Information card for entry 7061103

Structure parameters

• Formula: C39 H54 Cl2 N3 O2 P Pt
• Calculated formula: C39 H54 Cl2 N3 O2 P Pt
• SMILES: [Pt]12(Cl)([P](c3c([N]1=C(NC(C)C)NC(C)C)cccc3)(c1ccccc1)c1ccccc1)[CH]1=[CH]2CCC=CCC1.[Cl-].O=C(C)C.O=C(C)C
• Title of publication: Coordination behaviour of a hybrid phosphinoguanidine ligand
• Authors of publication: Leitner, Zdeněk; Císařová, Ivana; Štěpnička, Petr
• Journal of publication: New Journal of Chemistry
• Year of publication: 2022
• Journal volume: 46
• Journal issue: 3
• Pages of publication: 1060 - 1071
• a: 10.7829 ± 0.0005 Å
• b: 27.7176 ± 0.0016 Å
• c: 13.6704 ± 0.0007 Å
• α: 90°
• β: 94.11 ± 0.002°
• γ: 90°
• Cell volume: 4075.2 ± 0.4 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0319
• Residual factor for significantly intense reflections: 0.0233
• Weighted residual factors for significantly intense reflections: 0.051
• Weighted residual factors for all reflections included in the refinement: 0.0536
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No