Information card for entry 4308429

Structure parameters

• Common name: [Ni2(o-xyl-DMC2)(CO3)](ClO4)2(C2H5)2O(CH3)2CO
• Formula: C73 H140 Cl4 N16 Ni4 O24
• Calculated formula: C36.5 H70 Cl2 N8 Ni2 O11.97
• Title of publication: Studies of Bicarbonate Binding by Dinuclear and Mononuclear Ni(II) Complexes
• Authors of publication: Newell, Rachel; Appel, Aaron; DuBois, D. L.; Rakowski DuBois, Mary
• Journal of publication: Inorganic Chemistry
• Year of publication: 2005
• Journal volume: 44
• Journal issue: 2
• Pages of publication: 365 - 373
• a: 8.4384 ± 0.0004 Å
• b: 12.2522 ± 0.0007 Å
• c: 22.1306 ± 0.0011 Å
• α: 80.526 ± 0.001°
• β: 79.922 ± 0.001°
• γ: 83.177 ± 0.001°
• Cell volume: 2212.5 ± 0.2 ų
• Cell temperature: 143 ± 2 K
• Ambient diffraction temperature: 143 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1121
• Residual factor for significantly intense reflections: 0.0729
• Weighted residual factors for significantly intense reflections: 0.1829
• Weighted residual factors for all reflections included in the refinement: 0.2034
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No