Information card for entry 7020439

Structure parameters

• Formula: C26 H19 F6 N7 O3 P Re
• Calculated formula: C26 H19 F6 N7 O3 P Re
• SMILES: [Re]12(C#[O])(C#[O])(C#[O])[n]3nc(c4ccccc4)cn3Cc3cccc(Cn4cc(c5ccccc5)n[n]24)[n]13.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: fac-Re(CO)(3) complexes of 2,6-bis(4-substituted-1,2,3-triazol-1-ylmethyl)pyridine "click" ligands: synthesis, characterisation and photophysical properties.
• Authors of publication: Anderson, Christopher B.; Elliott, Anastasia B. S.; Lewis, James E. M.; McAdam, C. John; Gordon, Keith C.; Crowley, James D.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 48
• Pages of publication: 14625 - 14632
• a: 11.3982 ± 0.001 Å
• b: 13.1939 ± 0.001 Å
• c: 18.7735 ± 0.0016 Å
• α: 90°
• β: 99.246 ± 0.003°
• γ: 90°
• Cell volume: 2786.6 ± 0.4 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0423
• Residual factor for significantly intense reflections: 0.0342
• Weighted residual factors for significantly intense reflections: 0.0741
• Weighted residual factors for all reflections included in the refinement: 0.0777
• Goodness-of-fit parameter for all reflections included in the refinement: 0.98
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No