Information card for entry 2013262

Structure parameters

• Formula: C56 H54 Fe N6
• Calculated formula: C56 H54 Fe N6
• SMILES: [Fe]123([n]4c5=C(c6ccccc6)c6n3c(C(=c3[n]1c(cc3)C(=c1n2c(=C(c2ccccc2)c4cc5)cc1)c1ccccc1)c1ccccc1)cc6)([NH]1CCC(CC1)C)[NH]1CCC(CC1)C
• Title of publication: [Fe(TPP)(4-MePip)~2~]: an axially compressed bis(secondary amine) complex of an iron(II) porphyrin
• Authors of publication: Munro, Orde Q.; Ntshangase, Mthembeni M.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 6
• Pages of publication: m224 - m227
• a: 10.3189 ± 0.0014 Å
• b: 11.2427 ± 0.0017 Å
• c: 11.8631 ± 0.0015 Å
• α: 93.077 ± 0.012°
• β: 111.112 ± 0.011°
• γ: 113.483 ± 0.012°
• Cell volume: 1145.8 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.0375
• Weighted residual factors for all reflections included in the refinement: 0.107
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes