Information card for entry 7024044

Structure parameters

• Formula: C27 H18 N4 Pt
• Calculated formula: C27 H18 N4 Pt
• SMILES: c1cccc2c3ccccc3[Pt]3([n]12)n1cccc1C(=c1ccc[n]31)c1ccc(cc1)C#N
• Title of publication: Dipyrrin based luminescent cyclometallated palladium and platinum complexes.
• Authors of publication: Bronner, Catherine; Baudron, Stéphane A; Hosseini, Mir Wais; Strassert, Cristian A.; Guenet, Aurélie; De Cola, Luisa
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 1
• Pages of publication: 180 - 184
• a: 7.266 ± 0.0003 Å
• b: 12.5451 ± 0.0004 Å
• c: 22.3968 ± 0.0008 Å
• α: 90°
• β: 90.177 ± 0.002°
• γ: 90°
• Cell volume: 2041.52 ± 0.13 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0401
• Residual factor for significantly intense reflections: 0.028
• Weighted residual factors for significantly intense reflections: 0.067
• Weighted residual factors for all reflections included in the refinement: 0.0911
• Goodness-of-fit parameter for all reflections included in the refinement: 1.135
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No