Information card for entry 7132113

Structure parameters

• Formula: C22 H63 Fe2 K N4 Si6
• Calculated formula: C22 H63 Fe2 K N4 Si6
• Title of publication: A low-coordinate iron organoazide complex.
• Authors of publication: Gonzalez, Andres; Demeshko, Serhiy; Meyer, Franc; Werncke, C. Gunnar
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2023
• a: 9.2649 ± 0.0004 Å
• b: 14.9686 ± 0.0006 Å
• c: 27.644 ± 0.0011 Å
• α: 90°
• β: 93.938 ± 0.002°
• γ: 90°
• Cell volume: 3824.7 ± 0.3 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.0329
• Residual factor for significantly intense reflections: 0.0284
• Weighted residual factors for significantly intense reflections: 0.0632
• Weighted residual factors for all reflections included in the refinement: 0.0648
• Goodness-of-fit parameter for all reflections included in the refinement: 1.101
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No