Information card for entry 7024043

Structure parameters

• Formula: C29 H25 N3 Pt
• Calculated formula: C29 H25 N3 Pt
• SMILES: c1cccc2c3cccc[n]3[Pt]3(c12)n1cccc1C(=c1ccc[n]31)c1c(cc(cc1C)C)C
• 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: 7.8866 ± 0.0003 Å
• b: 14.9148 ± 0.0006 Å
• c: 19.3528 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2276.41 ± 0.16 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0468
• Residual factor for significantly intense reflections: 0.0377
• Weighted residual factors for significantly intense reflections: 0.0615
• Weighted residual factors for all reflections included in the refinement: 0.0669
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No