Information card for entry 2227420

Structure parameters

• Chemical name: <i>catena</i>-Poly[hexaaqua-1κ<i>O</i>,2κ<i>O</i>,3κ^4^<i>O</i>-(μ~4~- 3,5-dicarboxylatopyrazol-1-ido-3':1:2:3κ^6^<i>O</i>^5^:<i>N</i>^1^, <i>O</i>^5'^:<i>N</i>^2^,<i>O</i>^3^:<i>O</i>^3'^)(μ~2~-3,5- dicarboxylatopyrazol-1-ido-1:2κ^4^<i>N</i>^2^,<i>O</i>^3^:<i>N</i>^1^, <i>O</i>^5^)-1,2-dicopper(II)-3-manganese(II)]
• Formula: C10 H14 Cu2 Mn N4 O14
• Calculated formula: C10 H14 Cu2 Mn N4 O14
• Title of publication: <i>catena</i>-Poly[hexaaqua-1κ<i>O</i>,2κ<i>O</i>,3κ^4^<i>O</i>-(μ~4~-3,5-dicarboxylatopyrazol-1-ido-3':1:2:3κ^6^<i>O</i>^5^:<i>N</i>^1^,<i>O</i>^5'^:<i>N</i>^2^,<i>O</i>^3^:<i>O</i>^3'^)(μ~2~-3,5-dicarboxylatopyrazol-1-ido-1:2κ^4^<i>N</i>^2^,<i>O</i>^3^:<i>N</i>^1^,<i>O</i>^5^)-1,2-dicopper(II)-3-manganese(II)]
• Authors of publication: Zhou, Xin-Hui
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 10
• Pages of publication: m1309
• a: 21.778 ± 0.003 Å
• b: 13.0387 ± 0.0019 Å
• c: 12.38 ± 0.0018 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3515.4 ± 0.9 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 6
• Space group number: 64
• Hermann-Mauguin space group symbol: C m c a
• Hall space group symbol: -C 2ac 2
• Residual factor for all reflections: 0.0651
• Residual factor for significantly intense reflections: 0.0567
• Weighted residual factors for significantly intense reflections: 0.1217
• Weighted residual factors for all reflections included in the refinement: 0.1257
• Goodness-of-fit parameter for all reflections included in the refinement: 1.259
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes