Information card for entry 4309084

Structure parameters

• Formula: C22 H30 Cl Cu2 N4 Na3 O21
• Calculated formula: C22 H30 Cl Cu2 N4 Na3 O21
• SMILES: [Cu]123([n]4ccc(cc4)c4cc[n]([Cu]567[N](CC(=O)O6)(CC(=O)O7)CC(=O)O5)cc4)[N](CC(=O)O1)(CC(=O)O2)CC(=O)O3.[O-]Cl(=O)(=O)=O.[Na+].[Na+].[Na+].O.O.O.O.O
• Title of publication: 3D Coordination Polymers with Nitrilotriacetic and 4,4'-Bipyridyl Mixed Ligands: Structural Variation Based on Dinuclear or Tetranuclear Subunits Assisted by Na-O and/or O-H...O Interactions
• Authors of publication: Xing-Qiang Lü; Ji-Jun Jiang; Chun-Long Chen; Bei-Sheng Kang; Cheng-Yong Su
• Journal of publication: Inorganic Chemistry
• Year of publication: 2005
• Journal volume: 44
• Pages of publication: 4515 - 4521
• a: 33.048 ± 0.005 Å
• b: 9.4327 ± 0.0013 Å
• c: 24.01 ± 0.003 Å
• α: 90°
• β: 112.513 ± 0.002°
• γ: 90°
• Cell volume: 6914.3 ± 1.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• 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: 0.0539
• Residual factor for significantly intense reflections: 0.0436
• Weighted residual factors for significantly intense reflections: 0.1172
• Weighted residual factors for all reflections included in the refinement: 0.1234
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No