Information card for entry 4060071

Structure parameters

• Formula: C24 H52 Ni4 O8 P4
• Calculated formula: C24 H52 Ni4 O8 P4
• SMILES: C1[Ni]2([P](C)(C)C)[O](C(=O)C1)[Ni]1(CCC(=O)[O]1[Ni]1(CCC(=O)[O]1[Ni]1(CCC(=O)[O]21)[P](C)(C)C)[P](C)(C)C)[P](C)(C)C
• 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: 18.9491 ± 0.0005 Å
• b: 18.9491 ± 0.0005 Å
• c: 18.9491 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6804 ± 0.3 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 2 K
• Number of distinct elements: 5
• Space group number: 218
• Hermann-Mauguin space group symbol: P -4 3 n
• Hall space group symbol: P -4n 2 3
• Residual factor for all reflections: 0.0543
• Residual factor for significantly intense reflections: 0.0414
• Weighted residual factors for significantly intense reflections: 0.0982
• Weighted residual factors for all reflections included in the refinement: 0.104
• Goodness-of-fit parameter for all reflections included in the refinement: 1.106
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No