Information card for entry 7112089

Structure parameters

• Formula: C100 H90 B4 F4 Fe2 N14 O12
• Calculated formula: C100 H90 B4 F4 Fe2 N14 O12
• Title of publication: Copper-promoted reductive homocoupling of quasi-aromatic iron(II) clathrochelates: boosting the inhibitory activity in a transcription assay
• Authors of publication: O. A. Varzatskii; V. V. Novikov; S. V. Shulga; A. S. Belov; A. V. Vologzhanina; V. V. Negrutska; I. Y. Dubey; Yu. N. Bubnov; Ya. Z. Voloshin
• Journal of publication: Chem. Commun.
• Year of publication: 2014
• Journal volume: 50
• Pages of publication: 3166
• a: 12.04 ± 0.007 Å
• b: 19.399 ± 0.012 Å
• c: 23.44 ± 0.02 Å
• α: 107.911 ± 0.013°
• β: 96.646 ± 0.013°
• γ: 105.862 ± 0.009°
• Cell volume: 4890 ± 6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.2956
• Residual factor for significantly intense reflections: 0.1184
• Weighted residual factors for significantly intense reflections: 0.2462
• Weighted residual factors for all reflections included in the refinement: 0.2886
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No