Information card for entry 7038408

Structure parameters

• Formula: C30 H23 N2 O2 Pt
• Calculated formula: C30 H23 N2 O2 Pt
• SMILES: [Pt]123Oc4c(c5[n]2c(=C(c2n3c(c3c(O1)cccc3)cc2)c1c(cc(cc1C)C)C)cc5)cccc4
• Title of publication: Stable neutral radicals of planar N2O2-type dipyrrin platinum complexes: hybrid radicals of the delocalized organic π-orbital and platinum d-orbital.
• Authors of publication: Yamamura, M.; Takizawa, H.; Gobo, Y.; Nabeshima, T.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 16
• Pages of publication: 6834 - 6838
• a: 15.407 ± 0.003 Å
• b: 15.984 ± 0.003 Å
• c: 18.826 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4636.2 ± 1.5 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0558
• Residual factor for significantly intense reflections: 0.0324
• Weighted residual factors for significantly intense reflections: 0.0714
• Weighted residual factors for all reflections included in the refinement: 0.0851
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No