Information card for entry 7709578

Structure parameters

• Formula: C34 H71 Cl Mn2 N4 Si6
• Calculated formula: C34 H71 Cl Mn2 N4 Si6
• SMILES: [Mn]123([H][Mn]45([Cl]1)[N](C[Si](C5([Si](C)(C)C)[Si](C)(C)C)(C)C)(C)Cc1[n]4cccc1)[N](C[Si](C3([Si](C)(C)C)[Si](C)(C)C)(C)C)(C)Cc1[n]2cccc1
• Title of publication: Trisyl-based multidentate ligands: synthesis and their transition-metal complexes
• Authors of publication: Yin, Zhu-Bao; Wei, Junnian; Xi, Zhenfeng
• Journal of publication: Dalton Transactions
• Year of publication: 2022
• a: 9.3689 ± 0.0009 Å
• b: 14.5884 ± 0.0011 Å
• c: 21.1472 ± 0.0012 Å
• α: 69.939 ± 0.006°
• β: 86.262 ± 0.007°
• γ: 74.947 ± 0.007°
• Cell volume: 2620.9 ± 0.4 ų
• Cell temperature: 180 ± 0.1 K
• Ambient diffraction temperature: 180 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0997
• Residual factor for significantly intense reflections: 0.0828
• Weighted residual factors for significantly intense reflections: 0.2128
• Weighted residual factors for all reflections included in the refinement: 0.2237
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No