Information card for entry 4300700

Structure parameters

• Formula: C72 H104 F12 Hg7 I8 N12 O12 P2 S8
• Calculated formula: C72 H104 F12 Hg7 I8 N12 O12 P2 S8
• SMILES: c1(ccc(cc1)[N+](C)(C)C)S[Hg]Sc1ccc(cc1)[N+](C)(C)C.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].[I]1[Hg](I)(I)[I][Hg]1(I)I.I[Hg]I.N(=O)(=O)[O-].O=N(=O)[O-].S(c1ccc([N+](C)(C)C)cc1)[Hg]Sc1ccc([N+](C)(C)C)cc1.c1(ccc(cc1)[N+](C)(C)C)S[Hg]Sc1ccc(cc1)[N+](C)(C)C.[N+](c1ccc(S[Hg]Sc2ccc([N+](C)(C)C)cc2)cc1)(C)(C)C.N(=O)(=O)[O-].N(=O)(=O)[O-]
• Journal of publication: Inorganic Chemistry
• Year of publication: 2006
• a: 16.504 ± 0.003 Å
• b: 28.009 ± 0.005 Å
• c: 11.859 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5482.1 ± 1.7 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 9
• Space group number: 59
• Hermann-Mauguin space group symbol: P m m n :2
• Hall space group symbol: -P 2ab 2a
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No