Information card for entry 7038409

Structure parameters

• Formula: C29 H29 N2 O2 Pt
• Calculated formula: C29 H29 N2 O2 Pt
• SMILES: [Pt]123Oc4c(c5[n]1c(=Cc1c(CC)c(c(c6ccccc6O3)n21)CC)c(c5CC)CC)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: 9.3473 ± 0.0004 Å
• b: 12.3349 ± 0.0005 Å
• c: 20.0843 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2315.68 ± 0.16 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n 21 a
• Hall space group symbol: P -2ac -2n
• Residual factor for all reflections: 0.0396
• Residual factor for significantly intense reflections: 0.0319
• Weighted residual factors for significantly intense reflections: 0.0727
• Weighted residual factors for all reflections included in the refinement: 0.0763
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No