Information card for entry 7019377

Structure parameters

• Formula: C18 H24 N4 Ni O24 Pr2 S2
• Calculated formula: C18 H24 N4 Ni O24 Pr2 S2
• Title of publication: Hydrothermal synthesis, crystal structure and properties of Ni(ii)-4f complexes based on 1H-benzimidazole-5,6-dicarboxylic acid.
• Authors of publication: Sun, Ya-Guang; Xiong, Gang; Guo, Mei-Yan; Ding, Fu; Wang, Shu-Ju; Smet, Philippe F.; Poelman, Dirk; Gao, En-Jun; Verpoort, Francis
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 25
• Pages of publication: 7670 - 7680
• a: 22.656 ± 0.007 Å
• b: 8.645 ± 0.002 Å
• c: 15.634 ± 0.004 Å
• α: 90°
• β: 102.471 ± 0.006°
• γ: 90°
• Cell volume: 2989.8 ± 1.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• 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: 0.0281
• Residual factor for significantly intense reflections: 0.0246
• Weighted residual factors for significantly intense reflections: 0.063
• Weighted residual factors for all reflections included in the refinement: 0.064
• Goodness-of-fit parameter for all reflections included in the refinement: 0.997
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No