Information card for entry 7060071

Structure parameters

• Common name: YbDMP(acetate)(1,10-phen).0.65CH2Cl2.1.82CH3OH
• Formula: C54.47 H50.76 Cl1.3 N6 O3.82 Yb
• Calculated formula: C54.47 H50.76 Cl1.3 N6 O3.82 Yb
• Title of publication: A conjugated porphyrin as a red-light sensitizer for near-infrared emission of ytterbium(iii) ion
• Authors of publication: Balasooriya, Dinesh; Liu, Beibei; He, Hongshan; Sykes, Andew; May, P. Stanley
• Journal of publication: New Journal of Chemistry
• Year of publication: 2020
• Journal volume: 44
• Journal issue: 43
• Pages of publication: 18756 - 18762
• a: 11.3239 ± 0.0009 Å
• b: 16.5128 ± 0.0014 Å
• c: 25.834 ± 0.002 Å
• α: 90°
• β: 93.671 ± 0.001°
• γ: 90°
• Cell volume: 4820.8 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0608
• Residual factor for significantly intense reflections: 0.0484
• Weighted residual factors for significantly intense reflections: 0.1187
• Weighted residual factors for all reflections included in the refinement: 0.1302
• Goodness-of-fit parameter for all reflections included in the refinement: 1.156
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No