Information card for entry 7118907

Structure parameters

• Formula: C12 H22 Cl2 I6 N4 Pt
• Calculated formula: C12 H22 Cl2 I6 N4 Pt
• SMILES: C(#[N][Pt]([N]#CN(CC)CC)(Cl)Cl)N(CC)CC.IC(I)I.C(I)(I)I
• Title of publication: Halogen bonding between metal centers and halocarbons.
• Authors of publication: Ivanov, Daniil M.; Novikov, Alexander S.; Ananyev, Ivan V.; Kirina, Yulia V.; Kukushkin, Vadim Yu
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2016
• Journal volume: 52
• Journal issue: 32
• Pages of publication: 5565 - 5568
• a: 8.2473 ± 0.0006 Å
• b: 8.7723 ± 0.0006 Å
• c: 11.3779 ± 0.0006 Å
• α: 104.013 ± 0.005°
• β: 98.93 ± 0.005°
• γ: 116.223 ± 0.007°
• Cell volume: 683.18 ± 0.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0394
• Residual factor for significantly intense reflections: 0.03
• Weighted residual factors for significantly intense reflections: 0.0651
• Weighted residual factors for all reflections included in the refinement: 0.0701
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No