Information card for entry 7708971

Structure parameters

• Formula: C25 H60 Fe K N2 O7 Si4
• Calculated formula: C25 H60 Fe K N2 O7 Si4
• SMILES: [Fe](N([Si](C)(C)C)[Si](C)(C)C)(N([Si](C)(C)C)[Si](C)(C)C)C#[O][K]12345[O]6CC[O]1CC[O]5CC[O]4CC[O]3CC[O]2CC6
• Title of publication: High-spin carbonyl complexes of iron(I) and cobalt(I).
• Authors of publication: Schneider, Christian; Guggolz, Lukas; Werncke, C. Gunnar
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2021
• Journal volume: 51
• Journal issue: 1
• Pages of publication: 179 - 184
• a: 8.6181 ± 0.0005 Å
• b: 19.958 ± 0.001 Å
• c: 23.1156 ± 0.0012 Å
• α: 90°
• β: 90.923 ± 0.002°
• γ: 90°
• Cell volume: 3975.4 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100.01 K
• Number of distinct elements: 7
• 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: 0.0528
• Residual factor for significantly intense reflections: 0.0328
• Weighted residual factors for significantly intense reflections: 0.0638
• Weighted residual factors for all reflections included in the refinement: 0.0695
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No