Information card for entry 7100985

Structure parameters

• Formula: C37 H45 Fe N7
• Calculated formula: C37 H45 Fe N7
• SMILES: c12cccc3[n]1[Fe]1(=C4N2C=CN4c2c(cccc2C(C)C)C(C)C)(=C2N3C=CN2c2c(cccc2C(C)C)C(C)C)([CH2]=[CH2]1)[N]#N
• Title of publication: Molecular N2 complexes of iron stabilised by N-heterocyclic 'pincer' dicarbene ligands
• Authors of publication: Danopoulos, Andreas A.; Wright, Joseph A.; Motherwell, Willam B.
• Journal of publication: Chemical Communications
• Year of publication: 2005
• a: 31.84 ± 0.05 Å
• b: 8.911 ± 0.012 Å
• c: 23.56 ± 0.05 Å
• α: 90°
• β: 92.3 ± 0.2°
• γ: 90°
• Cell volume: 6679 ± 20 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No