Information card for entry 7706012

Structure parameters

• Formula: C58 H44 Cl2 N12 O12 Ru2
• Calculated formula: C58 H44 Cl2 N12 O12 Ru2
• Title of publication: On the non-innocence and reactive versus non-reactive nature of α-diketones in a set of diruthenium frameworks.
• Authors of publication: Khan, Farheen Fatima; Mondal, Saikat; Chandra, Shubhadeep; Neuman, Nicolas I.; Sarkar, Biprajit; Lahiri, Goutam Kumar
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2021
• Journal volume: 50
• Journal issue: 3
• Pages of publication: 1106 - 1118
• a: 13.6797 ± 0.0007 Å
• b: 10.7866 ± 0.0006 Å
• c: 19.9547 ± 0.0014 Å
• α: 90°
• β: 95.896 ± 0.006°
• γ: 90°
• Cell volume: 2928.9 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/n 1
• Hall space group symbol: -P 2yac
• Residual factor for all reflections: 0.1279
• Residual factor for significantly intense reflections: 0.0797
• Weighted residual factors for significantly intense reflections: 0.1737
• Weighted residual factors for all reflections included in the refinement: 0.2082
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No