Information card for entry 7029715

Structure parameters

• Formula: C39 H45 Co N2 P4
• Calculated formula: C39 H45 Co N2 P4
• SMILES: C[P]([Co]12([P](c3ccccc3)(n3c(C2c2n([P]1(c1ccccc1)c1ccccc1)ccc2)ccc3)c1ccccc1)[P](C)(C)C)(C)C
• 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: 19.854 ± 0.004 Å
• b: 10.268 ± 0.002 Å
• c: 17.816 ± 0.004 Å
• α: 90°
• β: 99.49 ± 0.03°
• γ: 90°
• Cell volume: 3582.3 ± 1.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0548
• Residual factor for significantly intense reflections: 0.0381
• Weighted residual factors for significantly intense reflections: 0.0878
• Weighted residual factors for all reflections included in the refinement: 0.097
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No