Information card for entry 4516047

Structure parameters

• Formula: C44 H46 Cl2 N6 Pt
• Calculated formula: C44 H46 Cl2 N6 Pt
• SMILES: [Pt](Cl)(Cl)([N](=C(Nc1ccccc1C)Nc1ccccc1C)c1ccccc1C)[N](=C(Nc1ccccc1C)Nc1ccccc1C)c1ccccc1C
• Title of publication: Critical Role of Anions in Platinum(II) Precursors upon the Structural Motifs of Six-Membered Cycloplatinated <i>N</i>,<i>N</i>',<i>N</i>″-Triarylguanidines.
• Authors of publication: Mishra, Vishwesh; Thirupathi, Natesan
• Journal of publication: ACS omega
• Year of publication: 2018
• Journal volume: 3
• Journal issue: 6
• Pages of publication: 6075 - 6090
• a: 11.2411 ± 0.001 Å
• b: 13.8079 ± 0.0013 Å
• c: 14.6138 ± 0.0014 Å
• α: 90.265 ± 0.005°
• β: 106.81 ± 0.004°
• γ: 109.349 ± 0.004°
• Cell volume: 2036 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0863
• Residual factor for significantly intense reflections: 0.0569
• Weighted residual factors for significantly intense reflections: 0.1382
• Weighted residual factors for all reflections included in the refinement: 0.1574
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No