Information card for entry 4087273

Structure parameters

• Formula: C32 H34 B F5 N6 O3 S
• Calculated formula: C32 H34 B F5 N6 O3 S
• SMILES: [B]1(F)(F)[n]2c(C)c(CC)c(C)c2=C(c2ccc(cc2)n2nnc(c2)c2cccc[n+]2C)c2c(C)c(CC)c(C)n12.O=S(=O)([O-])C(F)(F)F
• Title of publication: Triazolylidene Metal Complexes Tagged with a Bodipy Chromophore: Synthesis and Monitoring of Ligand Exchange Reactions
• Authors of publication: Navarro, Miquel; Wang, Suxiao; Müller-Bunz, Helge; Redmond, Gareth; Farràs, Pau; Albrecht, Martin
• Journal of publication: Organometallics
• Year of publication: 2017
• Journal volume: 36
• Journal issue: 8
• Pages of publication: 1469
• a: 7.5753 ± 0.00009 Å
• b: 12.1883 ± 0.0002 Å
• c: 17.3804 ± 0.0002 Å
• α: 90°
• β: 96.031 ± 0.001°
• γ: 90°
• Cell volume: 1595.85 ± 0.04 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0372
• Residual factor for significantly intense reflections: 0.0347
• Weighted residual factors for significantly intense reflections: 0.0858
• Weighted residual factors for all reflections included in the refinement: 0.0878
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No