Information card for entry 7033372

Structure parameters

• Formula: C80 H112 Fe2 N16 O
• Calculated formula: C80 H112 Fe2 N16 O
• Title of publication: Synthesis and characterization of μ-nitrido, μ-carbido and μ-oxo dimers of iron octapropylporphyrazine.
• Authors of publication: Colomban, Cédric; Kudrik, Evgeny V.; Tyurin, Dmitry V.; Albrieux, Florian; Nefedov, Sergei E.; Afanasiev, Pavel; Sorokin, Alexander B.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 5
• Pages of publication: 2240 - 2251
• a: 15.5842 ± 0.0013 Å
• b: 16.0628 ± 0.0013 Å
• c: 17.9023 ± 0.0014 Å
• α: 72.561 ± 0.001°
• β: 84.558 ± 0.001°
• γ: 68.541 ± 0.001°
• Cell volume: 3978.5 ± 0.6 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0699
• Residual factor for significantly intense reflections: 0.0468
• Weighted residual factors for significantly intense reflections: 0.1227
• Weighted residual factors for all reflections included in the refinement: 0.1393
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No