Information card for entry 7704418

Structure parameters

• Formula: C31 H31 Co F12 N7 P2
• Calculated formula: C31 H31 Co F12 N7 P2
• SMILES: [Co]123456[N](Cc7[n]1cccc7)(Cc1[n]2cccc1)Cc1[n]3c(ccc1)C[N]4(Cc1[n]5cccc1)Cc1[n]6cccc1.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Structure, magnetic anisotropy and relaxation behavior of seven-coordinate Co(ii) single-ion magnets perturbed by counter-anions.
• Authors of publication: Yi, Gangji; Zhang, Chunyang; Zhao, Wen; Cui, Huihui; Chen, Lei; Wang, Zhenxing; Chen, Xue-Tai; Yuan, Aihua; Liu, Yuan-Zhong; Ouyang, Zhong-Wen
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 22
• Pages of publication: 7620 - 7627
• a: 20.6301 ± 0.0011 Å
• b: 17.5943 ± 0.001 Å
• c: 19.326 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7014.8 ± 0.7 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.08
• Residual factor for significantly intense reflections: 0.0545
• Weighted residual factors for significantly intense reflections: 0.1411
• Weighted residual factors for all reflections included in the refinement: 0.1592
• Goodness-of-fit parameter for all reflections included in the refinement: 1.104
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No