Information card for entry 4060072

Structure parameters

• Formula: C84 H148 Ni4 O8 P4
• Calculated formula: C84 H148 Ni4 O8 P4
• SMILES: C1CC2O[Ni]1([P](C1CCCCC1)(C1CCCCC1)C1CCCCC1)[O]=C1CC[Ni](O1)([O]=C1CC[Ni](O1)([O]=C1CC[Ni]([O]=2)(O1)[P](C1CCCCC1)(C1CCCCC1)C1CCCCC1)[P](C1CCCCC1)(C1CCCCC1)C1CCCCC1)[P](C1CCCCC1)(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: 18.7303 ± 0.0004 Å
• b: 18.7303 ± 0.0004 Å
• c: 12.5854 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4415.26 ± 0.15 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: 0.0594
• Residual factor for significantly intense reflections: 0.0482
• Weighted residual factors for significantly intense reflections: 0.1358
• Weighted residual factors for all reflections included in the refinement: 0.1441
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No