Information card for entry 7118901

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: 9.1564 ± 0.0006 Å
• b: 9.1703 ± 0.0008 Å
• c: 10.0589 ± 0.0008 Å
• α: 113.561 ± 0.007°
• β: 100.692 ± 0.007°
• γ: 107.883 ± 0.007°
• Cell volume: 689.26 ± 0.12 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: 0.0461
• Residual factor for significantly intense reflections: 0.0365
• Weighted residual factors for significantly intense reflections: 0.0835
• Weighted residual factors for all reflections included in the refinement: 0.0915
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No