Information card for entry 7045459

Structure parameters

• Formula: C39 H32 Br2 Co O P2
• Calculated formula: C39 H32 Br2 Co O P2
• Title of publication: A new series of tetrahedral Co(ii) complexes [CoLX₂] (X = NCS, Cl, Br, I) manifesting single-ion magnet features.
• Authors of publication: Mondal, Amit Kumar; Sundararajan, Mahesh; Konar, Sanjit
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 11
• Pages of publication: 3745 - 3754
• a: 16.884 ± 0.002 Å
• b: 10.6015 ± 0.0014 Å
• c: 40.409 ± 0.005 Å
• α: 90°
• β: 109.96 ± 0.005°
• γ: 90°
• Cell volume: 6798.6 ± 1.5 ų
• Cell temperature: 140 ± 2 K
• Ambient diffraction temperature: 140 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1947
• Residual factor for significantly intense reflections: 0.085
• Weighted residual factors for significantly intense reflections: 0.1083
• Weighted residual factors for all reflections included in the refinement: 0.1335
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No