Information card for entry 7048783

Structure parameters

• Formula: C13 H27 Fe K N2 O9
• Calculated formula: C13 H27 Fe K N2 O9
• Title of publication: Insight into chalcogenolate-bound {Fe(NO)₂}⁹ dinitrosyl iron complexes (DNICs): covalent character versus ionic character.
• Authors of publication: Liu, Pai-Heng; Tsai, Fu-Te; Chen, Bo-Hao; Hsu, I-Jui; Hsieh, Hung-Hsi; Liaw, Wen-Feng
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 18
• Pages of publication: 6040 - 6050
• a: 11.8963 ± 0.0015 Å
• b: 8.4665 ± 0.0009 Å
• c: 20.035 ± 0.002 Å
• α: 90°
• β: 91.071 ± 0.004°
• γ: 90°
• Cell volume: 2017.6 ± 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: 0.0569
• Residual factor for significantly intense reflections: 0.0436
• Weighted residual factors for significantly intense reflections: 0.1096
• Weighted residual factors for all reflections included in the refinement: 0.1157
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No