Information card for entry 7704096

Structure parameters

• Formula: C36 H44 Br2 Co N2 O3
• Calculated formula: C36 H44 Br2 Co N2 O3
• SMILES: Brc1ccc2c(c1)C=[N](C13CC4CC(CC(C1)C4)C3)[Co]1([N](=Cc3c(ccc(Br)c3)O1)C13CC4CC(CC(C1)C4)C3)O2.C(C)O
• Title of publication: Bulky Schiff-base ligand supported Co(ii) single-ion magnets with zero-field slow magnetic relaxation.
• Authors of publication: Peng, Guo; Chen, Yue; Li, Bo; Zhang, Yi-Quan; Ren, Xiao-Ming
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 18
• Pages of publication: 5798 - 5802
• a: 9.9489 ± 0.0007 Å
• b: 25.4584 ± 0.0017 Å
• c: 13.7446 ± 0.001 Å
• α: 90°
• β: 107.112 ± 0.002°
• γ: 90°
• Cell volume: 3327.2 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 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: 0.0906
• Residual factor for significantly intense reflections: 0.0489
• Weighted residual factors for significantly intense reflections: 0.0925
• Weighted residual factors for all reflections included in the refinement: 0.1056
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No