Information card for entry 7235204

Structure parameters

• Formula: C20 H36 I2 N4 Ru
• Calculated formula: C20 H36 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: 17.0495 ± 0.001 Å
• b: 9.9661 ± 0.0008 Å
• c: 18.6572 ± 0.0017 Å
• α: 90°
• β: 115.397 ± 0.006°
• γ: 90°
• Cell volume: 2863.8 ± 0.4 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0755
• Residual factor for significantly intense reflections: 0.0398
• Weighted residual factors for significantly intense reflections: 0.0884
• Weighted residual factors for all reflections included in the refinement: 0.1056
• Goodness-of-fit parameter for all reflections included in the refinement: 0.874
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No