Information card for entry 8100872

Structure parameters

• Formula: C16 H54 Mo7 N4 Na2 O31
• Calculated formula: C16 H54 Mo7 N4 Na2 O31
• SMILES: [Mo]12345[O]67[Mo]8(O4)(O[Mo]46([O]2[Mo]2([O]61[Mo](O5)(O2)(O[Mo]16([O]3[Mo]7(O8)(O1)(=O)=O)(=O)=O)(=O)=O)(O4)(=O)=O)(=O)=O)(=O)=O.[Na+].[Na+].OCC[NH+](C)C.OCC[NH+](C)C.OCC[NH+](C)C.OCC[NH+](C)C.O.O.O
• Title of publication: Crystal structure of catena-poly[(dimethyl(2-hydroxyethyl)ammonium)- {sodium-μ-[aquatris(dimethyl(2-hydroxyethyl)ammonium)-sodiumheptamolybdato (VI)-O',O'',O''':O'''',O''''',O'''''']}diwater], {(C~4~H~12~NO)[(C~4~H~12~NO) ~3~(H~2~O)Na~2~Mo~7~O~24~] · 2H~2~O}~n~
• Authors of publication: Klinga, Martti; Turpeinen, Urho; Hämäläinen, Reijo
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2001
• Journal volume: 216
• Journal issue: 1
• Pages of publication: 132 - 134
• a: 14.857 ± 0.003 Å
• b: 16.266 ± 0.003 Å
• c: 17.769 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4294.1 ± 1.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No