Information card for entry 2014321

Structure parameters

• Chemical name: catena-Poly[disodium [[diformatotricopper(II)]-di-μ~3~-formato-tetra-μ~2~-formato]]
• Formula: C8 H8 Cu3 Na2 O16
• Calculated formula: C8 H8 Cu3 Na2 O16
• SMILES: [Cu]12345[Cu](OC=[O]3)([O]=CO5)(OC=[O]4)[O]=C[O]2[Cu]2(OC=O)(OC=O)([O]=CO1)[O]1[Cu]345([Cu]6([O]=C1)(OC=[O]4)([O]=CO5)[O](C=[O]3)[Cu](OC=O)(OC=O)(OC=O)[O]=CO6)OC=[O]2.[Na+].[Na+].[Na+].[Na+]
• Title of publication: <i>catena</i>-Poly[disodium [[diformatotricopper(II)]-di-μ~3~-formato-tetra-μ~2~-formato]]: a new mode of bridging between binuclear and mononuclear formate‒copper(II) units
• Authors of publication: Amalija Golobič; Martina Malekovič; Primož Šegedin
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 3
• Pages of publication: m102 - m104
• a: 7.6594 ± 0.0002 Å
• b: 7.7717 ± 0.0001 Å
• c: 8.7972 ± 0.0002 Å
• α: 113.248 ± 0.001°
• β: 108.653 ± 0.001°
• γ: 97.495 ± 0.001°
• Cell volume: 435.608 ± 0.017 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.052
• Weighted residual factors for all reflections included in the refinement: 0.152
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No