Information card for entry 7107189

Structure parameters

• Formula: C5 H8 Co N O5.5 S
• Calculated formula: C5 H7 Co N O5.5 S
• Title of publication: Temperature-directed structural recurrence in low-symmetric Co(II) complexes and nanocrystals
• Authors of publication: Yan-Yan Yin; Xiao-Yan Chen; Xiao-Chang Cao; Wei Shi; Peng Cheng
• Journal of publication: Chem.Commun.
• Year of publication: 2012
• Journal volume: 48
• Pages of publication: 705
• a: 12.264 ± 0.0017 Å
• b: 12.264 ± 0.0017 Å
• c: 5.2535 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 790.2 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 76
• Hermann-Mauguin space group symbol: P 41
• Hall space group symbol: P 4w
• Residual factor for all reflections: 0.0811
• Residual factor for significantly intense reflections: 0.0618
• Weighted residual factors for significantly intense reflections: 0.0853
• Weighted residual factors for all reflections included in the refinement: 0.0896
• Goodness-of-fit parameter for all reflections included in the refinement: 1.102
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No