Information card for entry 8105843

Structure parameters

• Formula: C27 H26 Cl3 N4 Nd O4
• Calculated formula: C27 H26 Cl3 N4 Nd O4
• Title of publication: Crystal structure of aqua-2,2′,2′′-(((nitrilo-κN-tris(ethane-2,1-diyl))tris(azanylylidene-κ3 N′,N′′,N′′′))tris(methanylylidene))tris(4-chlorophenolato-κ3 O,O′,O′′)neodymium(III), C27H26Cl3N4NdO4
• Authors of publication: Lee, See Mun; Lo, Kong Mun; Tiekink, Edward R.T.
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2019
• Journal volume: 234
• Journal issue: 4
• Pages of publication: 765 - 767
• a: 13.6408 ± 0.0001 Å
• b: 20.3377 ± 0.0002 Å
• c: 10.7272 ± 0.0001 Å
• α: 90°
• β: 109.896 ± 0.001°
• γ: 90°
• Cell volume: 2798.34 ± 0.05 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: 0.0342
• Residual factor for significantly intense reflections: 0.0258
• Weighted residual factors for significantly intense reflections: 0.0562
• Weighted residual factors for all reflections included in the refinement: 0.059
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No