Information card for entry 7111990

Structure parameters

• Formula: H150 N6 Na18 O204 Se6 W39
• Calculated formula: N5.5 Na15.9 O203.5 Se6 W39
• SMILES: [NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].O1[W]234(O[W]567(O[W]89%10(O[W]%11%12(O[W]%13%14(O[W]%15%16(=O)(O[W]%17%18(O%13)(O[W]%13(O[W](O[W]%19(O2)(O[W]2%201([O]1=[Se]([O]7[W](O5)(O%11)(O[W]1(O6)(O[W]1(=O)(O2)(O[W]256(=O)O[W]7%11%21(O[W]%22%23%24(O[W]%25%26%27(O[W]%28%29(O[W]%30%31(O[W]%32%33(O[W]%34%35(O[W](O%30)(O%29)(=O)([O]%31[Se](=[O]%26%28)[O]%24[W](O%23)(O[W](O7)([O]%11=[Se]([O]2[W](O%32)(O1)(O%35)(O5)=O)[O]%33%34)(O6)(=O)=O)(O%27)(=O)=O)=O)(=O)=O)(O%21)=O)(O%22)=O)(O[W]1(O%25)(O[W]256(O[W]7%11%21(O[W]%22%23%24(O[W]%25%26(O%16)(=O)O[W]%16%27(O[W]%28%29(O%23)(=O)O[W]%23(=O)(O[W]%30%31(O[W]%32(O%29)(O7)(O[W](O%30)(O5)(O1)([O]6=[Se]([O]%21[W](O%11)(O[W](O%22)(O%25)([O]%24[Se](=[O]%26%27)[O]%28%23)(=O)=O)(O2)(=O)=O)[O]%31%32)=O)=O)(=O)=O)(O%16)=O)(O%15)=O)=O)=O)=O)(=O)=O)=O)=O)=O)=O)=O)(O%20)=O)(=O)=O)[O]4%19)=O)(=O)=O)(O%17)(=O)([O]%13=[Se]([O]%10%12)[O]%14%18)=O)(O9)(O3)=O)=O)=O)(O8)=O)(=O)=O)=O)=O)=O.[Na+].O.O.O.O.[Na+].O.[Na+].O.O.O.O.O.[Na+].O.O.[Na+].[Na+].O.[Na+].[Na+].O.O.[Na+].[Na+].[Na+].O.O.O.[Na+].[Na+].[Na+].[Na+].O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.[Na+].O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O
• Title of publication: Formation, self-assembly and transformation of a transient selenotungstate building block into clusters, chains and macrocycles
• Authors of publication: Jamie M. Cameron; Jing Gao; Laia Vila-Nadal; De-Liang Long; Leroy Cronin
• Journal of publication: Chem.Commun.
• Year of publication: 2014
• Journal volume: 50
• Pages of publication: 2155
• a: 22.8802 ± 0.0004 Å
• b: 38.761 ± 0.0008 Å
• c: 24.4831 ± 0.0004 Å
• α: 90°
• β: 96.61 ± 0.002°
• γ: 90°
• Cell volume: 21568.7 ± 0.7 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0842
• Residual factor for significantly intense reflections: 0.0505
• Weighted residual factors for significantly intense reflections: 0.1021
• Weighted residual factors for all reflections included in the refinement: 0.1186
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No