Information card for entry 7111662

Structure parameters

• Formula: C144 H176 N96 Ni16 O96
• Calculated formula: C144 H112 N83 Ni16 O40
• Title of publication: Unexpected Ni(ii) and Cu(ii) polynuclear assemblies—a balance between ligand and metal ion coordination preferences
• Authors of publication: Shuvaev, Kontantin V.; Tandon, Santokh S.; Dawe, Louise N.; Thompson, Laurence K.
• Journal of publication: Chemical Communications
• Year of publication: 2010
• Journal volume: 46
• Journal issue: 26
• Pages of publication: 4755 - 4757
• a: 19.483 ± 0.006 Å
• b: 24.701 ± 0.008 Å
• c: 26.51 ± 0.009 Å
• α: 111.723 ± 0.006°
• β: 94.468 ± 0.006°
• γ: 97.249 ± 0.007°
• Cell volume: 11649 ± 7 ų
• Cell temperature: 128 ± 2 K
• Ambient diffraction temperature: 128 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1609
• Residual factor for significantly intense reflections: 0.1299
• Weighted residual factors for significantly intense reflections: 0.3304
• Weighted residual factors for all reflections included in the refinement: 0.3785
• Goodness-of-fit parameter for all reflections included in the refinement: 1.119
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No