Information card for entry 4307157

Structure parameters

• Formula: C16 H32 Br4 Fe Mg O4
• Calculated formula: C16 H32 Br4 Fe Mg O4
• SMILES: [Br]1[Fe](Br)(Br)[Br][Mg]1([O]1CCCC1)([O]1CCCC1)([O]1CCCC1)[O]1CCCC1
• Title of publication: Reverse Photochromic Behavior of an Iron-Magnesium Complex
• Authors of publication: Minoru Kobayashi; Akito Takashima; Tomohiko Ishii; Hiroshi Naka; Masanobu Uchiyama; Kentaro Yamaguchi
• Journal of publication: Inorganic Chemistry
• Year of publication: 2007
• Journal volume: 46
• Pages of publication: 1039 - 1041
• a: 16.5172 ± 0.0016 Å
• b: 9.7901 ± 0.0009 Å
• c: 16.2392 ± 0.0015 Å
• α: 90°
• β: 114.288 ± 0.001°
• γ: 90°
• Cell volume: 2393.5 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0607
• Residual factor for significantly intense reflections: 0.0446
• Weighted residual factors for significantly intense reflections: 0.1289
• Weighted residual factors for all reflections included in the refinement: 0.1379
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No