Information card for entry 7019480

Structure parameters

• Formula: C18.5 H21 Cl3 N4 O5 Ru
• Calculated formula: C18.5 H20 Cl3 N4 O5 Ru
• Title of publication: Synthesis, spectroscopic analysis and photolabilization of water-soluble ruthenium(iii)-nitrosyl complexes.
• Authors of publication: Merkle, Anna C.; McQuarters, Ashley B.; Lehnert, Nicolai
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 26
• Pages of publication: 8047 - 8059
• a: 10.4799 ± 0.0008 Å
• b: 15.1542 ± 0.0012 Å
• c: 14.4573 ± 0.0011 Å
• α: 90°
• β: 108.579 ± 0.001°
• γ: 90°
• Cell volume: 2176.4 ± 0.3 ų
• Cell temperature: 85 ± 2 K
• Ambient diffraction temperature: 85 ± 2 K
• Number of distinct elements: 6
• 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: 0.0225
• Residual factor for significantly intense reflections: 0.0214
• Weighted residual factors for significantly intense reflections: 0.0568
• Weighted residual factors for all reflections included in the refinement: 0.0578
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No