Information card for entry 7715702

Structure parameters

• Formula: C18 H12 N4 O2 Pt
• Calculated formula: C18 H12 N4 O2 Pt
• SMILES: [Pt]12(c3ccccc3c3[n]2c2ccccc2[nH]3)OC(=O)c2[n]1ccnc2
• Title of publication: Controlled crystallisation of porous crystals of luminescent platinum(II) complexes by electronic tuning of ancillary ligands.
• Authors of publication: Mochizuki, Takanari; Yoshida, Masaki; Kobayashi, Atsushi; Kato, Masako
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2024
• Journal volume: 53
• Journal issue: 29
• Pages of publication: 12064 - 12072
• a: 30.2788 ± 0.0004 Å
• b: 30.2788 ± 0.0004 Å
• c: 9.8954 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 7856.72 ± 0.17 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 5
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.023
• Residual factor for significantly intense reflections: 0.0217
• Weighted residual factors for significantly intense reflections: 0.0591
• Weighted residual factors for all reflections included in the refinement: 0.0596
• Goodness-of-fit parameter for all reflections included in the refinement: 1.124
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No