Information card for entry 7131622

Structure parameters

• Formula: C14 H15 N5 Pt
• Calculated formula: C14 H15 N5 Pt
• SMILES: [Pt]1(=C2N(c3cc(cc[n]13)C)C=CN2C(C)C)(C#N)C#N
• Title of publication: Chromic triboluminescence of self-assembled platinum(II) complexes.
• Authors of publication: Sasaki, Kono; Saito, Daisuke; Yoshida, Masaki; Tanaka, Fuka; Kobayashi, Atsushi; Sada, Kazuki; Kato, Masako
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2023
• Journal volume: 59
• Journal issue: 44
• Pages of publication: 6745 - 6748
• a: 7.0539 ± 0.0002 Å
• b: 9.1957 ± 0.0002 Å
• c: 11.0803 ± 0.0002 Å
• α: 89.036 ± 0.002°
• β: 86.526 ± 0.002°
• γ: 89.72 ± 0.002°
• Cell volume: 717.3 ± 0.03 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0371
• Residual factor for significantly intense reflections: 0.0362
• Weighted residual factors for significantly intense reflections: 0.0964
• Weighted residual factors for all reflections included in the refinement: 0.097
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No