Information card for entry 2236716

Structure parameters

• Chemical name: <i>catena</i>-Poly[[[{1-[(<i>E</i>)-phenyl(pyridin-2-yl- κ<i>N</i>)methylidene]semicarbazidato-κ^2^<i>N</i>^1^,<i>O</i>}copper(II)]- μ-dicyanamido-κ^2^<i>N</i>^1^:<i>N</i>^5^] monohydrate]
• Formula: C15 H13 Cu N7 O2
• Calculated formula: C15 H13 Cu N7 O2
• Title of publication: <i>catena</i>-Poly[[[{1-[(<i>E</i>)-phenyl(pyridin-2-yl-κ<i>N</i>)methylidene]semicarbazidato-κ^2^<i>N</i>^1^,<i>O</i>}copper(II)]-μ-dicyanamido-κ^2^<i>N</i>^1^:<i>N</i>^5^] monohydrate]
• Authors of publication: Kunnath, Roji J.; Prathapachandra Kurup, M.R.; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 9
• Pages of publication: m1176
• a: 12.3996 ± 0.0002 Å
• b: 21.0115 ± 0.0004 Å
• c: 26.7059 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6957.8 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0933
• Residual factor for significantly intense reflections: 0.0497
• Weighted residual factors for significantly intense reflections: 0.1263
• Weighted residual factors for all reflections included in the refinement: 0.1664
• Goodness-of-fit parameter for all reflections included in the refinement: 1.121
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes