Information card for entry 7006753

Structure parameters

• Formula: C40 H69 Cl2 Cr N6 O10 S2
• Calculated formula: C40 H69 Cl2 Cr N6 O10 S2
• Title of publication: Preparation and characterization of Cr(III), Mn(II), Fe(II), Co(II) and Ni(II) complexes of a hexaazadithiophenolate macrocycle.
• Authors of publication: Journaux, Yves; Glaser, Thorsten; Steinfeld, Gunther; Lozan, Vasile; Kersting, Berthold
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2006
• Journal issue: 14
• Pages of publication: 1738 - 1748
• a: 14.49 ± 0.003 Å
• b: 24.163 ± 0.005 Å
• c: 13.777 ± 0.003 Å
• α: 90°
• β: 96.84 ± 0.03°
• γ: 90°
• Cell volume: 4789.3 ± 1.8 ų
• Cell temperature: 210 ± 2 K
• Ambient diffraction temperature: 210 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.2049
• Residual factor for significantly intense reflections: 0.0665
• Weighted residual factors for significantly intense reflections: 0.1607
• Weighted residual factors for all reflections included in the refinement: 0.2192
• Goodness-of-fit parameter for all reflections included in the refinement: 0.782
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No