Information card for entry 2204676

Structure parameters

• Chemical name: Poly[sodium(I)-μ~3~-bis(ethylenedioxy)borato]
• Formula: C4 H8 B Na O4
• Calculated formula: C4 H8 B Na O4
• SMILES: C1CO[B]2(O1)OCCO2.[Na+]
• Title of publication: Poly[sodium(I)-μ~3~-bis(ethylenedioxy)borato]
• Authors of publication: Gainsford, Graeme J.; Kemmitt, Tim
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 12
• Pages of publication: m1943 - m1944
• a: 7.99 ± 0.007 Å
• b: 14.675 ± 0.013 Å
• c: 5.707 ± 0.005 Å
• α: 90°
• β: 104.271 ± 0.013°
• γ: 90°
• Cell volume: 648.5 ± 1 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0698
• Residual factor for significantly intense reflections: 0.0491
• Weighted residual factors for significantly intense reflections: 0.1312
• Weighted residual factors for all reflections included in the refinement: 0.1405
• 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: Yes