Information card for entry 7025666

Structure parameters

• Formula: C38 H26 N6 Ni2 O18
• Calculated formula: C38 H26 N6 Ni2 O18
• Title of publication: Multi-dimensional transition-metal coordination polymers with 5-nitro-1,2,3-benzenetricarboxylic acid exhibiting ferro-/antiferromagnetic interactions.
• Authors of publication: Ma, Lu-Fang; Meng, Qing-Lei; Wang, Li-Ya; Liu, Bin; Liang, Fu-Pei
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 35
• Pages of publication: 8210 - 8218
• a: 10.345 ± 0.002 Å
• b: 22.698 ± 0.004 Å
• c: 16.105 ± 0.003 Å
• α: 90°
• β: 94.177 ± 0.002°
• γ: 90°
• Cell volume: 3771.6 ± 1.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0547
• Residual factor for significantly intense reflections: 0.0426
• Weighted residual factors for significantly intense reflections: 0.1195
• Weighted residual factors for all reflections included in the refinement: 0.1358
• Goodness-of-fit parameter for all reflections included in the refinement: 1.089
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No