Information card for entry 4304763

Structure parameters

• Formula: C35 H47 B Fe S3
• Calculated formula: C35 H47 B Fe S3
• SMILES: [Fe]123([S](C[B](c4ccccc4)(C[S]1C(C)(C)C)C[S]2C(C)(C)C)C(C)(C)C)[C](#[C]3c1ccccc1)c1ccccc1
• Title of publication: Monovalent Iron in a Sulfur-Rich Environment
• Authors of publication: Michael T. Mock; Codrina V. Popescu; Glenn P. A. Yap; William G. Dougherty; Charles G. Riordan
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 1889 - 1891
• a: 10.268 ± 0.004 Å
• b: 10.576 ± 0.005 Å
• c: 17.652 ± 0.007 Å
• α: 78.533 ± 0.006°
• β: 75.747 ± 0.006°
• γ: 65.471 ± 0.006°
• Cell volume: 1680.1 ± 1.2 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.064
• Residual factor for significantly intense reflections: 0.0511
• Weighted residual factors for significantly intense reflections: 0.1362
• Weighted residual factors for all reflections included in the refinement: 0.1463
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No