Information card for entry 7105802

Structure parameters

• Chemical name: 2-chloro-3-(dimethylamino-methylidenyl)-ind-1-en-1-yl-methylidenyl- dimethylammoniumium tetrafluoroborate
• Formula: C15 H18 B Cl F4 N2
• Calculated formula: C15 H18 B Cl F4 N2
• SMILES: C1(=C(c2c(C1=CN(C)C)cccc2)C=[NH+](C)C)Cl.[B](F)(F)(F)[F-]
• Title of publication: Metal complexes with carbene ligands stabilized by lateral enamines
• Authors of publication: Manuel Alcarazo; Karin Radkowski; Richard Goddard; Alois Furstner
• Journal of publication: Chem.Commun.
• Year of publication: 2011
• Journal volume: 47
• Pages of publication: 776
• a: 12.1625 ± 0.0005 Å
• b: 17.6971 ± 0.0007 Å
• c: 7.3078 ± 0.0003 Å
• α: 90°
• β: 96.479 ± 0.002°
• γ: 90°
• Cell volume: 1562.89 ± 0.11 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0364
• Residual factor for significantly intense reflections: 0.0344
• Weighted residual factors for significantly intense reflections: 0.0907
• Weighted residual factors for all reflections included in the refinement: 0.0926
• Goodness-of-fit parameter for all reflections included in the refinement: 1.165
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No