Information card for entry 7225553

Structure parameters

• Formula: C31 H23 Cl4 N5 Pt
• Calculated formula: C31 H23 Cl4 N5 Pt
• SMILES: C1(N=c2c(c3ccccc3)c(c3ccccc3)c3n2[Pt]([NH]=C(N=3)c2ccccc2)([NH]=1)Cl)c1ccccc1.C(Cl)(Cl)Cl
• Title of publication: A family of heterotetrameric clusters of chloride species and halomethanes held by two halogen and two hydrogen bonds
• Authors of publication: Ivanov, Daniil M.; Novikov, Alexander S.; Starova, Galina L.; Haukka, Matti; Kukushkin, Vadim Yu.
• Journal of publication: CrystEngComm
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 28
• Pages of publication: 5278
• a: 9.8061 ± 0.0005 Å
• b: 13.1997 ± 0.0006 Å
• c: 13.2846 ± 0.0006 Å
• α: 115.493 ± 0.002°
• β: 91.131 ± 0.002°
• γ: 107.138 ± 0.002°
• Cell volume: 1461.62 ± 0.12 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0256
• Residual factor for significantly intense reflections: 0.0206
• Weighted residual factors for significantly intense reflections: 0.0446
• Weighted residual factors for all reflections included in the refinement: 0.0461
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No