Information card for entry 7011180

Structure parameters

• Formula: C16 H17 Cl Cu N5 O4
• Calculated formula: C16 H17 Cl Cu N5 O4
• Title of publication: Coordination polymers of transition metal ions with polydentate imine ligands. Syntheses, materials characterization, and crystal structures of polymeric complexes of copper(I), silver(I) and zinc(II)
• Authors of publication: Goutam Kumar Patra; Israel Goldberg
• Journal of publication: J. Chem. Soc., Dalton Trans.
• Year of publication: 2002
• Journal issue: 6
• Pages of publication: 1051 - 1057
• a: 9.894 ± 0.0001 Å
• b: 21.385 ± 0.0004 Å
• c: 9.291 ± 0.0002 Å
• α: 90°
• β: 112.235 ± 0.0007°
• γ: 90°
• Cell volume: 1819.64 ± 0.06 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0531
• Residual factor for significantly intense reflections: 0.0353
• Weighted residual factors for significantly intense reflections: 0.0799
• Weighted residual factors for all reflections included in the refinement: 0.0871
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No