Information card for entry 4346378

Structure parameters

• Formula: C43 H36 Cl4 Co F12 N8 O P2
• Calculated formula: C43 H36 Cl4 Co F12 N8 O P2
• SMILES: [Co]1234([n]5ccccc5c5[n]1c(cc(c5)c1ccncc1)c1[n]2cccc1)[n]1ccccc1c1[n]3c(cc(c1)c1ccncc1)c1[n]4cccc1.C(Cl)Cl.C(Cl)Cl.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].OC
• Title of publication: Spin Transition and Structural Transformation in a Mononuclear Cobalt(II) Complex.
• Authors of publication: Guo, Ying; Yang, Xiu-Long; Wei, Rong-Jia; Zheng, Lan-Sun; Tao, Jun
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 16
• Pages of publication: 7670 - 7672
• a: 21.436 ± 0.004 Å
• b: 17.631 ± 0.004 Å
• c: 25.446 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 9617 ± 3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0614
• Residual factor for significantly intense reflections: 0.0496
• Weighted residual factors for significantly intense reflections: 0.1384
• Weighted residual factors for all reflections included in the refinement: 0.1463
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No