Information card for entry 4100656

Structure parameters

• Formula: C22 H51 Cl3 Cu Fe3 N P S3
• Calculated formula: C44 H102 Cl6 Cu2 Fe6 N2 P2 S6
• SMILES: [Cu]123([Fe]456([Fe]789([Fe]%10%11([Fe]%12%13%14([Fe]%15%16([Fe]%17%18([Cu]([S]%13%16%17)([S]8%11%14)([S]69%18)[P](CC)(CC)CC)(Cl)[S]25%15)(Cl)[S]3%10%12)Cl)(Cl)[S]147)Cl)Cl)[P](CC)(CC)CC.[N+](CCCC)(CCCC)(CCCC)CCCC.[N+](CCCC)(CCCC)(CCCC)CCCC
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2005
• a: 13.9364 ± 0.0018 Å
• b: 15.934 ± 0.002 Å
• c: 15.719 ± 0.002 Å
• α: 90°
• β: 96.004 ± 0.002°
• γ: 90°
• Cell volume: 3471.6 ± 0.8 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 8
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No