Information card for entry 7062733

Structure parameters

• Formula: C38 H31 Cl2 Fe N2 O2 P Pt
• Calculated formula: C38 H31 Cl2 Fe N2 O2 P Pt
• SMILES: [Pt]12(=C3N(c4c(N3C)cccc4)c3c2cccc3)[P]([c]23[Fe]456789%10([c]%11([cH]4[cH]5[cH]6[cH]7%11)C(=O)O1)[cH]2[cH]8[cH]9[cH]3%10)(c1ccccc1)c1ccccc1.C(Cl)Cl
• Title of publication: Synthesis of Pt(ii) phosphinocarboxylate complexes with auxiliary arylcarbene ligands and factors that control their stereochemistry
• Authors of publication: Horký, Filip; Soellner, Johannes; Schulz, Jiří; Císařová, Ivana; Strassner, Thomas; Štěpnička, Petr
• Journal of publication: New Journal of Chemistry
• Year of publication: 2023
• Journal volume: 47
• Journal issue: 39
• Pages of publication: 18442 - 18449
• a: 10.9275 ± 0.0007 Å
• b: 12.1821 ± 0.0007 Å
• c: 13.5028 ± 0.0008 Å
• α: 90.484 ± 0.002°
• β: 92.307 ± 0.002°
• γ: 115.888 ± 0.002°
• Cell volume: 1615.12 ± 0.17 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.013
• Residual factor for significantly intense reflections: 0.0127
• Weighted residual factors for significantly intense reflections: 0.0306
• Weighted residual factors for all reflections included in the refinement: 0.0307
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No