Information card for entry 7035308

Structure parameters

• Formula: C116 H130 N48 Ni8 O29 W4
• Calculated formula: C116 H108 N48 Ni8 O29 W4
• Title of publication: New topology of CN-bridged clusters: dodecanuclear face-sharing defective cubes based on octacyanometallates(iv) and nickel(ii) with diimine ligands.
• Authors of publication: Nowicka, Beata; Näther, Christian; Halemba, Alexandra; Reczyński, Mateusz; Sieklucka, Barbara
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 28
• Pages of publication: 12780 - 12787
• a: 13.6083 ± 0.0003 Å
• b: 20.4045 ± 0.0003 Å
• c: 28.7109 ± 0.0005 Å
• α: 90°
• β: 102.426 ± 0.001°
• γ: 90°
• Cell volume: 7785.4 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0748
• Residual factor for significantly intense reflections: 0.0499
• Weighted residual factors for significantly intense reflections: 0.106
• Weighted residual factors for all reflections included in the refinement: 0.1151
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No