Information card for entry 8100475

Structure parameters

• Formula: C16 H60 Mo4 N24 O36
• Calculated formula: C16 H52 Mo4 N24 O36
• SMILES: [Mo]123(=O)(OO1)(OO2)OC(=O)[C@@H](O3)[C@H]1C(=O)O[Mo]23(O1)(=O)(OO2)OO3.C(=[NH2+])(N)N.C(=[NH2+])(N)N.C(=[NH2+])(N)N.C(=[NH2+])(N)N.O.O.[Mo]123(=O)(OO1)(OO2)OC(=O)[C@H](O3)[C@@H]1C(=O)O[Mo]23(O1)(=O)(OO2)OO3.C(=[NH2+])(N)N.C(=[NH2+])(N)N.C(=[NH2+])(N)N.C(=[NH2+])(N)N.O.O
• Title of publication: Crystal structure of tetraguanidinium dioxo-tetraperoxo-m-tartratodimolybdate (VI) dihydrate, (CN~3~H~6~)~4~[Mo~2~O~2~(O~2~)~4~(C~4~H~2~O~6~)] · 2H~2~O
• Authors of publication: Tinant, Bernard; Bayot, Daisy; Devillers, Michel
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2003
• Journal volume: 218
• Journal issue: 4
• Pages of publication: 572 - 574
• a: 29.387 ± 0.009 Å
• b: 9.979 ± 0.003 Å
• c: 19.062 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5590 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No