Information card for entry 7027474

Structure parameters

• Formula: C17 H33 N19 O15 Pt2
• Calculated formula: C17 H33 N19 O15 Pt2
• SMILES: [Pt](n1[n]([Pt]([NH3])([NH3])[n]2c3c(nc([nH]c3=O)N)n(c2)CC)ccc1)([NH3])([NH3])[n]1c2c(nc([nH]c2=O)N)n(c1)CC.N(=O)(=O)[O-].N(=O)(=O)[O-].N(=O)(=O)[O-].O.O.O.O
• Title of publication: An NMR study and crystal structure of [{cis-Pt(NH3)2(9EtG-κN7)}2(μ-pz)][NO3]3 (9EtG = 9-ethylguanine) as a model compound for the 1,2-intrastrand GG crosslink †
• Authors of publication: Komeda, Seiji; Ohishi, Hirofumi; Yamane, Hirotoshi; Harikawa, Michinori; Sakaguchi, Ken-ichi; Chikuma, Masahiko
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 1999
• Journal issue: 17
• Pages of publication: 2959
• a: 14.404 ± 0.004 Å
• b: 15.06 ± 0.005 Å
• c: 8.629 ± 0.003 Å
• α: 105.45 ± 0.03°
• β: 105 ± 0.02°
• γ: 74.02 ± 0.03°
• Cell volume: 1699.4 ± 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: 0.1177
• Residual factor for significantly intense reflections: 0.0949
• Weighted residual factors for all reflections: 0.5629
• Weighted residual factors for significantly intense reflections: 0.3078
• Goodness-of-fit parameter for all reflections: 1.742
• Goodness-of-fit parameter for significantly intense reflections: 1.808
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoK'a
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No