Information card for entry 4346376

Structure parameters

• Formula: C42 H36 Co F12 N8 O2 P2
• Calculated formula: C42 H36 Co F12 N8 O2 P2
• SMILES: c1(c2ccncc2)cc2[n]3[Co]45([n]6c(c7[n]4cccc7)cc(c4ccncc4)cc6c4[n]5cccc4)([n]4ccccc24)[n]2ccccc2c3c1.[P](F)(F)(F)(F)(F)[F-].OC.[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: 19.8091 ± 0.001 Å
• b: 27.1281 ± 0.0008 Å
• c: 8.5796 ± 0.0003 Å
• α: 90°
• β: 111.74 ± 0.004°
• γ: 90°
• Cell volume: 4282.6 ± 0.3 ų
• Cell temperature: 250 ± 2 K
• Ambient diffraction temperature: 250 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0897
• Residual factor for significantly intense reflections: 0.0856
• Weighted residual factors for significantly intense reflections: 0.2528
• Weighted residual factors for all reflections included in the refinement: 0.258
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No