Information card for entry 7022789

Structure parameters

• Formula: C72 H74 Cu2 N20 O15
• Calculated formula: C72 H76 Cu2 N20 O15
• Title of publication: Cobalt(II), copper(II), zinc(II) and cadmium(II) complexes based on dibenzimidazolyl bidentate ligands with alkanyl linkers: crystal structure, weak interactions and conformations.
• Authors of publication: Liu, Qing-Xiang; Wei, Qing; Zhao, Xiao-Jun; Wang, Hong; Li, Shu-Juan; Wang, Xiu-Guang
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 16
• Pages of publication: 5902 - 5915
• a: 14.09 ± 0.0019 Å
• b: 16.386 ± 0.002 Å
• c: 16.393 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3784.8 ± 0.8 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0587
• Residual factor for significantly intense reflections: 0.0533
• Weighted residual factors for significantly intense reflections: 0.1451
• Weighted residual factors for all reflections included in the refinement: 0.1507
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No