Information card for entry 7707049

Structure parameters

• Formula: C72 H62 Cl Mn N2 O1.5
• Calculated formula: C72 H62 Cl Mn N2 O1.5
• Title of publication: Luminescence from open-shell, first-row transition metal dipyrrin complexes.
• Authors of publication: Scharf, Austin B.; Zheng, Shao-Liang; Betley, Theodore A.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2021
• Journal volume: 50
• Journal issue: 19
• Pages of publication: 6418 - 6422
• a: 36.107 ± 0.005 Å
• b: 18.725 ± 0.003 Å
• c: 20.875 ± 0.003 Å
• α: 90°
• β: 121.819 ± 0.002°
• γ: 90°
• Cell volume: 11993 ± 3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0851
• Residual factor for significantly intense reflections: 0.0485
• Weighted residual factors for significantly intense reflections: 0.1213
• Weighted residual factors for all reflections included in the refinement: 0.1413
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No