Information card for entry 7704318

Structure parameters

• Formula: C14 H10 N3 Ru0.33
• Calculated formula: C14 H10 N3 Ru0.333333
• Title of publication: Structural, spectroscopic and electronic properties of a family of face-shared bi-octahedral Ru₂^5+/6+ complexes with a bridging 2,5-di(2-pyridyl)pyrrolide ligand.
• Authors of publication: Kang, Shi-Rui; Zhou, Zi-Qin; Xiong, Chang-Feng; Liu, Bin; McGrady, John E.; Obies, Mohammed; Liu, Chao; He, Piao; Yi, Xiao-Yi
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 21
• Pages of publication: 7053 - 7059
• a: 18.0733 ± 0.0008 Å
• b: 18.0733 ± 0.0008 Å
• c: 18.3272 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 5184.4 ± 0.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0539
• Residual factor for significantly intense reflections: 0.0394
• Weighted residual factors for significantly intense reflections: 0.1061
• Weighted residual factors for all reflections included in the refinement: 0.1141
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No