Information card for entry 4087788

Structure parameters

• Formula: C30 H52 Cl6 Fe N2 Pd
• Calculated formula: C30 H52 Cl6 Fe N2 Pd
• SMILES: [Pd]1([c]23[Fe]456789%10([c]2([cH]4[c]5([cH]36)C(C)(C)C)C[N]1(CC)CC)[c]1([cH]7[cH]8[c]9([cH]%101)C(C)(C)C)C[NH+](CC)CC)(Cl)Cl.ClCCl.ClCCl
• Title of publication: Converging and Diverging Synthetic Strategies to Tetradentate (N,N′)-Diaminomethyl,(P,P′)-Ferrocenyl Ligands: Influence of tert-Butyl Groups on Ferrocene Backbone Conformation
• Authors of publication: Allouch, Fatima; Dwadnia, Nejib; Vologdin, Nikolay V.; Svyaschenko, Yurii V.; Cattey, Hélène; Penouilh, Marie-José; Roger, Julien; Naoufal, Daoud; Ben Salem, Ridha; Pirio, Nadine; Hierso, Jean-Cyrille
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 20
• Pages of publication: 5015
• a: 10.1561 ± 0.0003 Å
• b: 12.1582 ± 0.0004 Å
• c: 30.4118 ± 0.001 Å
• α: 90°
• β: 106.206 ± 0.001°
• γ: 90°
• Cell volume: 3606 ± 0.2 ų
• Cell temperature: 115 K
• Ambient diffraction temperature: 115 K
• Number of distinct elements: 6
• 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: 0.078
• Residual factor for significantly intense reflections: 0.061
• Weighted residual factors for significantly intense reflections: 0.1089
• Weighted residual factors for all reflections included in the refinement: 0.1157
• Goodness-of-fit parameter for all reflections included in the refinement: 1.222
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No