Information card for entry 1517807

Structure parameters

• Formula: C36 H50 Cl2 N10 O2 Pt
• Calculated formula: C36 H50 Cl2 N10 O2 Pt
• SMILES: [Pt]12([NH]=C(N(C(=[N]1c1ccccc1)N)c1ccccc1)N(C)C)[N](c1ccccc1)=C(N(c1ccccc1)C(=[NH]2)N(C)C)N.[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: 10.4214 ± 0.0002 Å
• b: 17.7041 ± 0.0003 Å
• c: 21.4018 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3948.66 ± 0.14 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 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: 0.0539
• Residual factor for significantly intense reflections: 0.031
• Weighted residual factors for significantly intense reflections: 0.0554
• Weighted residual factors for all reflections included in the refinement: 0.0652
• Goodness-of-fit parameter for all reflections included in the refinement: 1.146
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No