Information card for entry 7224177

Structure parameters

• Formula: C12 H8 Cl2 I N2 O2 Ru
• Calculated formula: C12 H8 Cl2 I N2 O2 Ru
• Title of publication: Fine-tuning halogen bonding properties of diiodine through halogen‒halogen charge transfer ‒ extended [Ru(2,2′-bipyridine)(CO)2X2]·I2systems (X = Cl, Br, I)
• Authors of publication: Ding, Xin; Tuikka, Matti J.; Hirva, Pipsa; Kukushkin, Vadim Yu.; Novikov, Alexander S.; Haukka, Matti
• Journal of publication: CrystEngComm
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 11
• Pages of publication: 1987
• a: 6.6617 ± 0.0002 Å
• b: 9.4643 ± 0.0002 Å
• c: 13.0807 ± 0.0004 Å
• α: 70.44 ± 0.001°
• β: 80.953 ± 0.001°
• γ: 83.307 ± 0.001°
• Cell volume: 765.64 ± 0.04 ų
• Cell temperature: 101 ± 2 K
• Ambient diffraction temperature: 101 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0294
• Residual factor for significantly intense reflections: 0.0211
• Weighted residual factors for significantly intense reflections: 0.044
• Weighted residual factors for all reflections included in the refinement: 0.0465
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No