Information card for entry 7023161

Structure parameters

• Formula: C51 H38 Cl2 N12 O11.5 Ru2
• Calculated formula: C51 H38 Cl2 N12 O11.5 Ru2
• Title of publication: Influence of ancillary ligands on the electronic structure and anion sensing features of ligand bridged diruthenium complexes.
• Authors of publication: Das, Ankita; Kundu, Tanaya; Mobin, Shaikh M.; Priego, José Luis; Jiménez-Aparicio, Reyes; Lahiri, Goutam Kumar
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 37
• Pages of publication: 13733 - 13746
• a: 13.2888 ± 0.0007 Å
• b: 14.3301 ± 0.0008 Å
• c: 16.8049 ± 0.001 Å
• α: 80.183 ± 0.005°
• β: 75.426 ± 0.005°
• γ: 80.517 ± 0.005°
• Cell volume: 3026.8 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1587
• Residual factor for significantly intense reflections: 0.0846
• Weighted residual factors for significantly intense reflections: 0.2278
• Weighted residual factors for all reflections included in the refinement: 0.2486
• Goodness-of-fit parameter for all reflections included in the refinement: 0.894
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No