Information card for entry 4101005

Structure parameters

• Common name: holjs96
• Formula: C74 H98 Fe2 N4 O2
• Calculated formula: C74 H98 Fe2 N4 O2
• SMILES: [Fe]1(N(c2c(cccc2C(C)C)C(C)C)C(=CC(=[N]1c1c(C(C)C)cccc1C(C)C)C)C)O[C@@](c1ccccc1)([C@@](O[Fe]1N(C(=CC(=[N]1c1c(C(C)C)cccc1C(C)C)C)C)c1c(C(C)C)cccc1C(C)C)(c1ccccc1)C)C.[Fe]1(N(c2c(cccc2C(C)C)C(C)C)C(=CC(=[N]1c1c(C(C)C)cccc1C(C)C)C)C)O[C@](c1ccccc1)([C@](O[Fe]1N(C(=CC(=[N]1c1c(C(C)C)cccc1C(C)C)C)C)c1c(C(C)C)cccc1C(C)C)(c1ccccc1)C)C
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2006
• a: 11.7555 ± 0.0018 Å
• b: 28.352 ± 0.004 Å
• c: 20.585 ± 0.003 Å
• α: 90°
• β: 92.379 ± 0.003°
• γ: 90°
• Cell volume: 6854.7 ± 1.8 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No