Information card for entry 7062250

Structure parameters

• Formula: C84 H100 Gd K N8 O7 S4 Si2
• Calculated formula: C84 H100 Gd K N8 O7 S4 Si2
• Title of publication: Synthesis and photophysical properties of rare earth (La, Nd, Gd, Y, Ho) complexes with silanediamido ligands bearing a chelating phenylbenzothiazole chromophore
• Authors of publication: Mironova, Olga A.; Ryadun, Aleksey A.; Sukhikh, Taisiya S.; Pushkarevsky, Nikolay A.; Konchenko, Sergey N.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2023
• Journal volume: 47
• Journal issue: 7
• Pages of publication: 3406 - 3416
• a: 12.3738 ± 0.0003 Å
• b: 18.5982 ± 0.0004 Å
• c: 18.9764 ± 0.0005 Å
• α: 90.213 ± 0.001°
• β: 91.559 ± 0.001°
• γ: 108.26 ± 0.001°
• Cell volume: 4145.26 ± 0.17 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: 0.0626
• Residual factor for significantly intense reflections: 0.0465
• Weighted residual factors for significantly intense reflections: 0.0917
• Weighted residual factors for all reflections included in the refinement: 0.1008
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No