Information card for entry 4001102

Structure parameters

• Formula: C27 H100.5 F4.5 Ge21 N15 Ni2 O51.5
• Calculated formula: C27 H60 F4.758 Ge21 N15 Ni2 O51.798
• Title of publication: [Ni(1,2-PDA)3]2(HOCH2CH2CH2NH3)3(H3O)2[Ge7O14X3]3(X= F, OH): A New 1D Germanate with 12-Ring Hexagonal Tubular Channels
• Authors of publication: Pan, Qinhe; Li, Jiyang; Ren, Xiaoyan; Wang, Zhuopeng; Li, Guanghua; Yu, Jihong; Xu, Ruren
• Journal of publication: Chemistry of Materials
• Year of publication: 2008
• Journal volume: 20
• Journal issue: 2
• Pages of publication: 370
• a: 18.8 ± 0.003 Å
• b: 18.8 ± 0.003 Å
• c: 14.147 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 4330.2 ± 1.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 176
• Hermann-Mauguin space group symbol: P 63/m
• Hall space group symbol: -P 6c
• Residual factor for all reflections: 0.058
• Residual factor for significantly intense reflections: 0.0459
• Weighted residual factors for significantly intense reflections: 0.1167
• Weighted residual factors for all reflections included in the refinement: 0.1228
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No