Information card for entry 7054385

Structure parameters

• Chemical name: 3,3'-(ethane-1,2-diyl)bis(2,2-difluoro-2H-benzo[e][1,3,2]oxazaborinin-3-ium-2-uide)
• Formula: C16 H14 B2 F4 N2 O2
• Calculated formula: C16 H14 B2 F4 N2 O2
• SMILES: [B]1(F)(F)Oc2ccccc2C=[N]1CC[N]1[B](F)(F)Oc2ccccc2C=1
• Title of publication: Luminescent bi-metallic fluoroborate derivatives of bulky salen ligands
• Authors of publication: Guieu, Samuel; Cardona, Francisco; Rocha, João; Silva, Artur M. S.
• Journal of publication: New J. Chem.
• Year of publication: 2014
• Journal volume: 38
• Journal issue: 11
• Pages of publication: 5411
• a: 16.417 ± 0.003 Å
• b: 5.4987 ± 0.0009 Å
• c: 9.0065 ± 0.0016 Å
• α: 90°
• β: 105.664 ± 0.007°
• γ: 90°
• Cell volume: 782.8 ± 0.2 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0614
• Residual factor for significantly intense reflections: 0.047
• Weighted residual factors for significantly intense reflections: 0.1072
• Weighted residual factors for all reflections included in the refinement: 0.1182
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No