Information card for entry 7034456

Structure parameters

• Formula: C66 H59 B2 F8 N5 Ni P4
• Calculated formula: C66 H59 B2 F8 N5 Ni P4
• Title of publication: Covalent attachment of diphosphine ligands to glassy carbon electrodes via Cu-catalyzed alkyne-azide cycloaddition. Metallation with Ni(ii).
• Authors of publication: Das, Atanu K.; Engelhard, Mark H.; Lense, Sheri; Roberts, John A. S.; Bullock, R. Morris
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 27
• Pages of publication: 12225 - 12233
• a: 40.88 ± 0.004 Å
• b: 18.1318 ± 0.0016 Å
• c: 18.7843 ± 0.0016 Å
• α: 90°
• β: 102.654 ± 0.005°
• γ: 90°
• Cell volume: 13585 ± 2 ų
• Cell temperature: 140 ± 2 K
• Ambient diffraction temperature: 140 ± 2 K
• Number of distinct elements: 7
• 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: 0.1677
• Residual factor for significantly intense reflections: 0.0759
• Weighted residual factors for significantly intense reflections: 0.1789
• Weighted residual factors for all reflections included in the refinement: 0.2096
• Goodness-of-fit parameter for all reflections included in the refinement: 0.907
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No