Information card for entry 7132867

Structure parameters

• Formula: C35.99 H48.98 Ca N3 Si2
• Calculated formula: C35.994 H48.982 Ca N3 Si2
• 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: 21.9451 ± 0.0002 Å
• b: 9.6032 ± 0.0001 Å
• c: 35.7576 ± 0.0003 Å
• α: 90°
• β: 105.893 ± 0.001°
• γ: 90°
• Cell volume: 7247.62 ± 0.12 ų
• Cell temperature: 100.01 ± 0.11 K
• Ambient diffraction temperature: 100.15 K
• Number of distinct elements: 5
• 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: 0.0401
• Residual factor for significantly intense reflections: 0.0394
• Weighted residual factors for significantly intense reflections: 0.1002
• Weighted residual factors for all reflections included in the refinement: 0.1007
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No