Information card for entry 2009732

Structure parameters

• Formula: C48 H114 Cl12 N4 Na2 O24 Ta6
• Calculated formula: C48 H114 Cl12 N4 Na2 O24 Ta6
• SMILES: [Na]1234567[N]89CC[O]2CC[O]3CC[N]1(CC[O]6CC[O]4CC8)CC[O]7CC[O]5CC9.[Ta]123(OC)[Cl][Ta]45([Cl][Ta]67([Cl][Ta]([Cl]4)([Cl]2)(OC)[Cl][Ta]([Cl]6)([Cl]3)(OC)[Cl][Ta]([Cl]1)([Cl]5)(OC)[Cl]7)OC)OC.CO.[O]12[Na]345678[O]9CC[O]5CC[N]8(CC[O]6CC[O]3CC[N]7(CC9)CC2)CC[O]4CC1.OC.OC.OC.CO.CO
• Title of publication: (C~18~H~36~N~2~O~6~Na)~2~[Ta~6~Cl~12~(CH~3~O)~6~].6CH~3~OH with partial substitution of CH~3~O^{-^} by OH^{-^}
• Authors of publication: Beck, U.; Borrmann, H.; Simon, A.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1994
• Journal volume: 50
• Journal issue: 5
• Pages of publication: 695 - 697
• a: 15.068 ± 0.002 Å
• b: 15.068 ± 0.002 Å
• c: 32.303 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 6351.6 ± 1.7 ų
• Cell temperature: 173 K
• Number of distinct elements: 7
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for significantly intense reflections: 0.0424
• Weighted residual factors for significantly intense reflections: 0.0427
• Goodness-of-fit parameter for significantly intense reflections: 1.2085
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No