Information card for entry 4308790

Structure parameters

• Formula: C68 H135 Fe N12 O4 S
• Calculated formula: C68 H135 Fe N12 O4 S
• Title of publication: Amide-Ligand Hydrogen Bonding in Reverse Micelles
• Authors of publication: Marc A. Walters; Pamela M. Tadross; Arnold L. Rheingold; Lev N. Zakharov; Danai Mudzudzu; John Texter
• Journal of publication: Inorganic Chemistry
• Year of publication: 2005
• Journal volume: 44
• Pages of publication: 1172 - 1174
• a: 11.6444 ± 0.0015 Å
• b: 14.3461 ± 0.0017 Å
• c: 24.658 ± 0.003 Å
• α: 74.053 ± 0.003°
• β: 77.117 ± 0.002°
• γ: 83.995 ± 0.003°
• Cell volume: 3856.8 ± 0.8 ų
• Cell temperature: 218 ± 2 K
• Ambient diffraction temperature: 218 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1625
• Residual factor for significantly intense reflections: 0.1089
• Weighted residual factors for significantly intense reflections: 0.2552
• Weighted residual factors for all reflections included in the refinement: 0.2894
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No