Information card for entry 4100654

Structure parameters

• Formula: C34 H82 Cl6 Fe6 N2 Ni2 P2 S6
• Calculated formula: C34 H82 Cl6 Fe6 N2 Ni2 P2 S6
• SMILES: CCC[P](CCC)(CCC)[Ni]12345S67[Fe]89%103(S3%11[Fe]%12%1369(S69[Fe]%14%15%16%17(S%18%19[Fe]%204%15(S1%14[Fe]57%126%16Cl)(S28[Fe]%103%18%20(Cl)[Ni]%11%139%17%19[P](CCC)(CCC)CCC)Cl)Cl)Cl)Cl.[N+](CC)(CC)(CC)CC.[N+](CC)(CC)(CC)CC
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2005
• a: 12.42 ± 0.003 Å
• b: 12.547 ± 0.003 Å
• c: 12.71 ± 0.003 Å
• α: 94.592 ± 0.004°
• β: 117.208 ± 0.004°
• γ: 115.894 ± 0.004°
• Cell volume: 1484.6 ± 0.6 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No