Information card for entry 1549200

Structure parameters

• Formula: C48 H40 B Cl N4 O Pt
• Calculated formula: C48 H40 B Cl N4 O Pt
• SMILES: [Pt]12(Cl)[n]3c(cc(cc3c3cccc[n]23)c2ccc(OC)cc2)c2cccc[n]12.N#CC.c1(ccccc1)[B-](c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Spectroscopy, electrochemistry and antiproliferative properties of Au(iii), Pt(ii) and Cu(ii) complexes bearing modified 2,2':6',2''-terpyridine ligands.
• Authors of publication: Maroń, Anna; Czerwińska, Katarzyna; Machura, Barbara; Raposo, Luis; Roma-Rodrigues, Catarina; Fernandes, Alexandra R.; Małecki, Jan G; Szlapa-Kula, Agata; Kula, Slawomir; Krompiec, Stanisław
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 18
• Pages of publication: 6444 - 6463
• a: 7.8085 ± 0.0003 Å
• b: 15.6671 ± 0.0007 Å
• c: 17.1368 ± 0.0005 Å
• α: 77.338 ± 0.003°
• β: 89.736 ± 0.003°
• γ: 76.579 ± 0.004°
• Cell volume: 1987.25 ± 0.14 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0664
• Residual factor for significantly intense reflections: 0.0459
• Weighted residual factors for significantly intense reflections: 0.0949
• Weighted residual factors for all reflections included in the refinement: 0.1061
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No