Information card for entry 4345181

Structure parameters

• Formula: C13 H17 N2 O3 Pt Re
• Calculated formula: C13 H17 N2 O3 Pt Re
• SMILES: [Pt]1([Re](=O)(=O)(=O)C)([n]2c(c3[n]1cccc3)cccc2)(C)C
• Title of publication: Mechanism of Me-Re Bond Addition to Platinum(II) and Dioxygen Activation by the Resulting Pt-Re Bimetallic Center.
• Authors of publication: Pichaandi, Kothanda Rama; Kabalan, Lara; Amini, Hashem; Zhang, Guanghui; Zhu, Hanyu; Kenttämaa, Hilkka I; Fanwick, Phillip E.; Miller, Jeffrey T.; Kais, Sabre; Nabavizadeh, S. Masoud; Rashdi, Mehdi; Abu-Omar, Mahdi M
• Journal of publication: Inorganic chemistry
• Year of publication: 2017
• Journal volume: 56
• Journal issue: 4
• Pages of publication: 2145 - 2152
• a: 8.199 ± 0.0006 Å
• b: 9.5483 ± 0.0007 Å
• c: 10.2508 ± 0.0007 Å
• α: 88.628 ± 0.004°
• β: 70.942 ± 0.004°
• γ: 85.674 ± 0.004°
• Cell volume: 756.35 ± 0.1 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0525
• Residual factor for significantly intense reflections: 0.0332
• Weighted residual factors for significantly intense reflections: 0.0656
• Weighted residual factors for all reflections included in the refinement: 0.0714
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No