Information card for entry 7029716

Structure parameters

• Formula: C39 H46 N2 Ni P4
• Calculated formula: C39 H46 N2 Ni P4
• SMILES: c1c2n([P]([Ni]([P](n3c(ccc3)C2)(c2ccccc2)c2ccccc2)([P](C)(C)C)[P](C)(C)C)(c2ccccc2)c2ccccc2)cc1
• Title of publication: A new PC(sp(3))P ligand and its coordination chemistry with low-valent iron, cobalt and nickel complexes.
• Authors of publication: Zhu, Gengyu; Li, Xiaoyan; Xu, Guoqiang; Wang, Lin; Sun, Hongjian
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 23
• Pages of publication: 8595 - 8598
• a: 19.893 ± 0.008 Å
• b: 10.313 ± 0.004 Å
• c: 18.369 ± 0.008 Å
• α: 90°
• β: 99.993 ± 0.007°
• γ: 90°
• Cell volume: 3711 ± 3 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 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: 0.077
• Residual factor for significantly intense reflections: 0.0435
• Weighted residual factors for significantly intense reflections: 0.0946
• Weighted residual factors for all reflections included in the refinement: 0.1107
• Goodness-of-fit parameter for all reflections included in the refinement: 0.988
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No