Information card for entry 2012580

Structure parameters

• Chemical name: poly[[aquabis(1,2-diaminoethane)copper(II)] [bis(1,2-diaminoethane)hexa-μ-cyano-tetracyanotricopper(II)dinickel(II) dihydrate]
• Formula: C18 H38 Cu4 N18 Ni2 O3
• Calculated formula: C18 H37.774 Cu4 N18 Ni2 O3
• Title of publication: Three different bonding modes of cyano groups in the coordination polymer [Cu(en)~2~(H~2~O)][Cu(en)~2~Ni~2~Cu~2~(CN)~10~]·2H~2~O (en is 1,2-diaminoethane)
• Authors of publication: Černák, Juraj; Abboud, Khalil A.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 3
• Pages of publication: m167 - m170
• a: 19.476 ± 0.002 Å
• b: 8.2737 ± 0.0004 Å
• c: 21.786 ± 0.002 Å
• α: 90°
• β: 107.583 ± 0.002°
• γ: 90°
• Cell volume: 3346.6 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.098
• Residual factor for significantly intense reflections: 0.044
• Weighted residual factors for significantly intense reflections: 0.088
• Weighted residual factors for all reflections included in the refinement: 0.108
• Goodness-of-fit parameter for all reflections included in the refinement: 0.919
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes