Information card for entry 7710431

Structure parameters

• Formula: C65 H69 B Cl3 Co N2 P2 Ru S3
• Calculated formula: C65 H69 B Cl3 Co N2 P2 Ru S3
• Title of publication: Reversible Binding of Dinitrogen on a Thiolate-Bridged Cobalt-Ruthenium Complex Supported by a Flexible Bidentate Phosphine Ligand
• Authors of publication: Dong, Wenjing; Yang, Dawei; Mei, Tao; Wang, Baomin; Qu, Jingping
• Journal of publication: Dalton Transactions
• Year of publication: 2022
• a: 12.0693 ± 0.0009 Å
• b: 14.271 ± 0.001 Å
• c: 35.98 ± 0.003 Å
• α: 90°
• β: 93.294 ± 0.002°
• γ: 90°
• Cell volume: 6187 ± 0.8 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 K
• Number of distinct elements: 9
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.133
• Residual factor for significantly intense reflections: 0.0932
• Weighted residual factors for significantly intense reflections: 0.1776
• Weighted residual factors for all reflections included in the refinement: 0.1882
• Goodness-of-fit parameter for all reflections included in the refinement: 1.164
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No