Information card for entry 7719628

Structure parameters

• Formula: C44 H47 Cl6 Co2 Er N6 O9
• Calculated formula: C44 H47 Cl6 Co2 Er N6 O9
• Title of publication: Exploring the magnetic anisotropy and slow relaxation in heterometallic Co^II-Ln^III-Co^II complexes: from synthesis to <i>ab initio</i> insights.
• Authors of publication: Samanta, Sukhendu Bikash; Roy, Soumalya; Konieczny, Piotr; Pełka, Robert; Baran, Stanisław; Himchan, Mo; Dey, Atanu; Lee, Junseong; Das, Sourav
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2025
• Journal volume: 54
• Journal issue: 44
• Pages of publication: 16492 - 16507
• a: 12.8167 ± 0.0004 Å
• b: 14.6711 ± 0.0005 Å
• c: 16.2516 ± 0.0006 Å
• α: 92.1552 ± 0.0018°
• β: 105.467 ± 0.0015°
• γ: 109.852 ± 0.0016°
• Cell volume: 2742.35 ± 0.17 ų
• Cell temperature: 296.15 K
• Ambient diffraction temperature: 296.15 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: 0.0323
• Residual factor for significantly intense reflections: 0.0278
• Weighted residual factors for significantly intense reflections: 0.0696
• Weighted residual factors for all reflections included in the refinement: 0.072
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No