Information card for entry 4501951

Structure parameters

• Formula: C42 H50 Cl14 N10 Pt
• Calculated formula: C42 H50 Cl14 N10 Pt
• SMILES: C1(=[NH][Pt]2([N](=C(N1c1ccccc1)N)c1ccccc1)[NH]=C(N(c1ccccc1)C(=[N]2c1ccccc1)N)N1CCCCC1)N1CCCCC1.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl.[Cl-].C(Cl)(Cl)Cl.C(Cl)(Cl)Cl.[Cl-]
• Title of publication: Chloride−Chloroform Clusters Exhibiting Weak Hydrogen and Halogen Bondings Are Fully Characterized in the Solid State by X-ray Diffraction
• Authors of publication: Gushchin, Pavel V.; Starova, Galina L.; Haukka, Matti; Kuznetsov, Maxim L.; Eremenko, Igor L.; Kukushkin, Vadim Yu.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2010
• Journal volume: 10
• Journal issue: 11
• Pages of publication: 4839
• a: 13.2565 ± 0.0002 Å
• b: 17.8931 ± 0.0004 Å
• c: 23.6966 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5620.83 ± 0.19 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0881
• Residual factor for significantly intense reflections: 0.036
• Weighted residual factors for significantly intense reflections: 0.0747
• Weighted residual factors for all reflections included in the refinement: 0.0884
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No