Information card for entry 7038087

Structure parameters

• Formula: C18 H14 N3 O3 Re S
• Calculated formula: C18 H14 N3 O3 Re S
• Title of publication: Postcomplexation synthetic routes to dipyrrin complexes.
• Authors of publication: Perl, David; Bisset, Sean W.; Telfer, Shane G.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 6
• Pages of publication: 2440 - 2443
• a: 16.2808 ± 0.0003 Å
• b: 14.7769 ± 0.0003 Å
• c: 16.6692 ± 0.0012 Å
• α: 90°
• β: 110.575 ± 0.008°
• γ: 90°
• Cell volume: 3754.5 ± 0.3 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 6
• 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: 0.0343
• Residual factor for significantly intense reflections: 0.0299
• Weighted residual factors for significantly intense reflections: 0.0736
• Weighted residual factors for all reflections included in the refinement: 0.0793
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0271
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No