Information card for entry 1517810

Structure parameters

• Formula: C40 H54 Cl2 N10 O4 Pt
• Calculated formula: C40 H54 Cl2 N10 O4 Pt
• SMILES: [Pt]12([NH]=C(N(C(=[N]1c1ccccc1)N)c1ccccc1)N1CCOCC1)[N](=C(N)N(c1ccccc1)C(=[NH]2)N1CCOCC1)c1ccccc1.[Cl-].[Cl-].OCC.OCC
• Title of publication: Anionic halide···alcohol clusters in the solid state.
• Authors of publication: Gushchin, Pavel V.; Kuznetsov, Maxim L.; Haukka, Matti; Kukushkin, Vadim Yu
• Journal of publication: The journal of physical chemistry. A
• Year of publication: 2014
• Journal volume: 118
• Journal issue: 40
• Pages of publication: 9529 - 9539
• a: 10.7643 ± 0.0002 Å
• b: 17.784 ± 0.0002 Å
• c: 22.2899 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4267.01 ± 0.12 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.065
• Residual factor for significantly intense reflections: 0.0301
• Weighted residual factors for significantly intense reflections: 0.0388
• Weighted residual factors for all reflections included in the refinement: 0.0449
• Goodness-of-fit parameter for all reflections included in the refinement: 1.091
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No