Information card for entry 7716089

Structure parameters

• Formula: C81 H93 B2 Co2 F3 N14 O4 S
• Calculated formula: C81 H93 B2 Co2 F3 N14 O4 S
• Title of publication: Increasing the electron donation in a dinucleating ligand family: molecular and electronic structures in a series of Co^IICo^II complexes.
• Authors of publication: Depenbrock, Felix; Limpke, Thomas; Stammler, Anja; Oldengott, Jan; Bögge, Hartmut; Glaser, Thorsten
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2024
• Journal volume: 53
• Journal issue: 22
• Pages of publication: 9554 - 9567
• a: 13.3763 ± 0.0005 Å
• b: 15.5871 ± 0.0007 Å
• c: 19.1171 ± 0.0008 Å
• α: 90.478 ± 0.001°
• β: 94.238 ± 0.001°
• γ: 105.796 ± 0.001°
• Cell volume: 3823.2 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0479
• Residual factor for significantly intense reflections: 0.0356
• Weighted residual factors for significantly intense reflections: 0.0894
• Weighted residual factors for all reflections included in the refinement: 0.097
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No