Information card for entry 7100068

Structure parameters

• Formula: C33 H45 Cl Fe N3 O
• Calculated formula: C33 H45 Cl Fe N3 O
• SMILES: [Fe]12(Cl)([O](CC)CC)[N](=C(C)c3[n]1c(ccc3)C(=[N]2c1c(cccc1CC)CC)C)c1c(cccc1CC)CC
• Title of publication: Square planar bis(imino)pyridine iron halide and alkyl complexes
• Authors of publication: Paul Chirik; Suzanne C. Bart; Marco W. Bouwkamp; Eric J. Hawrelak; Emil Lobkovsky; Ryan J. Trovitch
• Journal of publication: Chemical Communications
• Year of publication: 2005
• a: 13.1161 ± 0.0005 Å
• b: 19.2048 ± 0.0008 Å
• c: 13.5204 ± 0.0006 Å
• α: 90°
• β: 115.146 ± 0.001°
• γ: 90°
• Cell volume: 3082.9 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• 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