Information card for entry 7042256

Structure parameters

• Formula: C33 H21 Cl N6 O6.5 Ru
• Calculated formula: C33 H21 Cl N6 O6.5 Ru
• Title of publication: Base assisted C-C coupling between carbonyl and polypyridyl ligands in a Ru-NADH-type carbonyl complex.
• Authors of publication: Ghosh, Debashis; Fukushima, Takashi; Kobayashi, Katsuaki; Sen, Susan; Kitagawa, Susumu; Kato, Tatsuhisa; Tanaka, Koji
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2017
• Journal volume: 46
• Journal issue: 13
• Pages of publication: 4373 - 4381
• a: 8.4666 ± 0.0011 Å
• b: 11.6275 ± 0.0014 Å
• c: 16.1049 ± 0.0019 Å
• α: 90.226 ± 0.005°
• β: 98.86 ± 0.008°
• γ: 97.136 ± 0.007°
• Cell volume: 1554 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.057
• Residual factor for significantly intense reflections: 0.0492
• Weighted residual factors for significantly intense reflections: 0.1279
• Weighted residual factors for all reflections included in the refinement: 0.1347
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No