Information card for entry 4100997

Structure parameters

• Common name: holjs30
• Formula: C72 H82 Fe2 N6
• Calculated formula: C72 H82 Fe2 N6
• SMILES: [N]([Fe]1N(c2c(cccc2C(C)C)C(C)C)C(=CC(=[N]1c1c(cccc1C(C)C)C(C)C)C)C)#[N][Fe]1N(c2c(cccc2C(C)C)C(C)C)C(=CC(=[N]1c1c(cccc1C(C)C)C(C)C)C)C.CCCCC.CCCCC.CCCCC
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2006
• a: 16.3553 ± 0.0012 Å
• b: 19.5546 ± 0.0014 Å
• c: 13.4403 ± 0.001 Å
• α: 90°
• β: 126.865 ± 0.001°
• γ: 90°
• Cell volume: 3439 ± 0.4 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 4
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No