Information card for entry 7017130

Structure parameters

• Formula: C91.4 H57.4 Cl7.2 Cu3 N9 O0.6 S6
• Calculated formula: C91.4 H57.4 Cl7.2 Cu3 N9 O0.6 S6
• Title of publication: Further insight into the coordination of 2,5-dicarbothioamidopyrroles: the case of Cu and Co complexes.
• Authors of publication: Karagiannidis, Louise E.; Gale, Philip A.; Light, Mark E.; Massi, Massimiliano; Ogden, Mark I.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 45
• Pages of publication: 12097 - 12105
• a: 13.4166 ± 0.0009 Å
• b: 15.8954 ± 0.001 Å
• c: 19.7847 ± 0.0013 Å
• α: 96.701 ± 0.004°
• β: 95.457 ± 0.004°
• γ: 95.884 ± 0.004°
• Cell volume: 4143.9 ± 0.5 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.248
• Residual factor for significantly intense reflections: 0.1559
• Weighted residual factors for significantly intense reflections: 0.2671
• Weighted residual factors for all reflections included in the refinement: 0.3124
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No