Information card for entry 7708972

Structure parameters

• Formula: C31 H72 Co K N4 O7 Si4
• Calculated formula: C31 H72 Co K N4 O7 Si4
• SMILES: [Co](N([Si](C)(C)C)[Si](C)(C)C)(N([Si](C)(C)C)[Si](C)(C)C)C#[O].[K]1234567[O]8CC[N]96CC[O]4CC[O]5CC[N]7(CC[O]1CC8)CC[O]3CC[O]2CC9
• 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: 12.5496 ± 0.0005 Å
• b: 13.9247 ± 0.0006 Å
• c: 15.1024 ± 0.0006 Å
• α: 111.711 ± 0.001°
• β: 92.932 ± 0.001°
• γ: 108.901 ± 0.001°
• Cell volume: 2275.4 ± 0.16 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0593
• Residual factor for significantly intense reflections: 0.0382
• Weighted residual factors for significantly intense reflections: 0.0807
• Weighted residual factors for all reflections included in the refinement: 0.0877
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No