Information card for entry 2018289

Structure parameters

• Chemical name: poly[dicaesium(I) hexaaquacobalt(II) [octaaqua-tetra-μ-citrato-hexacobalt(II)] dodecahydrate]
• Formula: C24 H68 Co7 Cs2 O54
• Calculated formula: C24 H56 Co7 Cs2 O54
• Title of publication: A square two-dimensional polymer of cobalt citrate cubanes
• Authors of publication: Falvello, Larry R.; Forcén-Vázquez, Elena; Mayoral, Isabel; Tomás, Milagros; Palacio, Fernando
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 11
• Pages of publication: m359 - m363
• a: 12.5738 ± 0.0001 Å
• b: 12.5738 ± 0.0001 Å
• c: 19.5895 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3097.11 ± 0.06 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 K
• Number of distinct elements: 5
• Space group number: 114
• Hermann-Mauguin space group symbol: P -4 21 c
• Hall space group symbol: P -4 2n
• Residual factor for all reflections: 0.0454
• Residual factor for significantly intense reflections: 0.0372
• Weighted residual factors for significantly intense reflections: 0.0918
• Weighted residual factors for all reflections included in the refinement: 0.0935
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes