Information card for entry 7007878

Structure parameters

• Formula: C72.61 H75.42 N18.2 Ni3 O11.2 S4
• Calculated formula: C72.606 H75.414 N18.202 Ni3 O11.202 S4
• Title of publication: Control of magnetic spin states by various mixed anionic ligands in trinickel complexes: synthesis, crystal structures and physical properties.
• Authors of publication: Huang, Ming-Yi; Yeh, Chen-Yu; Lee, Gene-Hsiang; Peng, Shie-Ming
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2006
• Journal issue: 48
• Pages of publication: 5683 - 5690
• a: 23.4817 ± 0.0003 Å
• b: 14.3337 ± 0.0002 Å
• c: 23.9519 ± 0.0003 Å
• α: 90°
• β: 105.064 ± 0.0006°
• γ: 90°
• Cell volume: 7784.68 ± 0.18 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0932
• Residual factor for significantly intense reflections: 0.0733
• Weighted residual factors for significantly intense reflections: 0.2147
• Weighted residual factors for all reflections included in the refinement: 0.2328
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No