Information card for entry 4074041

Structure parameters

• Formula: C28.48 H39.19 I2 N2 O0.12 P2 Pt
• Calculated formula: C28 H38 I2 N2 P2 Pt
• SMILES: [Pt]1(I)([P]2(c3c([P]41[C@@H](CC[C@H]4C)C)cccc3)[C@@H](CC[C@H]2C)C)=C1N(C=CN1c1ccccc1)C.[I-].[I-]
• Title of publication: N-Heterocyclic Carbenes in the Synthesis of Axially Chiral Square-Planar Platinum Complexes
• Authors of publication: Brissy, Delphine; Skander, Myriem; Retailleau, Pascal; Marinetti, Angela
• Journal of publication: Organometallics
• Year of publication: 2007
• Journal volume: 26
• Journal issue: 24
• Pages of publication: 5782
• a: 20.337 ± 0.002 Å
• b: 29.842 ± 0.003 Å
• c: 11.485 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6970.2 ± 1.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 20
• Hermann-Mauguin space group symbol: C 2 2 21
• Hall space group symbol: C 2c 2
• Residual factor for all reflections: 0.041
• Residual factor for significantly intense reflections: 0.031
• Weighted residual factors for significantly intense reflections: 0.0675
• Weighted residual factors for all reflections included in the refinement: 0.0708
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No