Information card for entry 7108940

Structure parameters

• Formula: C48 H26 N4 Pt
• Calculated formula: C48 H26 N4 Pt
• SMILES: [Pt]123n4c5c6c7c4c4c8[n]1c(=C(c1n2c(cc1)C(=c1[n]3c(cc1)c5c1ccccc1c6ccc7c1ccccc41)c1ccccc1)c1ccccc1)cc8
• Title of publication: Spin-state control of thermal and photochemical Bergman cyclization
• Authors of publication: Leigh J. K. Boerner; Maren Pink; Hyunsoo Park; Amanda LeSueur; Jeffrey M. Zaleski
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2013
• Journal volume: 49
• Journal issue: 21
• Pages of publication: 2145 - 2147
• a: 7.2411 ± 0.001 Å
• b: 21.366 ± 0.003 Å
• c: 20.202 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3125.5 ± 0.7 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0695
• Residual factor for significantly intense reflections: 0.0388
• Weighted residual factors for significantly intense reflections: 0.0626
• Weighted residual factors for all reflections included in the refinement: 0.071
• Goodness-of-fit parameter for all reflections included in the refinement: 0.942
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No