Information card for entry 7703753

Structure parameters

• Formula: C35 H42 Cl2 Fe N3 P Pd
• Calculated formula: C35 H42 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(NC1CCCCC1)NC1CCCCC1)(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: 11.7326 ± 0.0006 Å
• b: 11.979 ± 0.0006 Å
• c: 12.1754 ± 0.0006 Å
• α: 84.599 ± 0.001°
• β: 75.101 ± 0.001°
• γ: 81.174 ± 0.002°
• Cell volume: 1631.4 ± 0.14 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0213
• Residual factor for significantly intense reflections: 0.0195
• Weighted residual factors for significantly intense reflections: 0.0467
• Weighted residual factors for all reflections included in the refinement: 0.0477
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No