Information card for entry 7111660

Structure parameters

• Formula: C54 H57 Cl2 N30 Ni4 O21.5
• Calculated formula: C54 H42 Cl2 N30 Ni4 O21.5
• 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: 41.051 ± 0.009 Å
• b: 9.569 ± 0.002 Å
• c: 19.109 ± 0.004 Å
• α: 90°
• β: 115.296 ± 0.003°
• γ: 90°
• Cell volume: 6787 ± 3 ų
• Cell temperature: 138 ± 2 K
• Ambient diffraction temperature: 138 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1149
• Residual factor for significantly intense reflections: 0.0907
• Weighted residual factors for significantly intense reflections: 0.2153
• Weighted residual factors for all reflections included in the refinement: 0.2352
• Goodness-of-fit parameter for all reflections included in the refinement: 1.144
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No