Authors of publication: Haribabu Pagonda; P. Patil Yogesh; Hussain Reddy Katreddi; Nethaji Munirathinam
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2012
• Journal volume: 392
• Pages of publication: 478 - 484
• a: 13.798 ± 0.004 Å
• b: 13.798 ± 0.004 Å
• c: 14.119 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2688 ± 1.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 114
• Hermann-Mauguin space group symbol: P -4 21 c
• Hall space group symbol: P -4 2n
• Residual factor for all reflections: 0.0652
• Residual factor for significantly intense reflections: 0.0415
• Weighted residual factors for significantly intense reflections: 0.1042
• Weighted residual factors for all reflections included in the refinement: 0.1291
• Goodness-of-fit parameter for all reflections included in the refinement: 1.102
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No