Information card for entry 4343522

Structure parameters

• Formula: C13 H13 Cl F3 N3 O3 Pt S
• Calculated formula: C13 H13 Cl F3 N3 O3 Pt S
• SMILES: c1cccc2C[NH]3Cc4cccc[n]4[Pt]3([n]12)Cl.C(F)(F)(F)S(=O)(=O)[O-]
• Title of publication: A Dinuclear Platinum(II) N4Py Complex: An Unexpected Coordination Mode For N4Py.
• Authors of publication: Lo, Warrick K. C.; Huff, Gregory S.; Preston, Dan; McMorran, David A.; Giles, Gregory I.; Gordon, Keith C.; Crowley, James D.
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 14
• Pages of publication: 6671 - 6673
• a: 26.4467 ± 0.0004 Å
• b: 7.152 ± 0.0002 Å
• c: 17.9404 ± 0.0002 Å
• α: 90°
• β: 97.794 ± 0.002°
• γ: 90°
• Cell volume: 3362.02 ± 0.11 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 8
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.0645
• Residual factor for significantly intense reflections: 0.063
• Weighted residual factors for significantly intense reflections: 0.1663
• Weighted residual factors for all reflections included in the refinement: 0.1779
• Goodness-of-fit parameter for all reflections included in the refinement: 1.399
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No