Information card for entry 7245559

Structure parameters

• Formula: B4 H16 N2 O11
• Calculated formula: B4 H16 N2 O11
• SMILES: O1[B]2(OB(O[B](OB1O)(O2)O)O)O.O.O.[NH4+].[NH4+]
• Title of publication: Lanthanide(iii)-oxamato complexes containing Nd3+ and Ho3+: crystal structures, magnetic properties, and ab initio calculations
• Authors of publication: Vaz, Raphael C. A.; Esteves, Isabela O.; Oliveira, Willian X. C.; Honorato, João; Martins, Felipe T.; da Silva Júnior, Eufrânio N.; de C. A. Valente, Daniel; Cardozo, Thiago M.; Horta, Bruno A. C.; Mariano, Davor L.; Nunes, Wallace C.; Pedroso, Emerson F.; Pereira, Cynthia L. M.
• Journal of publication: CrystEngComm
• Year of publication: 2022
• a: 7.16499 ± 0.00007 Å
• b: 10.59066 ± 0.00011 Å
• c: 7.24742 ± 0.00006 Å
• α: 90°
• β: 98.629 ± 0.0009°
• γ: 90°
• Cell volume: 543.723 ± 0.009 ų
• Cell temperature: 90.1 ± 0.6 K
• Ambient diffraction temperature: 90.1 ± 0.6 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0506
• Residual factor for significantly intense reflections: 0.0444
• Weighted residual factors for significantly intense reflections: 0.1143
• Weighted residual factors for all reflections included in the refinement: 0.1179
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No