Information card for entry 7713974

Structure parameters

• Formula: C35 H43 Co N5 Se2
• Calculated formula: C35 H43 Co N5 Se2
• SMILES: [Co]12([n]3c(C(=[N]2c2c(C(C)C)cccc2C(C)C)C)cccc3C(=[N]1c1c(C(C)C)cccc1C(C)C)C)(N=C=[Se])N=C=[Se]
• Title of publication: Field Induced Single Ion Magnet Behavior in CoII Complexes in Distorted Square Pyramidal Geometry
• Authors of publication: Dey, Atanu; Ali, Junaid; MOORTHY, SHRUTI; Flores-Gonzalez, Jessica; Pointillart, Fabrice; Singh, Saurabh Kumar; Chandrasekhar, Vadapalli
• Journal of publication: Dalton Transactions
• Year of publication: 2023
• a: 42.1187 ± 0.0017 Å
• b: 9.1323 ± 0.0004 Å
• c: 20.1316 ± 0.0009 Å
• α: 90°
• β: 103.171 ± 0.004°
• γ: 90°
• Cell volume: 7539.7 ± 0.6 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 5
• 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: 0.0884
• Residual factor for significantly intense reflections: 0.0455
• Weighted residual factors for significantly intense reflections: 0.1236
• Weighted residual factors for all reflections included in the refinement: 0.1421
• Goodness-of-fit parameter for all reflections included in the refinement: 0.96
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No