Information card for entry 7703776

Structure parameters

• Formula: C22 H25 Br2 Co N3
• Calculated formula: C22 H25 Br2 Co N3
• 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: 8.4526 ± 0.0006 Å
• b: 10.2684 ± 0.0008 Å
• c: 13.3275 ± 0.0011 Å
• α: 99.01 ± 0.002°
• β: 90.814 ± 0.002°
• γ: 110.221 ± 0.002°
• Cell volume: 1069.15 ± 0.14 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: 0.0441
• Residual factor for significantly intense reflections: 0.0291
• Weighted residual factors for significantly intense reflections: 0.0806
• Weighted residual factors for all reflections included in the refinement: 0.1039
• Goodness-of-fit parameter for all reflections included in the refinement: 1.189
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No