Information card for entry 7119675

Structure parameters

• Formula: C59 H59 B2 F24 N5 Pt
• Calculated formula: C59 H59 B2 F24 N5 Pt
• SMILES: C12N(C=CN1C(C[Pt]=2(=C1N(C=CN1C(C)(C)C)C(C)(C)C)[H][BH2][n]1ccccc1)(C)C)C(C)(C)C.c1(cc(cc(c1)C(F)(F)F)C(F)(F)F)[B-](c1cc(cc(c1)C(F)(F)F)C(F)(F)F)(c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
• Title of publication: Catalytic dehydrocoupling of amine-boranes and amines into diaminoboranes: isolation of a Pt(II), Shimoi-type, Eta1-BH complex
• Authors of publication: Marta Rosello-Merino; Raquel J. Rama; Josefina Diez; Salvador Conejero
• Journal of publication: Chem.Commun.
• Year of publication: 2016
• Journal volume: 52
• Pages of publication: 8389
• a: 39.65 ± 0.005 Å
• b: 13.44 ± 0.005 Å
• c: 26.01 ± 0.005 Å
• α: 90°
• β: 111.476 ± 0.005°
• γ: 90°
• Cell volume: 12898 ± 6 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.04
• Residual factor for significantly intense reflections: 0.0395
• Weighted residual factors for significantly intense reflections: 0.0977
• Weighted residual factors for all reflections included in the refinement: 0.0981
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No