Information card for entry 4100518

Structure parameters

• Formula: C76 H109 Fe3 N2 Ni O1.5 P S13
• Calculated formula: C76 H75 Fe3 N2 Ni O1.5 P S13
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2005
• a: 16.301 ± 0.002 Å
• b: 20.044 ± 0.003 Å
• c: 27.789 ± 0.004 Å
• α: 90°
• β: 95.832 ± 0.003°
• γ: 90°
• Cell volume: 9033 ± 2 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 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