Information card for entry 2013959

Structure parameters

• Chemical name: catena-Poly[[[1,8-bis(2-hydroxyethyl)-1,3,6,8,10,13- hexaazacyclotetradecane]copper(II)]-μ-cyano-[tricyanonitrosoiron(III)]- μ-cyano]
• Formula: C17 H30 Cu Fe N12 O3
• Calculated formula: C17 H30 Cu Fe N12 O3
• Title of publication: <i>catena</i>-Poly[[[1,8-bis(2-hydroxyethyl)-1,3,6,8,10,13-hexaazacyclotetradecane]copper(II)]-μ-cyano-[tricyanonitrosoiron(III)]-μ-cyano]
• Authors of publication: Shen, Liang; Wang, Hua-Tong; Zhang, Yi-Jian; Jin, Zhi-Min
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 4
• Pages of publication: m180 - m182
• a: 12.885 ± 0.002 Å
• b: 14.089 ± 0.002 Å
• c: 13.519 ± 0.003 Å
• α: 90°
• β: 93.35 ± 0.01°
• γ: 90°
• Cell volume: 2450 ± 0.7 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0468
• Residual factor for significantly intense reflections: 0.0316
• Weighted residual factors for significantly intense reflections: 0.072
• Weighted residual factors for all reflections included in the refinement: 0.0759
• Goodness-of-fit parameter for all reflections included in the refinement: 0.966
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes