Information card for entry 4342193

Structure parameters

• Formula: C13 H10 Cl2 N4 Pt
• Calculated formula: C13 H10 Cl2 N4 Pt
• SMILES: c1cccc2[n]1[Pt]([n]1n2cc(c2ccccc2)n1)(Cl)Cl
• Title of publication: Comparison of Inverse and Regular 2-Pyridyl-1,2,3-triazole "Click" Complexes: Structures, Stability, Electrochemical, and Photophysical Properties.
• Authors of publication: Lo, Warrick K. C.; Huff, Gregory S.; Cubanski, John R.; Kennedy, Aaron D. W.; McAdam, C. John; McMorran, David A.; Gordon, Keith C.; Crowley, James D.
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 4
• Pages of publication: 1572 - 1587
• a: 10.6447 ± 0.0002 Å
• b: 7.3798 ± 0.0002 Å
• c: 17.3843 ± 0.0004 Å
• α: 90°
• β: 91.101 ± 0.002°
• γ: 90°
• Cell volume: 1365.38 ± 0.05 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0259
• Residual factor for significantly intense reflections: 0.0245
• Weighted residual factors for significantly intense reflections: 0.0659
• Weighted residual factors for all reflections included in the refinement: 0.0672
• Goodness-of-fit parameter for all reflections included in the refinement: 0.931
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No