Information card for entry 4075826

Structure parameters

• Formula: C28 H46 Br2 N4 O Pt
• Calculated formula: C28 H46 Br2 N4 O Pt
• SMILES: [Pt]12([N](Cc3c1cc(c(Br)c3)CN(C)C)(C)C)[N](Cc1c2cc(c(Br)c1)CN(C)C)(C)C.O(CC)CC
• Title of publication: Functionalized Homolepticcis- andtrans-C,N-ortho-Chelated Aminoaryl Platinum(II) Complexes
• Authors of publication: Amijs, Catelijne H. M.; van Klink, Gerard P. M.; Lutz, Martin; Spek, Anthony L.; van Koten, Gerard
• Journal of publication: Organometallics
• Year of publication: 2005
• Journal volume: 24
• Journal issue: 12
• Pages of publication: 2944
• a: 11.254 ± 0.0001 Å
• b: 13.4683 ± 0.0001 Å
• c: 20.6529 ± 0.0002 Å
• α: 90°
• β: 100.32 ± 0.0004°
• γ: 90°
• Cell volume: 3079.77 ± 0.05 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0364
• Residual factor for significantly intense reflections: 0.0304
• Weighted residual factors for significantly intense reflections: 0.0684
• Weighted residual factors for all reflections included in the refinement: 0.0705
• Goodness-of-fit parameter for all reflections included in the refinement: 1.133
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No