Information card for entry 8102329

Structure parameters

• Formula: C20 H28 Co2 O8 S
• Calculated formula: C20 H28 Co2 O8 S
• Title of publication: Crystal structure of bis(cobaltocenium) sulfate tetrahydrate, [(C5H5)2Co]2(SO4) · 4H2O
• Authors of publication: Alexander Schwärzler; Klaus Wurst; Gerhard Laus; Günther Bonn; Herwig Schottenberger
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2008
• Journal volume: 223
• Journal issue: 4
• Pages of publication: 421
• a: 13.7544 ± 0.0003 Å
• b: 15.1793 ± 0.0004 Å
• c: 21.6466 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4519.42 ± 0.18 ų
• Cell temperature: 233 ± 2 K
• Ambient diffraction temperature: 233 ± 2 K
• Number of distinct elements: 5
• 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: 0.0461
• Residual factor for significantly intense reflections: 0.0364
• Weighted residual factors for significantly intense reflections: 0.0775
• Weighted residual factors for all reflections included in the refinement: 0.0808
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No