Information card for entry 7702063

Structure parameters

• Formula: C44 H54 Br4 Co4 N4 O17
• Calculated formula: C44 H54 Br4 Co4 N4 O17
• Title of publication: Synthesis, magnetism and spectral studies of six defective dicubane tetranuclear {M4O6} (M = Ni(II), Co(II), Zn(II)) and three trinuclear Cd(II) complexes with polydentate Schiff base ligands.
• Authors of publication: Jiang, Lin; Zhang, Dong-Yan; Suo, Jing-Jing; Gu, Wen; Tian, Jin-Lei; Liu, Xin; Yan, Shi-Ping
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 25
• Pages of publication: 10233 - 10248
• a: 17.1056 ± 0.0004 Å
• b: 11.7616 ± 0.0002 Å
• c: 27.3199 ± 0.0008 Å
• α: 90°
• β: 104.388 ± 0.002°
• γ: 90°
• Cell volume: 5324.1 ± 0.2 ų
• Cell temperature: 125.4 ± 0.14 K
• Ambient diffraction temperature: 125.4 ± 0.14 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/c 1
• Hall space group symbol: -I 2yc
• Residual factor for all reflections: 0.0396
• Residual factor for significantly intense reflections: 0.0318
• Weighted residual factors for significantly intense reflections: 0.0736
• Weighted residual factors for all reflections included in the refinement: 0.077
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0662
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No