Information card for entry 7062845

Structure parameters

• Chemical name: cis-tricarbonyl-chloro-[3-(pyridin-2-yl-κN)tri-imidazo[1,2-a:1',2'-c:1'',2''-e][1,3,5]triazine-κN^5^]-rhenium
• Formula: C17 H9 Cl N7 O3 Re
• Calculated formula: C17 H9 Cl N7 O3 Re
• SMILES: [Re]1(Cl)(C#[O])(C#[O])(C#[O])[n]2c3n4c(cnc4n4c(n3cc2)ncc4)c2[n]1cccc2
• Title of publication: 2-Pyridine cyclic triimidazole as a chelating and bridging ligand in mono- and hexa-nuclear Re(i) complexes with emissive properties in solution and in the solid state
• Authors of publication: Malpicci, Daniele; Maver, Daniele; Maggioni, Daniela; Mercandelli, Pierluigi; Carlucci, Lucia; Cariati, Elena; Mussini, Patrizia; Panigati, Monica
• Journal of publication: New Journal of Chemistry
• Year of publication: 2023
• Journal volume: 47
• Journal issue: 46
• Pages of publication: 21463 - 21474
• a: 11.6604 ± 0.0011 Å
• b: 9.5472 ± 0.0009 Å
• c: 17.1011 ± 0.0016 Å
• α: 90°
• β: 108.955 ± 0.001°
• γ: 90°
• Cell volume: 1800.5 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.013
• Residual factor for significantly intense reflections: 0.0114
• Weighted residual factors for significantly intense reflections: 0.0268
• Weighted residual factors for all reflections included in the refinement: 0.0276
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No