Information card for entry 2219787

Structure parameters

• Chemical name: Bis[(m-phenylenedimethylene)diammonium] tetradecaborate
• Formula: C16 H34 B14 N4 O26
• Calculated formula: C16 H34 B14 N4 O26
• SMILES: [B@]123O[B@@]4(OB(O1)O)OB(OB(O4)O)OB1OB(O[B@@]4(O[B@]5(OB(O4)O)OB(OB(OB(O2)O)O3)OB(O5)O)O1)O.c1(cc(ccc1)C[NH3+])C[NH3+].c1(cc(ccc1)C[NH3+])C[NH3+]
• Title of publication: Bis[(<i>m</i>-phenylenedimethylene)diammonium] tetradecaborate
• Authors of publication: Jiang, Xiao; Wu, Shu-Li; Shao, Zhi-Dong; Liang, Yun-Xiao
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 11
• Pages of publication: o2129
• a: 9.1025 ± 0.0018 Å
• b: 10.293 ± 0.002 Å
• c: 10.942 ± 0.002 Å
• α: 109.68 ± 0.03°
• β: 108.24 ± 0.03°
• γ: 102.19 ± 0.03°
• Cell volume: 857.4 ± 0.5 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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: 0.076
• Residual factor for significantly intense reflections: 0.0351
• Weighted residual factors for significantly intense reflections: 0.0764
• Weighted residual factors for all reflections included in the refinement: 0.1275
• Goodness-of-fit parameter for all reflections included in the refinement: 1.237
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes