Information card for entry 7713975

Structure parameters

• Formula: C33 H45 Cl2 Co N3 O
• Calculated formula: C33 H45 Cl2 Co N3 O
• SMILES: [Co]12(Cl)(Cl)[n]3c(C(=[N]1c1c(cccc1C(C)C)C(C)C)C)cccc3C(=[N]2c1c(C(C)C)cccc1C(C)C)C.O
• 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: 8.7366 ± 0.0003 Å
• b: 9.9079 ± 0.0003 Å
• c: 20.9732 ± 0.0005 Å
• α: 84.262 ± 0.002°
• β: 88.202 ± 0.002°
• γ: 65.478 ± 0.003°
• Cell volume: 1643.34 ± 0.09 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0498
• Residual factor for significantly intense reflections: 0.0396
• Weighted residual factors for significantly intense reflections: 0.1033
• Weighted residual factors for all reflections included in the refinement: 0.1087
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No