Information card for entry 7118911

Structure parameters

• Formula: C14 H22 Cl2 I6 N4 Pt
• Calculated formula: C14 H22 Cl2 I6 N4 Pt
• SMILES: C(#[N][Pt]([N]#CN1CCCCC1)(Cl)Cl)N1CCCCC1.C(I)(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: 9.168 ± 0.0015 Å
• b: 9.1918 ± 0.0015 Å
• c: 10.109 ± 0.0016 Å
• α: 113.897 ± 0.003°
• β: 100.373 ± 0.003°
• γ: 107.948 ± 0.003°
• Cell volume: 693.9 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0496
• Residual factor for significantly intense reflections: 0.0333
• Weighted residual factors for significantly intense reflections: 0.0694
• Weighted residual factors for all reflections included in the refinement: 0.0749
• Goodness-of-fit parameter for all reflections included in the refinement: 0.961
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No