Information card for entry 2201224

Structure parameters

• Chemical name: catena-μ-(N,N'-hexamethylenetetramine)[tetra-μ-acetatodinickel(II)]
• Formula: C14 H24 N4 Ni2 O8
• Calculated formula: C14 H24 N4 Ni2 O8
• SMILES: [Ni]1234[Ni]([O]=C(O2)C)(OC(=[O]3)C)([O]=C(O1)C)(OC(=[O]4)C)[N]12C[N]3(CN(C2)CN(C1)C3)[Ni]1234[Ni]([O]=C(O1)C)(OC(=[O]4)C)([O]=C(O2)C)(OC(=[O]3)C)[N]12CN3CN(CN(C1)C3)C2
• Title of publication: <i>catena</i>-Poly[[tetra-μ-acetatodinickel(II)]μ-<i>N,N</i>'-hexamethylenetetramine]
• Authors of publication: Wang, Shun; Hu, Mao-Lin; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 5
• Pages of publication: m242 - m244
• a: 15.48 ± 0.001 Å
• b: 15.638 ± 0.002 Å
• c: 8.048 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1948.2 ± 0.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 67
• Hermann-Mauguin space group symbol: C m m a
• Hall space group symbol: -C 2a 2
• Residual factor for all reflections: 0.042
• Residual factor for significantly intense reflections: 0.03
• Weighted residual factors for significantly intense reflections: 0.07
• Weighted residual factors for all reflections included in the refinement: 0.076
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes