Information card for entry 2201640

Structure parameters

• Formula: C24 H98 N10 O50 W12
• Calculated formula: C24 H48 N10 O50 W12
• SMILES: C(CCCCC[NH3+])[NH3+].[NH3+]CCCCCC[NH3+].[NH3+]CCCCCC[NH3+].[NH4+].O1[W]234(O[W]567(O[W]81(=O)([OH]25)[O]1[W]2(O7)(O[W]579(O[W]%10%11%12(O[W](O5)(=O)([OH]7%10)(O[W]5(O8)([O]9[W]1(O2)(O5)(=O)=O)(=O)=O)O[W]1(O3)(O[W]2([O]4[W](O6)(O2)(=O)(=O)O%12)(=O)(=O)[O]%111)(=O)=O)=O)=O)(=O)=O)=O)=O.O.O.O.O.C(CCCCC[NH3+])[NH3+].[NH4+].O.O.O.O
• Title of publication: (NH~4~)~2~(NH~3~(CH~2~)~6~NH~3~)~4~[H~2~W~12~O~42~]·8H~2~O: a novel ammonium 1,6-hexanediammonium dodecatungstate
• Authors of publication: Gainsford, Graeme J.; Robinson, Natalie; Tallon, J. L.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 10
• Pages of publication: m521 - m523
• a: 10.987 ± 0.002 Å
• b: 10.98 ± 0.002 Å
• c: 14.681 ± 0.003 Å
• α: 85.99 ± 0.03°
• β: 84.85 ± 0.03°
• γ: 87.69 ± 0.03°
• Cell volume: 1758.6 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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 all reflections: 0.039
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for significantly intense reflections: 0.103
• Weighted residual factors for all reflections included in the refinement: 0.103
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation wavelength: 0.9204 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes