Information card for entry 7021269

Structure parameters

• Formula: C33 H29 Cl3 N2 O4 S2
• Calculated formula: C33 H29 Cl3 N2 O4 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: 9.992 ± 0.002 Å
• b: 11.907 ± 0.003 Å
• c: 14.865 ± 0.003 Å
• α: 74.563 ± 0.004°
• β: 75.616 ± 0.004°
• γ: 67.825 ± 0.004°
• Cell volume: 1556.8 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0739
• Residual factor for significantly intense reflections: 0.046
• Weighted residual factors for significantly intense reflections: 0.1025
• Weighted residual factors for all reflections included in the refinement: 0.1126
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No