Information card for entry 7062846

Structure parameters

• Chemical name: octadecacarbonyl-hexachloro-bis[3-(pyridin-2-yl-κN)tri-imidazo[1,2-a:1',2'-c:1'',2''-e][1,3,5]triazine-κN^5^]-hexarhenium n-hexane solvate
• Formula: C70 H74 Cl6 N14 O18 Re6
• Calculated formula: C70 H74 Cl6 N14 O18 Re6
• SMILES: [Re]12([Cl][Re]3([Cl][Re]([Cl]3)([n]3c4n5c6n7c(cnc7n4cc3)c3[n]([Re]([Cl][Re]4([Cl][Re]([Cl]4)([n]4c7n8c(n9c(cnc9n7cc4)c4[n]2cccc4)[n]1cc8)(C#[O])(C#[O])C#[O])(C#[O])(C#[O])C#[O])(C#[O])(C#[O])(C#[O])[n]6cc5)cccc3)(C#[O])(C#[O])C#[O])(C#[O])(C#[O])C#[O])(C#[O])(C#[O])C#[O].CCCCCC.CCCCCC.CCCCCC.CCCCCC
• 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: 14.0102 ± 0.0015 Å
• b: 35.458 ± 0.004 Å
• c: 18.735 ± 0.002 Å
• α: 90°
• β: 110.31 ± 0.002°
• γ: 90°
• Cell volume: 8728.4 ± 1.7 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0483
• Residual factor for significantly intense reflections: 0.0365
• Weighted residual factors for significantly intense reflections: 0.0741
• Weighted residual factors for all reflections included in the refinement: 0.0786
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No