Information card for entry 2202712

Structure parameters

• Chemical name: catena-Poly[[[di-μ-chloro-bis[(5-nitro-1,10-phenanthroline)copper(II)]]- μ-terephthalato] bis(N,N'-dimethylformamide)]
• Formula: C36 H32 Cl2 Cu2 N8 O10
• Calculated formula: C38 H32 Cl2 Cu2 N8 O10
• SMILES: [Cu]12([n]3c4c(cc(N(=O)=O)c5ccc[n]2c45)ccc3)([Cl][Cu]2([n]3cccc4cc(N(=O)=O)c5ccc[n]2c5c34)([Cl]1)OC(=O)c1ccc(cc1)C(=O)O[Cu]12([n]3cccc4cc(N(=O)=O)c5ccc[n]1c5c34)[Cl][Cu]1([n]3cccc4cc(N(=O)=O)c5ccc[n]1c5c34)[Cl]2)OC(=O)c1ccc(cc1)C(=O)[O-].O=CN(C)C.O=CN(C)C.O=CN(C)C.O=CN(C)C
• Title of publication: <i>catena</i>-Poly[[[di-μ-chloro-bis[(5-nitro-1,10-phenanthroline)copper(II)]]-μ-terephthalato] bis(<i>N,N</i>'-dimethylformamide)]
• Authors of publication: Xiao, Hong-Ping; Zhu, Long-Guan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 11
• Pages of publication: m964 - m966
• a: 9.4185 ± 0.0011 Å
• b: 10.203 ± 0.0012 Å
• c: 12.3617 ± 0.0015 Å
• α: 106.223 ± 0.002°
• β: 93.856 ± 0.002°
• γ: 116.698 ± 0.002°
• Cell volume: 993 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.062
• Residual factor for significantly intense reflections: 0.0493
• Weighted residual factors for significantly intense reflections: 0.1187
• Weighted residual factors for all reflections included in the refinement: 0.1244
• Goodness-of-fit parameter for all reflections included in the refinement: 0.961
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes