Information card for entry 4316547

Structure parameters

• Common name: Ni4(alphaMeAla-Histamine)4
• Formula: C40.5 H77 N16 Ni4 O10
• Calculated formula: C40.5 H66 N16 Ni4 O10
• Title of publication: Nickel(II)-Dipeptidoamine-Based Tetrameric Complex: Structural Study in Solution and in Solid State
• Authors of publication: Katalin Selmeczi; Patrick Gizzi; Delphine Champmartin; Patrice Rubini; Emmanuel Aubert; Slimane Dahaoui; Bernard Henry
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 8222 - 8229
• a: 11.2645 ± 0.0004 Å
• b: 23.5003 ± 0.0008 Å
• c: 20.9007 ± 0.0007 Å
• α: 90°
• β: 102.321 ± 0.001°
• γ: 90°
• Cell volume: 5405.4 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.099
• Residual factor for significantly intense reflections: 0.0578
• Weighted residual factors for significantly intense reflections: 0.1483
• Weighted residual factors for all reflections included in the refinement: 0.1741
• Goodness-of-fit parameter for all reflections included in the refinement: 0.931
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No