Information card for entry 4065206

Structure parameters

• Formula: C19 H16 B N5 O0 Pt S0
• Calculated formula: C19 H16 B N5 Pt
• SMILES: [Pt]12(c3cccc4ccc5ccc[n]1c5c34)[n]1cccn1[BH2]n1ccc[n]21
• Title of publication: Luminescent Cycloplatinated Complexes Containing Poly(pyrazolyl)-borate and -methane Ligands
• Authors of publication: Berenguer, Jesús R.; Díez, Álvaro; Lalinde, Elena; Moreno, M. Teresa; Ruiz, Santiago; Sánchez, Sergio
• Journal of publication: Organometallics
• Year of publication: 2011
• Journal volume: 30
• Journal issue: 21
• Pages of publication: 5776
• a: 13.9781 ± 0.0001 Å
• b: 7.3435 ± 0.0001 Å
• c: 16.5901 ± 0.0002 Å
• α: 90°
• β: 105.469 ± 0.002°
• γ: 90°
• Cell volume: 1641.25 ± 0.04 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 K
• Number of distinct elements: 7
• 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: 0.0197
• Residual factor for significantly intense reflections: 0.0166
• Weighted residual factors for significantly intense reflections: 0.0426
• Weighted residual factors for all reflections included in the refinement: 0.0432
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No