Information card for entry 4083063

Structure parameters

• Formula: C19 H24 Br2 N6 O Pt
• Calculated formula: C19 H24 Br2 N6 O Pt
• SMILES: CN(C)C=O.C12N3C=CN1CCCN1C(N(C=C1)Cc1cccc(C3)n1)=[Pt]=2(Br)Br
• Title of publication: Group 10 Metal Complexes with Chelating Macrocyclic Dicarbene Ligands Bearing a 2,6-Lutidinyl Bridge: Synthesis, Reactivity, and Catalytic Activity
• Authors of publication: Biffis, Andrea; Cipani, Matteo; Bressan, Edoardo; Tubaro, Cristina; Graiff, Claudia; Venzo, Alfonso
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 9
• Pages of publication: 2182
• a: 16.8491 ± 0.0012 Å
• b: 8.7335 ± 0.0006 Å
• c: 16.3315 ± 0.0012 Å
• α: 90°
• β: 114.621 ± 0.001°
• γ: 90°
• Cell volume: 2184.7 ± 0.3 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0375
• Residual factor for significantly intense reflections: 0.03
• Weighted residual factors for significantly intense reflections: 0.0777
• Weighted residual factors for all reflections included in the refinement: 0.0819
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No