Information card for entry 2016465

Structure parameters

• Chemical name: catena-Poly[[[<i>N</i>-benzoyl-<i>N</i>'-(2-hydroxyethyl)-\ <i>N</i>''-(2-pyridyl)guanidine]chloridocopper(II)] chloride monohydrate]
• Formula: C15 H17.22 Cl2 Cu N4 O2.61
• Calculated formula: C15 H16 Cl2 Cu N4 O2.61
• Title of publication: <i>catena</i>-Poly[[[1-benzoyl-2-(2-hydroxyethyl)-3-(2-pyridyl)guanidine]chloridocopper(II)] chloride 0.61-hydrate]
• Authors of publication: Sabino, Jose R.; Cunha, Silvio; Souza, Aparecido R.; Quintino, Michelle P.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 2
• Pages of publication: m94 - m96
• a: 27.022 ± 0.003 Å
• b: 9.114 ± 0.001 Å
• c: 17.005 ± 0.003 Å
• α: 90°
• β: 118.116 ± 0.01°
• γ: 90°
• Cell volume: 3693.8 ± 0.9 ų
• Cell temperature: 297 ± 2 K
• Number of distinct elements: 6
• 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: 0.0537
• Residual factor for significantly intense reflections: 0.0476
• Weighted residual factors for significantly intense reflections: 0.1336
• Weighted residual factors for all reflections included in the refinement: 0.1384
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes