Information card for entry 7127366

Structure parameters

• Formula: C47 H46 Cl N5 O5 P2 Pt
• Calculated formula: C47 H46 Cl N5 O5 P2 Pt
• SMILES: c1(ccccc1)[P](c1ccccc1)(c1ccccc1)[PtH](=C1N(c2nc([nH]c(=O)c2N1C)N)[C@H]1[C@@H]([C@@H]([C@@H](CO)O1)O)O)[P](c1ccccc1)(c1ccccc1)c1ccccc1.[Cl-]
• Title of publication: On the reactivity of mRNA Cap0: C-H oxidative addition of 7-methylguanosine to Pt⁰ and base pairing studies.
• Authors of publication: Leitão, Maria Inês P S; Gonzalez, Carmen; Francescato, Giulia; Filipiak, Zuzanna; Petronilho, Ana
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2020
• Journal volume: 56
• Journal issue: 87
• Pages of publication: 13365 - 13368
• a: 14.809 ± 0.0007 Å
• b: 9.7032 ± 0.0004 Å
• c: 18.6573 ± 0.0009 Å
• α: 90°
• β: 113.307 ± 0.002°
• γ: 90°
• Cell volume: 2462.2 ± 0.2 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 7
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0483
• Residual factor for significantly intense reflections: 0.0424
• Weighted residual factors for significantly intense reflections: 0.1048
• Weighted residual factors for all reflections included in the refinement: 0.1071
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No