Information card for entry 7033370

Structure parameters

• Chemical name: -Carbido diiron octapropylporphyrazine
• Formula: C84 H115 Fe2 N16
• Calculated formula: C84 H115 Fe2 N16
• 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: 15.6968 ± 0.0007 Å
• b: 16.2539 ± 0.0007 Å
• c: 18.4666 ± 0.0008 Å
• α: 88.845 ± 0.001°
• β: 76.647 ± 0.001°
• γ: 62.245 ± 0.001°
• Cell volume: 4035.7 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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 all reflections: 0.0583
• Residual factor for significantly intense reflections: 0.0436
• Weighted residual factors for significantly intense reflections: 0.1105
• Weighted residual factors for all reflections included in the refinement: 0.1209
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No