Information card for entry 7703774

Structure parameters

• Formula: C22 H25 Cl2 N3 Zn
• Calculated formula: C22 H25 Cl2 N3 Zn
• SMILES: [Zn]12(Cl)(Cl)[n]3c(cccc3)C[N]2(Cc2c(cc(cc2C)C)C)Cc2[n]1cccc2
• 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: 8.3183 ± 0.0014 Å
• b: 10.3241 ± 0.0018 Å
• c: 13.067 ± 0.002 Å
• α: 98.325 ± 0.005°
• β: 92.15 ± 0.005°
• γ: 110.353 ± 0.005°
• Cell volume: 1036.4 ± 0.3 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0789
• Residual factor for significantly intense reflections: 0.0664
• Weighted residual factors for significantly intense reflections: 0.1808
• Weighted residual factors for all reflections included in the refinement: 0.1948
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No