Information card for entry 7026067

Structure parameters

• Formula: C21 H17 F12 N4 O3 P2 Re
• Calculated formula: C21 H17 F12 N4 O3 P2 Re
• SMILES: [Re]1([n]2c(cccc2)c2[n]1c(ccc2)c1[n+](cccc1)C)(C#[O])(C#[O])(C#[O])[N]#CC.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Functionalisation of terpyridine complexes containing the Re(CO)3(+) moiety.
• Authors of publication: Amoroso, Angelo J.; Banu, Afrosa; Coogan, Michael P.; Edwards, Peter G.; Hossain, Golzar; Malik, K. M. Abdul
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 30
• Pages of publication: 6993 - 7003
• a: 11.3456 ± 0.0003 Å
• b: 12.0228 ± 0.0003 Å
• c: 20.3267 ± 0.0006 Å
• α: 90°
• β: 91.899 ± 0.001°
• γ: 90°
• Cell volume: 2771.16 ± 0.13 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0654
• Residual factor for significantly intense reflections: 0.0459
• Weighted residual factors for significantly intense reflections: 0.1033
• Weighted residual factors for all reflections included in the refinement: 0.1092
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No