Information card for entry 7026745

Structure parameters

• Formula: C60 H77 Cl N8 Ni6 O23.5
• Calculated formula: C60 H77 Cl N8 Ni6 O23.5
• Title of publication: One pot-synthesis of chiral Ni6 clusters involving Ni3 subunits: a combined structural, magnetic and DFT study.
• Authors of publication: Fondo, Matilde; Ocampo, Noelia; García-Deibe, Ana M; Cano, Joan; Sanmartín, Jesús
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 45
• Pages of publication: 10888 - 10899
• a: 18.863 ± 0.004 Å
• b: 17.737 ± 0.004 Å
• c: 22.319 ± 0.005 Å
• α: 90°
• β: 93.681 ± 0.003°
• γ: 90°
• Cell volume: 7452 ± 3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0388
• Residual factor for significantly intense reflections: 0.0343
• Weighted residual factors for significantly intense reflections: 0.1007
• Weighted residual factors for all reflections included in the refinement: 0.1038
• Goodness-of-fit parameter for all reflections included in the refinement: 1.097
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No