Information card for entry 7704416

Structure parameters

• Formula: C79 H71 B2 Co N7
• Calculated formula: C79 H71 B2 Co N7
• SMILES: [Co]123456[N](Cc7[n]3cccc7)(Cc3[n]2cccc3)Cc2[n]1c(ccc2)C[N]5(Cc1[n]4cccc1)Cc1[n]6cccc1.[B-](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.[B-](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1
• 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: 13.1936 ± 0.0004 Å
• b: 13.4238 ± 0.0005 Å
• c: 18.4168 ± 0.0006 Å
• α: 95.402 ± 0.002°
• β: 94.625 ± 0.002°
• γ: 98.023 ± 0.002°
• Cell volume: 3200.92 ± 0.19 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 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: 0.1032
• Residual factor for significantly intense reflections: 0.0454
• Weighted residual factors for significantly intense reflections: 0.1082
• Weighted residual factors for all reflections included in the refinement: 0.1446
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No