Information card for entry 4336724

Structure parameters

• Formula: C36 H28 Br2 Cl N3 O2 Pt
• Calculated formula: C36 H28 Br2 Cl N3 O2 Pt
• SMILES: [Pt]12(Cl)(n3c(c(Br)c(c4ccccc4)c3N=c3[n]1c(c1ccc(cc1)OC)c(Br)c3c1ccccc1)c1ccc(cc1)OC)[CH2]=[CH2]2
• Title of publication: Azadipyrromethene Complexes of d8 Metal Centers: Rhodium(I), Iridium(I), Palladium(II), and Platinum(II)
• Authors of publication: Nihal Deligonul; Thomas G. Gray
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 13048 - 13057
• a: 10.133 ± 0.003 Å
• b: 12.253 ± 0.003 Å
• c: 16.066 ± 0.005 Å
• α: 104.306 ± 0.003°
• β: 102.713 ± 0.003°
• γ: 90.288 ± 0.004°
• Cell volume: 1881.8 ± 0.9 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 ± 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: 0.0914
• Residual factor for significantly intense reflections: 0.0568
• Weighted residual factors for significantly intense reflections: 0.1535
• Weighted residual factors for all reflections included in the refinement: 0.1677
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No