Information card for entry 7038925

Structure parameters

• Formula: C43 H34 Cl4 F12 N8 O2 P2 Ru2
• Calculated formula: C43 H32 Cl4 F12 N8 O2 P2 Ru2
• Title of publication: Cycloruthenated complexes: pH-dependent reversible cyclometallation and reactions with nitrite at octahedral ruthenium centers.
• Authors of publication: Su, Xianlong; Zeng, Rongqing; Li, Xianghong; Dang, Weijie; Yao, Kaiyue; Tang, Dingguo
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 17
• Pages of publication: 7450 - 7459
• a: 12.2899 ± 0.0005 Å
• b: 16.2558 ± 0.0006 Å
• c: 13.4995 ± 0.0005 Å
• α: 90°
• β: 114.644 ± 0.001°
• γ: 90°
• Cell volume: 2451.31 ± 0.16 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0472
• Residual factor for significantly intense reflections: 0.0332
• Weighted residual factors for significantly intense reflections: 0.0709
• Weighted residual factors for all reflections included in the refinement: 0.0767
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No