Information card for entry 7054176

Structure parameters

• Chemical name: Catena-[tris(5-tertbutylpyrazole)sulfatocobalt(II)]
• Formula: C21 H36 Co N6 O4 S
• Calculated formula: C21 H36 Co N6 O4 S
• Title of publication: A comparison of different methods for fitting susceptibility data of cobalt(ii) coordination polymers in a new cobalt(ii)/sulfate 1-D chain
• Authors of publication: Jones, Leigh F.; Kilner, Colin A.; Halcrow, Malcolm A.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2007
• Journal volume: 31
• Journal issue: 8
• Pages of publication: 1530
• a: 10.747 ± 0.0002 Å
• b: 13.1706 ± 0.0002 Å
• c: 18.122 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2565.07 ± 0.08 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0363
• Residual factor for significantly intense reflections: 0.0314
• Weighted residual factors for significantly intense reflections: 0.0743
• Weighted residual factors for all reflections included in the refinement: 0.077
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No