Information card for entry 7026066

Structure parameters

• Formula: C19 H14 Cl F6 N3 O3 P Re
• Calculated formula: C19 H14 Cl F6 N3 O3 P Re
• SMILES: [Re]1(Cl)([n]2ccccc2c2[n]1c(ccc2)c1[n+](cccc1)C)(C#[O])(C#[O])C#[O].[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: 6.8448 ± 0.0002 Å
• b: 12.7464 ± 0.0004 Å
• c: 13.4209 ± 0.0005 Å
• α: 71.41 ± 0.001°
• β: 83.955 ± 0.001°
• γ: 78.609 ± 0.001°
• Cell volume: 1086.84 ± 0.06 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0507
• Residual factor for significantly intense reflections: 0.0388
• Weighted residual factors for significantly intense reflections: 0.0793
• Weighted residual factors for all reflections included in the refinement: 0.0843
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No