Information card for entry 4321789

Structure parameters

• Chemical name: {[Cu(CH2(C6H4-4-NH2)2)(CH2(COOH)2)Cl]Cl}2
• Formula: C16 H18 Cl2 Cu N2 O4
• Calculated formula: C16 H18 Cl2 Cu N2 O4
• SMILES: [Cu]1(Cl)([O]=C(O)CC(=[O]1)O)[NH2]c1ccc(cc1)Cc1ccc(N)cc1.[Cl-]
• Title of publication: New Maze-Type Network Assembled by Copper(II) and 4,4'-Diaminodiphenylmethane: {[Cu(C13H14N2)(C3H4O4)Cl]Cl}2
• Authors of publication: Yugen Zhang; Masayoshi Nishiura; Li Jianmin; Deng Wei; Tsuneo Imamoto
• Journal of publication: Inorganic Chemistry
• Year of publication: 1999
• Journal volume: 38
• Pages of publication: 825 - 827
• a: 9.834 ± 0.002 Å
• b: 11.871 ± 0.005 Å
• c: 15.368 ± 0.008 Å
• α: 90°
• β: 106.833 ± 0.003°
• γ: 90°
• Cell volume: 1717.2 ± 1.2 ų
• Cell temperature: 298 ± 1 K
• Ambient diffraction temperature: 293 ± 1 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.089
• Residual factor for significantly intense reflections: 0.089
• Weighted residual factors for all reflections: 0.125
• Weighted residual factors for significantly intense reflections: 0.125
• Goodness-of-fit parameter for significantly intense reflections: 5.26
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No