Information card for entry 2300692

Structure parameters

• Formula: C42 H93 F21 N18 O32 Pr4
• Calculated formula: C42 H93 F21 N18 O32 Pr4
• Title of publication: Quick and robust PDF data acquisition using a laboratory single-crystal X-ray diffractometer for study of polynuclear lanthanide complexes in solid form and in solution
• Authors of publication: Tsymbarenko, Dmitry; Grebenyuk, Dimitry; Burlakova, Maria; Zobel, Mirijam
• Journal of publication: Journal of Applied Crystallography
• Year of publication: 2022
• Journal volume: 55
• Journal issue: 4
• Pages of publication: 890 - 900
• a: 27.6254 ± 0.0009 Å
• b: 12.7853 ± 0.0004 Å
• c: 23.5496 ± 0.0008 Å
• α: 90°
• β: 98.4791 ± 0.0011°
• γ: 90°
• Cell volume: 8226.8 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.0564
• Residual factor for significantly intense reflections: 0.0502
• Weighted residual factors for significantly intense reflections: 0.1315
• Weighted residual factors for all reflections included in the refinement: 0.1376
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes