Information card for entry 4101122

Structure parameters

• Formula: C8 H18 Fe2 N4 O4 S2
• Calculated formula: C8 H18 Fe2 N4 O4 S2
• SMILES: C(C)([S]1[Fe]2(N=O)(N=O)[S](C(C)(C)C)[Fe]12(N=O)N=O)(C)C
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2006
• a: 11.8365 ± 0.001 Å
• b: 12.5824 ± 0.0011 Å
• c: 5.7587 ± 0.0005 Å
• α: 90°
• β: 110.07 ± 0.001°
• γ: 90°
• Cell volume: 805.57 ± 0.12 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No