Information card for entry 7126946

Structure parameters

• Formula: C15 H12 Cl N5 O6 Pt
• Calculated formula: C15 H12 Cl N5 O6 Pt
• SMILES: [Pt]12(Cl)[n]3ccccc3c3cccc([n]13)c1cccc[n]21.N(=O)(=O)[O-].N(=O)(=O)O
• Title of publication: Phase transformation induced mechanochromism in a platinum salt: a tale of two polymorphs.
• Authors of publication: Norton, Amie E.; Abdolmaleki, Mahmood Karimi; Liang, Jiamin; Sharma, Malvika; Golsby, Robert; Zoller, Ann; Krause, Jeanette A.; Connick, William B.; Chatterjee, Sayandev
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2020
• Journal volume: 56
• Journal issue: 70
• Pages of publication: 10175 - 10178
• a: 9.0638 ± 0.0001 Å
• b: 9.7744 ± 0.0001 Å
• c: 10.3917 ± 0.0001 Å
• α: 68.652 ± 0.001°
• β: 84.693 ± 0.001°
• γ: 89.76 ± 0.001°
• Cell volume: 853.359 ± 0.016 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0349
• Residual factor for significantly intense reflections: 0.032
• Weighted residual factors for significantly intense reflections: 0.0795
• Weighted residual factors for all reflections included in the refinement: 0.0811
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No