Information card for entry 7025225

Structure parameters

• Formula: C8 H34 B10 N6 Ni O40
• Calculated formula: C8 H34 B10 N6 Ni O20
• SMILES: B1(O)OB(O)O[B]2(O1)OB(O)OB(O)O2.[NH]12[Ni]34([NH2]CC[NH2]4)([NH2]CC[NH2]3)[NH](CC1)CC2.B1(O)OB(O)O[B]2(O1)OB(O)OB(O)O2
• Title of publication: The first ferroelectric templated borate: [Ni(en)2pip][B5O6(OH)4]2.
• Authors of publication: Pan, Chun-Yang; Hu, Sheng; Li, Da-Guang; Ouyang, Ping; Zhao, Feng-Hua; Zheng, Yu-Ying
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 25
• Pages of publication: 5772 - 5773
• a: 14.4598 ± 0.0017 Å
• b: 11.7213 ± 0.0017 Å
• c: 8.5302 ± 0.0014 Å
• α: 90°
• β: 90.875 ± 0.01°
• γ: 90°
• Cell volume: 1445.6 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0753
• Residual factor for significantly intense reflections: 0.0686
• Weighted residual factors for significantly intense reflections: 0.1947
• Weighted residual factors for all reflections included in the refinement: 0.2119
• Goodness-of-fit parameter for all reflections included in the refinement: 1.098
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No