Information card for entry 7707069

Structure parameters

• Formula: C28 H30 Br Cl2 Mn N6 O3
• Calculated formula: C56 H60 Br2 Cl4 Mn2 N12 O6
• Title of publication: Manganese complexes with chelating and bridging di-triazolylidene ligands: synthesis and reactivity.
• Authors of publication: Friães, Sofia; Realista, Sara; Gomes, Clara S. B.; Martinho, Paulo N.; Veiros, Luis F.; Albrecht, Martin; Royo, Beatriz
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2021
• Journal volume: 50
• Journal issue: 17
• Pages of publication: 5911 - 5920
• a: 23.155 ± 0.0019 Å
• b: 14.0329 ± 0.0012 Å
• c: 19.7444 ± 0.0018 Å
• α: 90°
• β: 103.759 ± 0.003°
• γ: 90°
• Cell volume: 6231.5 ± 0.9 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 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: 0.1614
• Residual factor for significantly intense reflections: 0.1127
• Weighted residual factors for significantly intense reflections: 0.1721
• Weighted residual factors for all reflections included in the refinement: 0.1845
• Goodness-of-fit parameter for all reflections included in the refinement: 1.185
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No