Information card for entry 7104261

Structure parameters

• Formula: C69 H60 F18 N12 O11 P3 Re3
• Calculated formula: C69 H60 F18 N12 O11 P3 Re3
• SMILES: [Re]1([n]2cc(c3nc(nc(n3)c3c[n]([Re]4([n]5c(cc(cc5)C)c5[n]4ccc(c5)C)(C#[O])(C#[O])C#[O])ccc3)c3c[n]([Re]4([n]5c(cc(cc5)C)c5[n]4ccc(c5)C)(C#[O])(C#[O])C#[O])ccc3)ccc2)([n]2c(cc(cc2)C)c2[n]1ccc(c2)C)(C#[O])(C#[O])C#[O].[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].O=C(C)C.O=C(C)C
• Title of publication: Colorimetric and luminescent sensing of F- anion through strong anion-pi interaction inside the pi-acidic cavity of a pyridyl-triazine bridged trinuclear Re(I)-tricarbonyl diimine complex.
• Authors of publication: Hung, Chen-Yen; Singh, Ashutosh S; Chen, Chih-Wei; Wen, Yuh-Sheng; Sun, Shih-Sheng
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2009
• Journal volume: 34
• Journal issue: 12
• Pages of publication: 1511 - 1513
• a: 22.81 ± 0.0005 Å
• b: 25.0562 ± 0.0005 Å
• c: 14.1649 ± 0.0003 Å
• α: 90°
• β: 99.458 ± 0.001°
• γ: 90°
• Cell volume: 7985.6 ± 0.3 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 7
• 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: 0.0605
• Residual factor for significantly intense reflections: 0.044
• Weighted residual factors for significantly intense reflections: 0.1168
• Weighted residual factors for all reflections included in the refinement: 0.1291
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Duplicate of: 7104243
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No