Information card for entry 7132866

Structure parameters

• Chemical name: SM-465
• Formula: C40 H57 N3 O Si2 Sr
• Calculated formula: C40 H57 N3 O Si2 Sr
• SMILES: [Sr]12345([O]6CCCC6)(N([Si](C)(C)C)[Si](C)(C)C)[c]67[c]82cccc[c]38[c]4([c]57cccc6)CCN2C=1N(C=C2)c1c(cccc1C(C)C)C(C)C
• Title of publication: Fluorenyl-tethered N-heterocyclic carbene (NHC): an exclusive C-donor ligand for heteroleptic calcium and strontium chemistry.
• Authors of publication: Mondal, Sumana; Sarkar, Subham; Mandal, Chhotan; Mallick, Dibyendu; Mukherjee, Debabrata
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2024
• Journal volume: 60
• Journal issue: 34
• Pages of publication: 4553 - 4556
• a: 22.9542 ± 0.0003 Å
• b: 9.945 ± 0.0001 Å
• c: 37.2321 ± 0.0004 Å
• α: 90°
• β: 105.936 ± 0.001°
• γ: 90°
• Cell volume: 8172.69 ± 0.17 ų
• Cell temperature: 100.01 ± 0.11 K
• Ambient diffraction temperature: 100.15 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0588
• Residual factor for significantly intense reflections: 0.0568
• Weighted residual factors for significantly intense reflections: 0.1785
• Weighted residual factors for all reflections included in the refinement: 0.1803
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No