Information card for entry 7100983

Structure parameters

• Formula: C40 H53 Fe N9
• Calculated formula: C40 H53 Fe N9
• SMILES: c12cccc3[n]1[Fe](=C1N2C=CN1c1c(cccc1C(C)C)C(C)C)(=C1N3C=CN1c1c(cccc1C(C)C)C(C)C)([N]#N)[N]#N.C(CC)CC
• 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: 8.707 ± 0.0017 Å
• b: 15.226 ± 0.003 Å
• c: 15.788 ± 0.005 Å
• α: 73.78 ± 0.02°
• β: 79.44 ± 0.02°
• γ: 76.978 ± 0.016°
• Cell volume: 1941.8 ± 0.8 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• 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