Information card for entry 7033348

Structure parameters

• Formula: C83 H110 B2 N8 Ni2 O5
• Calculated formula: C83 H110 B2 N8 Ni2 O5
• Title of publication: Mono- and dinuclear metal complexes containing the 1,5,9-triazacyclododecane ([12]aneN3) unit and their interaction with DNA.
• Authors of publication: Medina-Molner, Alfredo; Rohner, Melanie; Pandiarajan, Devaraj; Spingler, Bernhard
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 8
• Pages of publication: 3664 - 3672
• a: 11.2739 ± 0.0008 Å
• b: 12.8908 ± 0.0009 Å
• c: 14.9803 ± 0.001 Å
• α: 104.807 ± 0.008°
• β: 97.878 ± 0.009°
• γ: 107.244 ± 0.008°
• Cell volume: 1956 ± 0.3 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.062
• Residual factor for significantly intense reflections: 0.0464
• Weighted residual factors for significantly intense reflections: 0.1232
• Weighted residual factors for all reflections included in the refinement: 0.129
• Goodness-of-fit parameter for all reflections included in the refinement: 0.805
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No