Information card for entry 7012701

Structure parameters

• Formula: C31 H18 Cl2 F9 Gd N3 O6 S3
• Calculated formula: C31 H16 Cl2 F9 Gd N3 O6 S3
• Title of publication: Visible-light sensitisation of near-infrared luminescence from Yb(iii), Nd(iii) and Er(iii) complexes of 3,6-bis(2-pyridyl)tetrazine
• Authors of publication: Shavaleev, Nail M.; Pope, Simon J. A.; Bell, Zöe R.; Faulkner, Stephen; Ward, Michael D.
• Journal of publication: Dalton Transactions
• Year of publication: 2003
• Journal issue: 5
• Pages of publication: 808
• a: 10.2615 ± 0.0012 Å
• b: 19.677 ± 0.003 Å
• c: 19.167 ± 0.004 Å
• α: 90°
• β: 105.384 ± 0.013°
• γ: 90°
• Cell volume: 3731.4 ± 1.1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 8
• 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: 0.1057
• Residual factor for significantly intense reflections: 0.0495
• Weighted residual factors for significantly intense reflections: 0.1
• Weighted residual factors for all reflections included in the refinement: 0.1177
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No