Information card for entry 7012856

Structure parameters

• Formula: C28 H22 Cl2 Fe N3
• Calculated formula: C28 H22 Cl2 Fe N3
• SMILES: [Fe]12(Cl)(Cl)n3c4c(cc(cc4c4cc(cc(c34)C=[N]2c2ccccc2)C)C)C=[N]1c1ccccc1
• Title of publication: Synthesis and reactivity of 1,8-bis(imino)carbazolide complexes of iron, cobalt and manganese
• Authors of publication: Gibson, Vernon C.; Spitzmesser, Stefan K.; White, Andrew J. P.; Williams, David J.
• Journal of publication: Dalton Transactions
• Year of publication: 2003
• Journal issue: 13
• Pages of publication: 2718
• a: 9.4774 ± 0.0005 Å
• b: 11.4602 ± 0.0006 Å
• c: 11.7408 ± 0.0008 Å
• α: 94.896 ± 0.006°
• β: 101.507 ± 0.007°
• γ: 97.38 ± 0.005°
• Cell volume: 1231.11 ± 0.13 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0623
• Residual factor for significantly intense reflections: 0.0454
• Weighted residual factors for all reflections: 0.1128
• Weighted residual factors for significantly intense reflections: 0.1029
• Goodness-of-fit parameter for all reflections: 1.045
• Goodness-of-fit parameter for significantly intense reflections: 1.082
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No