Information card for entry 7715820

Structure parameters

• Formula: C37 H38 Cl2 Co N11 O P S
• Calculated formula: C37 H38 Cl2 Co N11 O P S
• SMILES: [Co]123(Cl)(Cl)[n]4ccc5c(cccc5)c4C=[N]1N(P(=S)(N(/N=C/c1c4c(ccn1)cccc4)C)N([N]3=Cc1[n]2ccc2c1cccc2)C)C.N#CC.C(#N)C.O
• Title of publication: Control of the geometry and anisotropy driven by the combination of steric and anion coordination effects in Co^II complexes with N₆-tripodal ligands: the impact of the size of the ligand on the magnetization relaxation time.
• Authors of publication: Landart, Aritz; Quesada-Moreno, María Mar; Palacios, María A; Li, Yanling; Ozerov, Mykhaylo; Krzystek, J.; Colacio, Enrique
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2024
• Journal volume: 53
• Journal issue: 31
• Pages of publication: 12876 - 12892
• a: 27.738 ± 0.003 Å
• b: 13.8757 ± 0.0012 Å
• c: 21.707 ± 0.002 Å
• α: 90°
• β: 110.717 ± 0.003°
• γ: 90°
• Cell volume: 7814.5 ± 1.3 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 8
• 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: 0.057
• Residual factor for significantly intense reflections: 0.0496
• Weighted residual factors for significantly intense reflections: 0.1164
• Weighted residual factors for all reflections included in the refinement: 0.1195
• Goodness-of-fit parameter for all reflections included in the refinement: 1.202
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No