Information card for entry 7105765

Structure parameters

• Common name: Gandelman-73
• Formula: C21 H27 Cl2 N3 P2 Pt
• Calculated formula: C21 H27 Cl2 N3 P2 Pt
• SMILES: [Pt]1([P](c2nn(nc2[P]1(C(C)C)C(C)C)C)(c1ccccc1)c1ccccc1)(Cl)Cl
• Title of publication: Bidentate Ligand Synthesis via N-C Rearrangement in Triazoles
• Authors of publication: Elana Slutsky Smith; Gregory Molev; Mark Botoshansky; Mark Gandelman
• Journal of publication: Chem.Commun.
• Year of publication: 2011
• Journal volume: 47
• Pages of publication: 319
• a: 39.718 ± 0.001 Å
• b: 7.781 ± 0.001 Å
• c: 16.861 ± 0.001 Å
• α: 90 ± 0.01°
• β: 111.897 ± 0.01°
• γ: 90 ± 0.01°
• Cell volume: 4834.9 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.1109
• Residual factor for significantly intense reflections: 0.0732
• Weighted residual factors for significantly intense reflections: 0.1812
• Weighted residual factors for all reflections included in the refinement: 0.2004
• Goodness-of-fit parameter for all reflections included in the refinement: 0.887
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No