Information card for entry 7010804

Structure parameters

• Formula: C56 H54 Cl2 N6 O2.2 P2.33 Ru
• Calculated formula: C55.6 H44 Cl2 N6 O2.06367 P2.11133 Ru
• Title of publication: Polypyrazolylmethane complexes of ruthenium
• Authors of publication: Field, Leslie D.; Messerle, Barbara A.; Soler, Linnea; Buys, Irmi E.; Hambley, Trevor W.
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2001
• Journal issue: 13
• Pages of publication: 1959 - 1965
• a: 20.022 ± 0.004 Å
• b: 20.022 ± 0.004 Å
• c: 20.022 ± 0.004 Å
• α: 90.73 ± 0.02°
• β: 90.73 ± 0.02°
• γ: 90.73 ± 0.02°
• Cell volume: 8024 ± 3 ų
• Cell temperature: 273.2 K
• Ambient diffraction temperature: 273.2 K
• Number of distinct elements: 7
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :R
• Hall space group symbol: -P 3*
• Residual factor for all reflections: 0.0873
• Residual factor for significantly intense reflections: 0.0476
• Weighted residual factors for all reflections: 0.0544
• Weighted residual factors for all reflections included in the refinement: 0.0514
• Goodness-of-fit parameter for all reflections: 1.861
• Goodness-of-fit parameter for all reflections included in the refinement: 2.172
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No