Information card for entry 7041987

Structure parameters

• Formula: C46 H42 Br2 Cl2 Co2 N10 O12
• Calculated formula: C46 H42 Br2 Cl2 Co2 N10 O12
• Title of publication: Benzoquinone-bridged Co2 complexes with different magnetic anisotropy induced by solvent molecules.
• Authors of publication: Cao, Wenhai; Zhu, Xiaoquan; Liu, Pengfei; Su, Shaodong; Hu, Shengmin; Wen, Yuehong; Wu, Xintao; Sheng, Tianlu
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2017
• Journal volume: 46
• Journal issue: 11
• Pages of publication: 3435 - 3437
• a: 11.368 ± 0.005 Å
• b: 16.766 ± 0.007 Å
• c: 17.431 ± 0.006 Å
• α: 90°
• β: 129.213 ± 0.019°
• γ: 90°
• Cell volume: 2574.1 ± 1.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0442
• Residual factor for significantly intense reflections: 0.0355
• Weighted residual factors for significantly intense reflections: 0.0807
• Weighted residual factors for all reflections included in the refinement: 0.085
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No