Information card for entry 7704417

Structure parameters

• Formula: C31 H33 Cl2 Co N7 O9
• Calculated formula: C31 H31 Cl2 Co N7 O9
• 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: 18.1032 ± 0.0015 Å
• b: 13.331 ± 0.0011 Å
• c: 29.071 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7015.8 ± 1 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• 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: 0.1475
• Residual factor for significantly intense reflections: 0.0653
• Weighted residual factors for significantly intense reflections: 0.127
• Weighted residual factors for all reflections included in the refinement: 0.1534
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No