Information card for entry 7111538

Structure parameters

• Formula: C20 H30 N14 Ni3 O15
• Calculated formula: C20 H28 N14 Ni3 O15
• Title of publication: Solvent-modulated metamagnetism in a nickel(ii) coordination polymer with mixed azide and carboxylate bridges
• Authors of publication: Sun, Wei-Wei; Tian, Chun-Yan; Jing, Xue-Hui; Wang, Yan-Qin; Gao, En-Qing
• Journal of publication: Chemical Communications
• Year of publication: 2009
• Journal issue: 31
• Pages of publication: 4741 - 4743
• a: 8.314 ± 0.004 Å
• b: 10.051 ± 0.005 Å
• c: 11.219 ± 0.006 Å
• α: 73.25 ± 0.006°
• β: 89.956 ± 0.007°
• γ: 67.338 ± 0.006°
• Cell volume: 821.9 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0427
• Residual factor for significantly intense reflections: 0.0343
• Weighted residual factors for significantly intense reflections: 0.0887
• Weighted residual factors for all reflections included in the refinement: 0.0937
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No