Information card for entry 4343026

Structure parameters

• Formula: C76 H110 N14 Ni4 O16
• Calculated formula: C76 H98 N14 Ni4 O16
• Title of publication: Direct C-N Coupling in an in Situ Ligand Transformation and the Self-Assembly of a Tetrametallic [Ni(II)4] Staircase.
• Authors of publication: Ghosh, Aloke Kumar; Singha Mahapatra, Tufan; Clérac, Rodolphe; Mathonière, Corine; Bertolasi, Valerio; Ray, Debashis
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 11
• Pages of publication: 5136 - 5138
• a: 12.342 ± 0.003 Å
• b: 13.667 ± 0.003 Å
• c: 24.784 ± 0.005 Å
• α: 90°
• β: 90.776 ± 0.006°
• γ: 90°
• Cell volume: 4180.1 ± 1.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1653
• Residual factor for significantly intense reflections: 0.087
• Weighted residual factors for significantly intense reflections: 0.2247
• Weighted residual factors for all reflections included in the refinement: 0.2929
• Goodness-of-fit parameter for all reflections included in the refinement: 0.984
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No