Information card for entry 1546060

Structure parameters

• Formula: C36 H36 Cl2.17 I3.83 N4 Ru
• Calculated formula: C36 H36 Cl2.172 I3.828 N4 Ru
• Title of publication: FDHALO17: Comparison of Halogen Bonding networks with Ru(II) complexes and analysis of the influence of the XB interaction on their reactivity
• Authors of publication: Mosquera, Marta Elena Gonzalez; Gomez-Sal, Pilar; Egido, Irene; López López, María; Hortelano, Carlos
• Journal of publication: Faraday Discuss.
• Year of publication: 2017
• a: 7.918 ± 0.0009 Å
• b: 10.314 ± 0.0006 Å
• c: 13.411 ± 0.001 Å
• α: 92.609 ± 0.007°
• β: 100.426 ± 0.009°
• γ: 102.641 ± 0.005°
• Cell volume: 1046.89 ± 0.16 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 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: 0.082
• Residual factor for significantly intense reflections: 0.0458
• Weighted residual factors for significantly intense reflections: 0.1147
• Weighted residual factors for all reflections included in the refinement: 0.1258
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No