Information card for entry 7703757

Structure parameters

• Formula: C39 H38 Fe N3 P
• Calculated formula: C39 H38 Fe N3 P
• SMILES: [Fe]12345678([c]9(P(c%10ccccc%10)c%10ccccc%10)[cH]1[cH]2[cH]3[cH]49)[c]1([cH]5[cH]6[cH]7[cH]81)N/C(=N/c1c(cccc1C)C)Nc1c(cccc1C)C
• 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: 10.1594 ± 0.0005 Å
• b: 12.8169 ± 0.0006 Å
• c: 14.6022 ± 0.0011 Å
• α: 115.562 ± 0.002°
• β: 96.014 ± 0.002°
• γ: 106.604 ± 0.002°
• Cell volume: 1585.52 ± 0.17 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0351
• Residual factor for significantly intense reflections: 0.0299
• Weighted residual factors for significantly intense reflections: 0.0717
• Weighted residual factors for all reflections included in the refinement: 0.0743
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No