Information card for entry 7031620

Structure parameters

• Formula: C86 H82 Cl2 Co5 N16 O22
• Calculated formula: C86 H82 Cl2 Co5 N16 O22
• Title of publication: Positional isomeric tunable two Co(ii) 6-connected 3-D frameworks with pentanuclear to binuclear units: structures, ion-exchange and magnetic properties.
• Authors of publication: Han, Min-Le; Duan, Ya-Ping; Li, Dong-Sheng; Wang, Hai-Bin; Zhao, Jun; Wang, Yao-Yu
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 41
• Pages of publication: 15450 - 15456
• a: 11.949 ± 0.006 Å
• b: 12.429 ± 0.005 Å
• c: 16.064 ± 0.007 Å
• α: 93.02 ± 0.008°
• β: 94.659 ± 0.005°
• γ: 101.286 ± 0.006°
• Cell volume: 2326.1 ± 1.8 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0562
• Residual factor for significantly intense reflections: 0.0499
• Weighted residual factors for significantly intense reflections: 0.1403
• Weighted residual factors for all reflections included in the refinement: 0.148
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No