Information card for entry 4501950

Structure parameters

• Formula: C48 H64 Cl20 N10 O2 Pt
• Calculated formula: C48 H64 Cl20 N10 O2 Pt
• SMILES: OCC.c1(ccccc1)[N]1[Pt]2([NH]=C(N(C=1N)c1ccccc1)N1CCCCC1)[NH]=C(N(c1ccccc1)C(=[N]2c1ccccc1)N)N1CCCCC1.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl.[Cl-].OCC.C(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: 9.5961 ± 0.0001 Å
• b: 29.4384 ± 0.0005 Å
• c: 12.9369 ± 0.0002 Å
• α: 90°
• β: 99.753 ± 0.001°
• γ: 90°
• Cell volume: 3601.78 ± 0.09 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0543
• Residual factor for significantly intense reflections: 0.0383
• Weighted residual factors for significantly intense reflections: 0.0899
• Weighted residual factors for all reflections included in the refinement: 0.0956
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No