Information card for entry 7007992

Structure parameters

• Formula: C63 H107 I2 O2 P3 Pt3
• Calculated formula: C63 H107 I2 O2 P3 Pt3
• SMILES: [Pt]123([Pt]4([Pt]1([I]4)([P](C1CCCCC1)(C1CCCCC1)C1CCCCC1)C2=O)([P](C1CCCCC1)(C1CCCCC1)C1CCCCC1)C3=O)(I)[P](C1CCCCC1)(C1CCCCC1)C1CCCCC1.c1(ccccc1)C
• Title of publication: Oxidative addition of iodo-acetonitrile and of elemental halogens to [Pt3(mu-CO)3(PCy3)3].
• Authors of publication: Béni, Zoltán; Ros, Renzo; Tassan, Augusto; Scopelliti, Rosario; Roulet, Raymond
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2005
• Journal issue: 2
• Pages of publication: 315 - 325
• a: 10.4474 ± 0.0004 Å
• b: 14.1166 ± 0.0009 Å
• c: 23.8599 ± 0.0012 Å
• α: 84.786 ± 0.005°
• β: 79.565 ± 0.004°
• γ: 78.851 ± 0.004°
• Cell volume: 3389.7 ± 0.3 ų
• Cell temperature: 140 ± 2 K
• Ambient diffraction temperature: 140 ± 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: 0.0696
• Residual factor for significantly intense reflections: 0.0509
• Weighted residual factors for significantly intense reflections: 0.138
• Weighted residual factors for all reflections included in the refinement: 0.1533
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No