Information card for entry 4060070

Structure parameters

• Formula: C68 H76 Ni4 O8 P4
• Calculated formula: C68 H76 Ni4 O8 P4
• SMILES: C1CC2=[O][Ni]1([P](CC)(c1ccccc1)c1ccccc1)OC1CC[Ni]([O]=1)(OC1CC[Ni]([O]=1)(OC1CC[Ni](O2)([O]=1)[P](CC)(c1ccccc1)c1ccccc1)[P](CC)(c1ccccc1)c1ccccc1)[P](CC)(c1ccccc1)c1ccccc1
• Title of publication: Organometallic Nickelamacrocycles of the Type [(R2R'P)Ni(C2H4COO)]n: Synthesis and Self-Assembly to Form Different Molecular Architectures Tuned by the Phosphine
• Authors of publication: Jens Langer; Helmar Görls; Reinald Fischer; Dirk Walther
• Journal of publication: Organometallics
• Year of publication: 2005
• Journal volume: 24
• Pages of publication: 272 - 279
• a: 17.379 ± 0.0012 Å
• b: 17.379 ± 0.0012 Å
• c: 10.6941 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3229.9 ± 0.4 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 2 K
• Number of distinct elements: 5
• Space group number: 82
• Hermann-Mauguin space group symbol: I -4
• Hall space group symbol: I -4
• Residual factor for all reflections: 0.0682
• Residual factor for significantly intense reflections: 0.0439
• Weighted residual factors for significantly intense reflections: 0.0772
• Weighted residual factors for all reflections included in the refinement: 0.0857
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No