Information card for entry 4350125

Structure parameters

• Formula: C48.5 H46.5 N2 Pt S2
• Calculated formula: C50 H48 N2 Pt S2
• Title of publication: Probing the electronic structure of platinum(II) chromophores: crystal structures, NMR structures, and photophysical properties of six new bis- and di- phenolate/thiolate Pt(II)diimine chromophores.
• Authors of publication: Weinstein, Julia A.; Tierney, Mark T.; Davies, E. Stephen; Base, Karel; Robeiro, Anthony A.; Grinstaff, Mark W.
• Journal of publication: Inorganic chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 11
• Pages of publication: 4544 - 4555
• a: 36.08 ± 0.014 Å
• b: 14.323 ± 0.009 Å
• c: 36.672 ± 0.017 Å
• α: 90°
• β: 112.063 ± 0.001°
• γ: 90°
• Cell volume: 17563 ± 15 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 5
• 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: 0.116
• Residual factor for significantly intense reflections: 0.053
• Weighted residual factors for all reflections: 0.092
• Weighted residual factors for significantly intense reflections: 0.058
• Goodness-of-fit parameter for significantly intense reflections: 1.5
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MolybdenumKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No