Information card for entry 7703755

Structure parameters

• Formula: C29 H34 Cl2 Fe N3 P Pd
• Calculated formula: C29 H34 Cl2 Fe N3 P Pd
• SMILES: [Pd]1(Cl)(Cl)[P]([c]23[Fe]456789%10([cH]2[cH]4[cH]5[cH]36)[c]2([cH]7[cH]8[cH]9[cH]%102)[N]1=C(NC(C)C)NC(C)C)(c1ccccc1)c1ccccc1
• Title of publication: Synthesis and study of Fe →Pd interactions in unsymmetric Pd(ii) complexes with phosphinoferrocene guanidine ligands.
• Authors of publication: Bárta, Ondřej; Gyepes, Róbert; Císařová, Ivana; Alemayehu, Adam; Štěpnička, Petr
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 14
• Pages of publication: 4225 - 4229
• a: 13.2176 ± 0.0005 Å
• b: 13.0451 ± 0.0004 Å
• c: 16.9643 ± 0.0007 Å
• α: 90°
• β: 98.462 ± 0.002°
• γ: 90°
• Cell volume: 2893.22 ± 0.19 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• 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: 0.0322
• Residual factor for significantly intense reflections: 0.0236
• Weighted residual factors for significantly intense reflections: 0.0524
• Weighted residual factors for all reflections included in the refinement: 0.0555
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No