Information card for entry 4062933

Structure parameters

• Formula: C28 H34 Cu2 F4 Fe2 O4 P2 S4
• Calculated formula: C28 H34 Cu2 F4 Fe2 O4 P2 S4
• SMILES: [Cu]123[S]([S]4[Cu]([S]([c]56[Fe]789%10%11%12%13([c]%144[cH]7[cH]8[cH]9[cH]%10%14)[cH]5[cH]%11[cH]%12[cH]6%13)C(C)(C)C)(OP(=[O]2)(F)F)OP(=[O]3)(F)F)[c]23[Fe]456789%10([cH]2[cH]4[cH]5[cH]36)[c]2([S]1C(C)(C)C)[cH]7[cH]8[cH]9[cH]%102
• Journal of publication: Organometallics
• Year of publication: 2004
• a: 11.3709 ± 0.0012 Å
• b: 14.5159 ± 0.0012 Å
• c: 21.39 ± 0.002 Å
• α: 90°
• β: 94.806 ± 0.008°
• γ: 90°
• Cell volume: 3518.1 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: No
• Has Fobs: No