Information card for entry 7113776

Structure parameters

• Formula: C25 H28 Fe N10 O
• Calculated formula: C25 H28 Fe N10 O
• Title of publication: Charge assisted chiral hybrid H-bonded molecular networks
• Authors of publication: Ferlay, Sylvie; Holakovsky, Roman; Hosseini, Mir Wais; Planeix, Jean-Marc; Kyritsakas, Nathalie
• Journal of publication: Chemical Communications (Cambridge, United Kingdom)
• Year of publication: 2003
• Journal issue: 11
• Pages of publication: 1224 - 1225
• a: 6.8414 ± 0.0002 Å
• b: 18.2099 ± 0.0005 Å
• c: 21.0634 ± 0.0006 Å
• α: 90°
• β: 97.29 ± 0.005°
• γ: 90°
• Cell volume: 2602.89 ± 0.13 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.175
• Residual factor for significantly intense reflections: 0.045
• Weighted residual factors for all reflections: 0.382
• Weighted residual factors for all reflections included in the refinement: 0.048
• Goodness-of-fit parameter for all reflections: 9.817
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Mo-Kα
• Duplicate of: 7103668
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No