Information card for entry 7021268

Structure parameters

• Formula: C64 H98 N4 Ni O5 S2
• Calculated formula: C64 H91.75 N4 Ni O5 S2
• Title of publication: Tetraanionic N2O2-coordinating ligands as potential building blocks for supramolecular magnetic networks.
• Authors of publication: Milek, Magdalena; Witt, Alexander; Streb, Carsten; Heinemann, Frank W; Khusniyarov, Marat M
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 15
• Pages of publication: 5237 - 5241
• a: 21.123 ± 0.004 Å
• b: 13.088 ± 0.003 Å
• c: 22.6 ± 0.005 Å
• α: 90°
• β: 98.4 ± 0.03°
• γ: 90°
• Cell volume: 6181 ± 2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0895
• Residual factor for significantly intense reflections: 0.0684
• Weighted residual factors for significantly intense reflections: 0.1895
• Weighted residual factors for all reflections included in the refinement: 0.2088
• Goodness-of-fit parameter for all reflections included in the refinement: 1.117
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No