Information card for entry 2014425

Structure parameters

• Chemical name: Poly[[μ~2~-aqua-bis[(1,10-phenanthroline)copper(II)]-di-μ~2~,μ~4~-5-nitro- 1,3-benzenedicarboxylato]
• Formula: C40 H24 N6 Ni2 O13
• Calculated formula: C40 H24 N6 Ni2 O13
• Title of publication: Poly[[μ~2~-aqua-bis[(1,10-phenanthroline)nickel(II)]]-di-μ~2~,μ~4~-5-nitro-1,3-benzenedicarboxylato]
• Authors of publication: He, Hong-Yin; Zhou, Yi-Li; Zhu, Long-Guan
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 11
• Pages of publication: m569 - m571
• a: 29.5645 ± 0.0013 Å
• b: 18.0613 ± 0.0007 Å
• c: 6.5961 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3522.1 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 52
• Hermann-Mauguin space group symbol: P n n a
• Hall space group symbol: -P 2a 2bc
• Residual factor for all reflections: 0.0526
• Residual factor for significantly intense reflections: 0.0484
• Weighted residual factors for significantly intense reflections: 0.1051
• Weighted residual factors for all reflections included in the refinement: 0.1075
• Goodness-of-fit parameter for all reflections included in the refinement: 1.151
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No