Information card for entry 7010803

Structure parameters

• Formula: C53 H46 Cl4 N8 O4 P2 Ru2
• Calculated formula: C53 H46 Cl4 N8 O3.67 P2 Ru2
• 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: 16.089 ± 0.003 Å
• b: 10.26 ± 0.002 Å
• c: 33.837 ± 0.007 Å
• α: 90°
• β: 96.8 ± 0.02°
• γ: 90°
• Cell volume: 5546.3 ± 1.9 ų
• Cell temperature: 293.2 K
• Ambient diffraction temperature: 293.2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0671
• Residual factor for significantly intense reflections: 0.045
• Weighted residual factors for all reflections: 0.0505
• Weighted residual factors for all reflections included in the refinement: 0.049
• Goodness-of-fit parameter for all reflections: 2.911
• Goodness-of-fit parameter for all reflections included in the refinement: 3.186
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKa
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No