Information card for entry 7235206

Structure parameters

• Formula: C28 H40 Br2 Cl4 F4 I2 N4 Ru
• Calculated formula: C28 H40 Br2 Cl4 F4 I2 N4 Ru
• Title of publication: Halogen bonding (HaB) in E‒I⋯X‒M systems: influence of the halogen donor on the HaB nature
• Authors of publication: Dortéz, Silvia; Fernández-Palacio, Francisco; Damián, Jesús; Gaiteiro, Carlos; Ramos, Javier; Gómez-Sal, Pilar; Mosquera, Marta E. G.
• Journal of publication: CrystEngComm
• Year of publication: 2020
• Journal volume: 22
• Journal issue: 5
• Pages of publication: 870 - 877
• a: 9.3125 ± 0.0004 Å
• b: 9.3992 ± 0.0004 Å
• c: 12.7543 ± 0.0005 Å
• α: 71.759 ± 0.001°
• β: 81.883 ± 0.002°
• γ: 80.6 ± 0.002°
• Cell volume: 1041.2 ± 0.08 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0817
• Residual factor for significantly intense reflections: 0.068
• Weighted residual factors for significantly intense reflections: 0.2074
• Weighted residual factors for all reflections included in the refinement: 0.2633
• Goodness-of-fit parameter for all reflections included in the refinement: 1.138
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No