Information card for entry 7026911

Structure parameters

• Formula: C48 H36 N4 Ni2 O14.2 S4
• Calculated formula: C48 H36 N4 Ni2 O14.2 S4
• Title of publication: Unique 3D self-penetrating Co(II) and Ni(II) coordination frameworks with a new (4(4).6(10).8) network topology.
• Authors of publication: Li, Dong-Sheng; Fu, Feng; Zhao, Jun; Wu, Ya-Pan; Du, Miao; Zou, Kun; Dong, Wen-Wen; Wang, Yao-Yu
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 48
• Pages of publication: 11522 - 11525
• a: 11.4666 ± 0.001 Å
• b: 39.891 ± 0.003 Å
• c: 43.067 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 19699 ± 3 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 6
• Space group number: 70
• Hermann-Mauguin space group symbol: F d d d :2
• Hall space group symbol: -F 2uv 2vw
• Residual factor for all reflections: 0.1151
• Residual factor for significantly intense reflections: 0.0708
• Weighted residual factors for significantly intense reflections: 0.173
• Weighted residual factors for all reflections included in the refinement: 0.1884
• Goodness-of-fit parameter for all reflections included in the refinement: 0.811
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No