Information card for entry 7015426

Structure parameters

• Formula: C29 H31 N4 Ni2.5 O13
• Calculated formula: C29 H31 N4 Ni2.5 O13
• Title of publication: Coordination polymers of macrocyclic oxamide with 1,3,5-benzenetricarboxylate: syntheses, crystal structures and magnetic properties.
• Authors of publication: Sun, Ya-Qiu; Gao, Dong-Zhao; Xu, Yan-Yan; Zhang, Guo-Ying; Fan, Lan-Lan; Li, Cheng-Peng; Hu, Tong-Liang; Liao, Dai-Zheng; Zhang, Chen-Xi
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 20
• Pages of publication: 5528 - 5537
• a: 9.7772 ± 0.0006 Å
• b: 12.0096 ± 0.0007 Å
• c: 14.0441 ± 0.0009 Å
• α: 88.669 ± 0.001°
• β: 82.844 ± 0.001°
• γ: 71.658 ± 0.001°
• Cell volume: 1552.87 ± 0.17 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0452
• Residual factor for significantly intense reflections: 0.0335
• Weighted residual factors for significantly intense reflections: 0.0758
• Weighted residual factors for all reflections included in the refinement: 0.0819
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No