Information card for entry 4337563

Structure parameters

• Formula: C22 H14 F3 N6 O7 Re S
• Calculated formula: C22 H14 F3 N6 O7 Re S
• SMILES: C(#[O])[Re]1(C#[O])(C#[O])([n]2nc(c3ccc(cc3)C=O)[nH]n2)[n]2ccccc2c2cccc[n]12.C(F)(F)(F)S(=O)(=O)[O-]
• Title of publication: Proton-induced reversible modulation of the luminescent output of rhenium(I), iridium(III), and ruthenium(II) tetrazolate complexes.
• Authors of publication: Werrett, Melissa V.; Muzzioli, Sara; Wright, Phillip J.; Palazzi, Antonio; Raiteri, Paolo; Zacchini, Stefano; Massi, Massimiliano; Stagni, Stefano
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 1
• Pages of publication: 229 - 243
• a: 14.9375 ± 0.0012 Å
• b: 9.6047 ± 0.0008 Å
• c: 18.274 ± 0.0015 Å
• α: 90°
• β: 91.582 ± 0.001°
• γ: 90°
• Cell volume: 2620.8 ± 0.4 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 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: 0.0481
• Residual factor for significantly intense reflections: 0.0352
• Weighted residual factors for significantly intense reflections: 0.0904
• Weighted residual factors for all reflections included in the refinement: 0.0986
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No