Information card for entry 7114136

Structure parameters

• Formula: C27 H38 Fe N12 O4
• Calculated formula: C27 H30 Fe N12 O4
• Title of publication: Second sphere supramolecular chirality: racemic hybrid H-bonded 2-D molecular networks
• Authors of publication: Ferlay, Sylvie; Félix, Olivier; Hosseini, Mir Wais; Planeix, Jean-Marc; Kyritsakas, Nathalie
• Journal of publication: Chemical Communications
• Year of publication: 2002
• Journal issue: 7
• Pages of publication: 702
• a: 7.1092 ± 0.0002 Å
• b: 12.4303 ± 0.0004 Å
• c: 17.9853 ± 0.0006 Å
• α: 83.443 ± 0.005°
• β: 87.583 ± 0.005°
• γ: 84.059 ± 0.005°
• Cell volume: 1569.73 ± 0.09 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 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: 0.093
• Residual factor for significantly intense reflections: 0.049
• Weighted residual factors for all reflections: 0.5
• Weighted residual factors for all reflections included in the refinement: 0.073
• Goodness-of-fit parameter for all reflections: 9.547
• Goodness-of-fit parameter for all reflections included in the refinement: 1.259
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Mo-Kα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No