Information card for entry 7708905

Structure parameters

• Formula: C14 H27 I N2 Si Zn
• Calculated formula: C14 H27 I N2 Si Zn
• SMILES: C[N]1(C)CC[N](C)(C)[Zn]1(I)[Si](C)(C)c1ccccc1
• Title of publication: Spin-State Control of Cobalt(II) and Iron(II) Complexes with Click-Derived Tripodal Ligands Through Non-Covalent and Fluorine-Specific Interactions
• Authors of publication: Nößler, Maite; Hunger, David; Reichert, Felix; Winkler, Mario; Reimann, Marc; Klein, Johannes; Suhr, Simon; Suntrup, Lisa; Beerhues, Julia; Kaupp, Martin; van Slageren, Joris; Sarkar, Biprajit
• Journal of publication: Dalton Transactions
• Year of publication: 2021
• a: 15.0253 ± 0.0019 Å
• b: 15.749 ± 0.0019 Å
• c: 16.4568 ± 0.0017 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3894.2 ± 0.8 ų
• Cell temperature: 140 ± 2 K
• Ambient diffraction temperature: 140 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0795
• Residual factor for significantly intense reflections: 0.0436
• Weighted residual factors for significantly intense reflections: 0.0892
• Weighted residual factors for all reflections included in the refinement: 0.1078
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No