Information card for entry 7015969

Structure parameters

• Formula: C40 H46 Co2 P4
• Calculated formula: C40 H46 Co2 P4
• SMILES: C[P](C)(C)[Co]12345[P](c6ccccc6)(c6ccccc6)[c]67[Co]89%10([P](c%11ccccc%11)([c]%112[cH]4[cH]1[cH]5[cH]3%11)c1ccccc1)([P](C)(C)C)[cH]([cH]68)[cH]%10[cH]79
• Title of publication: Synthesis, structure and DFT study of dinuclear iron, cobalt and nickel complexes with cyclopentadienyl-metal moieties.
• Authors of publication: Liu, Nazhen; Li, Xiaoyan; Xu, Xiaofeng; Wang, Zhiping; Sun, Hongjian
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 26
• Pages of publication: 6886 - 6892
• a: 12.649 ± 0.011 Å
• b: 17.258 ± 0.015 Å
• c: 18.33 ± 0.015 Å
• α: 90°
• β: 103.868 ± 0.014°
• γ: 90°
• Cell volume: 3885 ± 6 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0905
• Residual factor for significantly intense reflections: 0.0637
• Weighted residual factors for significantly intense reflections: 0.169
• Weighted residual factors for all reflections included in the refinement: 0.1841
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No