Information card for entry 7703756

Structure parameters

• Formula: C29 H34 Cl F6 Fe N3 P Pd Sb
• Calculated formula: C29 H34 Cl F6 Fe N3 P Pd Sb
• SMILES: [Pd]12([Fe]3456789%10([c]%11([P]1(c1ccccc1)c1ccccc1)[cH]4[cH]5[cH]6[cH]7%11)[c]1([cH]3[cH]%10[cH]9[cH]81)[N]2=C(NC(C)C)NC(C)C)Cl.[Sb](F)(F)(F)(F)([F-])F
• 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: 16.6294 ± 0.0003 Å
• b: 10.307 ± 0.0002 Å
• c: 20.8488 ± 0.0004 Å
• α: 90°
• β: 105.72 ± 0.001°
• γ: 90°
• Cell volume: 3439.81 ± 0.11 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 9
• 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: 0.0244
• Residual factor for significantly intense reflections: 0.0222
• Weighted residual factors for significantly intense reflections: 0.0539
• Weighted residual factors for all reflections included in the refinement: 0.0549
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No