Information card for entry 8107463

Structure parameters

• Formula: C80 H38 Er2 F16 N8 O18
• Calculated formula: C80 H38 Er2 F16 N8 O18
• Title of publication: Crystal structure of (diaqua-bis(phenanthroline-K 2 N,N′)-tetrakis(m 2-3,4,5,6-tetrafluorophthalato-K 4 O,O:O′:O″;K 2 O:O′)dierbium (III) phenanthroline (1/2), C80H38Er2F16N8O18
• Authors of publication: Song, Jun-Ya; Zhang, Xiao-Yu; Zhang, Chun-Li; Zhao, Bei-Bei; Huang, Shi-Jie; Liu, Xinfang
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2023
• Journal volume: 238
• Journal issue: 3
• Pages of publication: 441 - 443
• a: 11.4228 ± 0.0004 Å
• b: 12.6712 ± 0.0003 Å
• c: 13.2663 ± 0.0004 Å
• α: 102.66 ± 0.002°
• β: 98.047 ± 0.003°
• γ: 105.509 ± 0.003°
• Cell volume: 1764.54 ± 0.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0348
• Residual factor for significantly intense reflections: 0.0311
• Weighted residual factors for significantly intense reflections: 0.0644
• Weighted residual factors for all reflections included in the refinement: 0.0668
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No