Information card for entry 1562279

Structure parameters

• Formula: C37 H30 Mn N7 Sb Se4
• Calculated formula: C37 H30 Mn N7 Sb Se4
• SMILES: [Sb]1([Se][Mn]23([Se]1)([n]1cccc4ccc5ccc[n]2c5c14)[n]1cccc2ccc4ccc[n]3c4c12)(=[Se])[Se-].n1cccc2ccc3cccnc3c12.C[NH3+]
• Title of publication: Syntheses, crystal and band structures, and optical properties of a selenidoantimonate and an iron polyselenide
• Authors of publication: Liu, Guang-Ning; Zhu, Wen-Juan; Zhang, Ming-Jian; Xu, Bo; Liu, Qi-Sheng; Zhang, Zhen-Wei; Li, Cuncheng
• Journal of publication: Journal of Solid State Chemistry
• Year of publication: 2014
• Journal volume: 218
• Pages of publication: 109 - 115
• a: 15.569 ± 0.0003 Å
• b: 10.1788 ± 0.0002 Å
• c: 23.3104 ± 0.0004 Å
• α: 90°
• β: 94.958 ± 0.002°
• γ: 90°
• Cell volume: 3680.26 ± 0.12 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.036
• Residual factor for significantly intense reflections: 0.0262
• Weighted residual factors for significantly intense reflections: 0.0565
• Weighted residual factors for all reflections included in the refinement: 0.0605
• Goodness-of-fit parameter for all reflections included in the refinement: 0.998
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No