Information card for entry 2018523

Structure parameters

• Chemical name: Bis(2-amino-1<i>H</i>-benzimidazol-3-ium) tetrakis(μ-but-2-enoato)- κ^4^<i>O</i>:<i>O</i>';κ^3^<i>O</i>,<i>O</i>':<i>O</i>; κ^3^<i>O</i>:<i>O</i>,<i>O</i>'-bis[bis(but-2-enoato- κ^2^<i>O</i>,<i>O</i>')holmium(III)]
• Formula: C46 H56 Ho2 N6 O16
• Calculated formula: C46 H56 Ho2 N6 O16
• SMILES: c12c([nH]c([nH+]1)N)cccc2.c12ccccc1[nH]c([nH+]2)N.C1(=[O][Ho]23456(OC(=[O]2)/C=C/C)([O]=C(/C=C/C)O[Ho]278([O]=C(/C=C/C)O2)(OC(=[O]8)/C=C/C)([O]4C(/C=C/C)=[O]6)([O]5C(/C=C/C)=[O]7)[O]=C(/C=C/C)O3)O1)/C=C/C
• Title of publication: Bis(2-amino-1<i>H</i>-benzimidazol-3-ium) tetrakis(μ-but-2-enoato)-κ^4^<i>O</i>:<i>O</i>';κ^3^<i>O</i>,<i>O</i>':<i>O</i>;κ^3^<i>O</i>:<i>O</i>,<i>O</i>'-bis[bis(but-2-enoato-κ^2^<i>O</i>,<i>O</i>')holmium(III)]
• Authors of publication: Atria, Ana María; Garland, Maria Teresa; Baggio, Ricardo
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 7
• Pages of publication: m185 - m188
• a: 14.2688 ± 0.0008 Å
• b: 15.0608 ± 0.0009 Å
• c: 15.7276 ± 0.0009 Å
• α: 66.226 ± 0.001°
• β: 63.654 ± 0.001°
• γ: 63.7 ± 0.001°
• Cell volume: 2624 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0382
• Residual factor for significantly intense reflections: 0.0293
• Weighted residual factors for significantly intense reflections: 0.0651
• Weighted residual factors for all reflections included in the refinement: 0.0696
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes