Information card for entry 7703772

Structure parameters

• Formula: C23 H29 Cl2 Co N3 O
• Calculated formula: C23 H29 Cl2 Co N3 O
• SMILES: [Co]12(Cl)(Cl)[n]3c(C[N]1(Cc1[n]2cccc1)Cc1c(cc(cc1C)C)C)cccc3.OC
• Title of publication: Influence of ligand field on magnetic anisotropy in a family of pentacoordinate Co^II complexes.
• Authors of publication: Acharya, Joydev; Sarkar, Arup; Kumar, Pawan; Kumar, Vierandra; Flores Gonzalez, Jessica; Cador, Olivier; Pointillart, Fabrice; Rajaraman, Gopalan; Chandrasekhar, Vadapalli
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 15
• Pages of publication: 4785 - 4796
• a: 16.4698 ± 0.0008 Å
• b: 8.1305 ± 0.0004 Å
• c: 17.6932 ± 0.0009 Å
• α: 90°
• β: 100.979 ± 0.002°
• γ: 90°
• Cell volume: 2325.9 ± 0.2 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.042
• Residual factor for significantly intense reflections: 0.0335
• Weighted residual factors for significantly intense reflections: 0.0782
• Weighted residual factors for all reflections included in the refinement: 0.083
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No