Information card for entry 4309774

Structure parameters

• Formula: C36 H25 N12 Ni3 O12
• Calculated formula: C36 H24 N12 Ni3 O12
• Title of publication: Novel 3-D Framework Nickel(II) Complex with Azide, Nicotinic Acid, and Nicotinate(1-) as Coligands: Hydrothermal Synthesis, Structure, and Magnetic Properties
• Authors of publication: Fu-Chen Liu; Yong-Fei Zeng; Jian-Rong Li; Xian-He Bu; Hong-Jie Zhang; Joan Ribas
• Journal of publication: Inorganic Chemistry
• Year of publication: 2005
• Journal volume: 44
• Pages of publication: 7298 - 7300
• a: 8.6311 ± 0.0011 Å
• b: 11.3015 ± 0.0014 Å
• c: 11.9468 ± 0.0015 Å
• α: 112.066 ± 0.002°
• β: 100.134 ± 0.002°
• γ: 108.468 ± 0.002°
• Cell volume: 965 ± 0.2 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: 0.0437
• Residual factor for significantly intense reflections: 0.0358
• Weighted residual factors for significantly intense reflections: 0.1024
• Weighted residual factors for all reflections included in the refinement: 0.106
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No