Information card for entry 4300447

Structure parameters

• Formula: C44 H94 Br3 Fe2 Na O5 S2 Si2
• Calculated formula: C44 H94 Br3 Fe2 Na O5 S2 Si2
• SMILES: [O]1(CCCC1)[Na]([O]1CCCC1)([O]1CCCC1)[O]1CCCC1.Br[Fe]1([S]([Fe]([O]2CCCC2)([S]1[Si](C(C)(C)C)(C(C)(C)C)C(C)(C)C)Br)[Si](C(C)(C)C)(C(C)(C)C)C(C)(C)C)Br
• Journal of publication: Inorganic Chemistry
• Year of publication: 2006
• a: 24.363 ± 0.002 Å
• b: 13.3296 ± 0.001 Å
• c: 17.8294 ± 0.0014 Å
• α: 90°
• β: 90 ± 0.002°
• γ: 90°
• Cell volume: 5790 ± 0.8 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No