Information card for entry 7062734

Structure parameters

• Formula: C44 H35 Fe N2 O3 P Pt
• Calculated formula: C42 H31 Fe N2 O2 P Pt
• SMILES: [Pt]12(=C3N(c4c(N3c3ccccc3)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
• 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: 24.4792 ± 0.001 Å
• b: 11.24 ± 0.0005 Å
• c: 26.6119 ± 0.0012 Å
• α: 90°
• β: 102.805 ± 0.001°
• γ: 90°
• Cell volume: 7140.1 ± 0.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0179
• Residual factor for significantly intense reflections: 0.0158
• Weighted residual factors for significantly intense reflections: 0.0356
• Weighted residual factors for all reflections included in the refinement: 0.0363
• Goodness-of-fit parameter for all reflections included in the refinement: 1.086
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No