Information card for entry 4061195

Structure parameters

• Formula: C17 H16 Br2 Cl4 Fe N2 O2
• Calculated formula: C17 H16 Br2 Cl4 Fe N2 O2
• SMILES: [Fe]1(Cl)(Cl)[n]2c(cccc2C(=[N]1c1c(Br)cccc1Br)C)C(=O)OCC.C(Cl)Cl
• Authors of publication: Xiubo Tang; Biao Wu; Wenjuan Zhang
• Journal of publication: Organometallics
• Year of publication: 2004
• a: 8.1968 ± 0.0016 Å
• b: 8.9615 ± 0.0018 Å
• c: 16.47 ± 0.003 Å
• α: 102.26 ± 0.03°
• β: 98.51 ± 0.03°
• γ: 94.46 ± 0.03°
• Cell volume: 1161.7 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• 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