Information card for entry 1563892

Structure parameters

• Formula: C18 H54 N12 O12 P3 Sm
• Calculated formula: C18 H54 N12 O12 P3 Sm
• Title of publication: Structural model for intrinsic mechanoluminescence of Sm(III) complex
• Authors of publication: Bukvetskii, B.V.; Mirochnik, A.G.; Zhikhareva, P.A.
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2018
• Journal volume: 483
• Pages of publication: 565 - 570
• a: 16.0888 ± 0.0005 Å
• b: 11.0908 ± 0.0004 Å
• c: 20.9833 ± 0.0007 Å
• α: 90°
• β: 93.213 ± 0.002°
• γ: 90°
• Cell volume: 3738.3 ± 0.2 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0211
• Residual factor for significantly intense reflections: 0.0201
• Weighted residual factors for significantly intense reflections: 0.0461
• Weighted residual factors for all reflections included in the refinement: 0.0465
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No