Information card for entry 7122666

Structure parameters

• Formula: C117 H128 N8 O2 P4 Ru2 S2
• Calculated formula: C117 H128 N8 O2 P4 Ru2 S2
• Title of publication: Metallo-supramolecular assembly of protic pincer-type complexes: encapsulation of dinitrogen and carbon disulfide into multiproton-responsive diruthenium cage
• Authors of publication: Toda, Tatsuro; Suzuki, Satoshi; Kuwata, Shigeki
• Journal of publication: Chemical Communications
• Year of publication: 2018
• a: 12.341 ± 0.009 Å
• b: 13.779 ± 0.009 Å
• c: 17.827 ± 0.012 Å
• α: 98.921 ± 0.004°
• β: 108.772 ± 0.01°
• γ: 110.878 ± 0.008°
• Cell volume: 2554 ± 3 ų
• Cell temperature: 93 K
• Ambient diffraction temperature: 93 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.072
• Residual factor for significantly intense reflections: 0.0477
• Weighted residual factors for significantly intense reflections: 0.1182
• Weighted residual factors for all reflections included in the refinement: 0.1276
• Goodness-of-fit parameter for all reflections included in the refinement: 0.906
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No