Information card for entry 7026459

Structure parameters

• Formula: C4 H8 Co F6 N4 Ni2 O8 S2
• Calculated formula: C4 H8 Co F6 N4 Ni2 O8 S2
• Title of publication: Organically-templated Kagomé compounds containing two transition metal ions.
• Authors of publication: Nagaraja, C. M.; Behera, J. N.; Maji, Tapas K.; Pati, Swapan K.; Rao, C. N. R.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 30
• Pages of publication: 6947 - 6949
• a: 12.7062 ± 0.0013 Å
• b: 7.3347 ± 0.0007 Å
• c: 9.5851 ± 0.001 Å
• α: 90°
• β: 116.427 ± 0.007°
• γ: 90°
• Cell volume: 799.95 ± 0.15 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.0535
• Residual factor for significantly intense reflections: 0.0495
• Weighted residual factors for significantly intense reflections: 0.1014
• Weighted residual factors for all reflections included in the refinement: 0.1031
• Goodness-of-fit parameter for all reflections included in the refinement: 1.211
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No