Information card for entry 7002361

Structure parameters

• Formula: C40 H54 N20 O21 Pt2
• Calculated formula: C40 H54 N20 O21 Pt2
• SMILES: [Pt]1([n]2c(c3[n]1cccc3)cccc2)([n]1c(=O)n(C)ccc1N)[n]1c(=O)n(C)ccc1N.O=N(=O)[O-].O=N(=O)[O-].O.O.O
• Title of publication: 1H NMR spectroscopic identification of binding modes of 2,2′-bipyridine ligands in complexes of square-planar d8 metal ions
• Authors of publication: Shen, Wei-Zheng; Trötscher-Kaus, Gabriele; Lippert, Bernhard
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 39
• Pages of publication: 8203 - 8214
• a: 12.533 ± 0.003 Å
• b: 14.493 ± 0.003 Å
• c: 15.835 ± 0.003 Å
• α: 93.76 ± 0.03°
• β: 106.29 ± 0.03°
• γ: 95.93 ± 0.03°
• Cell volume: 2732.5 ± 1.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1169
• Residual factor for significantly intense reflections: 0.0382
• Weighted residual factors for significantly intense reflections: 0.0903
• Weighted residual factors for all reflections included in the refinement: 0.0989
• Goodness-of-fit parameter for all reflections included in the refinement: 0.931
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No