Information card for entry 7000184

Structure parameters

• Formula: C59 H46 N4 P2 Pt
• Calculated formula: C59 H46 N4 P2 Pt
• SMILES: [Pt]123[P](C=NN2C2(c4ccccc4c4ccccc24)C2(N3N=C[P]1(c1ccccc1)c1ccccc1)c1ccccc1c1ccccc21)(c1ccccc1)c1ccccc1.c1(ccccc1)C
• Title of publication: A novel fluorene-containing κ4-P2N2-tetradentate platinum(II) complex
• Authors of publication: Elsegood, Mark R. J.; Lake, Andrew J.; Smith, Martin B.
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 1
• Pages of publication: 30 - 32
• a: 12.0681 ± 0.0006 Å
• b: 15.7231 ± 0.0008 Å
• c: 25.0731 ± 0.0013 Å
• α: 90°
• β: 98.648 ± 0.002°
• γ: 90°
• Cell volume: 4703.5 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0652
• Residual factor for significantly intense reflections: 0.0374
• Weighted residual factors for significantly intense reflections: 0.0643
• Weighted residual factors for all reflections included in the refinement: 0.0732
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No