Information card for entry 4504625

Structure parameters

• Formula: C15 H19 N2 Ni O9
• Calculated formula: C15 H19 N2 Ni O9
• Title of publication: Polythreading of Infinite 1D Chains into Different Structural Motifs: Two Poly(pseudo-rotaxane) Architectures Constructed by Concomitant Coordinative and Hydrogen Bonds
• Authors of publication: Wang, Xin-Long; Qin, Chao; Wang, En-Bo
• Journal of publication: Crystal Growth & Design
• Year of publication: 2006
• Journal volume: 6
• Journal issue: 2
• Pages of publication: 439
• a: 19.92 ± 0.004 Å
• b: 11.256 ± 0.002 Å
• c: 15.487 ± 0.003 Å
• α: 90°
• β: 94.77 ± 0.03°
• γ: 90°
• Cell volume: 3460.5 ± 1.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0662
• Residual factor for significantly intense reflections: 0.0546
• Weighted residual factors for significantly intense reflections: 0.1318
• Weighted residual factors for all reflections included in the refinement: 0.138
• 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