Information card for entry 7033261

Structure parameters

• Formula: C25 H16 Cl3 D F6 N6 O4 P Re
• Calculated formula: C25 H16 Cl3 D F6 N6 O4 P Re
• Title of publication: Methylated Re(i) tetrazolato complexes: photophysical properties and Light Emitting Devices.
• Authors of publication: Werrett, Melissa V.; Huff, Gregory S.; Muzzioli, Sara; Fiorini, Valentina; Zacchini, Stefano; Skelton, Brian W.; Maggiore, Antonio; Malicka, Joanna M.; Cocchi, Massimo; Gordon, Keith C.; Stagni, Stefano; Massi, Massimiliano
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 18
• Pages of publication: 8379 - 8393
• a: 20.7999 ± 0.0012 Å
• b: 11.1806 ± 0.0005 Å
• c: 26.1866 ± 0.0014 Å
• α: 90°
• β: 99.901 ± 0.005°
• γ: 90°
• Cell volume: 5999.1 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 9
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1115
• Residual factor for significantly intense reflections: 0.0548
• Weighted residual factors for significantly intense reflections: 0.0876
• Weighted residual factors for all reflections included in the refinement: 0.0969
• Goodness-of-fit parameter for all reflections included in the refinement: 0.937
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No