Information card for entry 4062156

Structure parameters

• Formula: C42 H44 Cl6 Fe N3 P
• Calculated formula: C42 H44 Cl6 Fe N3 P
• SMILES: [Fe]1(Cl)(Cl)[N](=P(c2ccccc2)(c2ccccc2)c2[n]1c(c1ccccc1)c([n]2C)c1ccccc1)c1c(cccc1C(C)C)C(C)C.C(Cl)Cl.C(Cl)Cl
• Journal of publication: Organometallics
• Year of publication: 2003
• a: 16.006 ± 0.009 Å
• b: 18.784 ± 0.011 Å
• c: 16.33 ± 0.009 Å
• α: 90°
• β: 113.89 ± 0.011°
• γ: 90°
• Cell volume: 4489 ± 4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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