Information card for entry 7120536

Structure parameters

• Formula: C48 H62 B Co2 N3 S2
• Calculated formula: C48 H62 B Co2 N3 S2
• SMILES: [B-](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.[c]12([c]3([c]4([Co]56713(NN=[NH][Co]1389([c]%10([c]1([c]3([c]8([c]9%10C)C)C)C)C)([S]6CC)[S]7CC)[c]4([c]25C)C)C)C)C
• Title of publication: Migratory Insertion and Hydrogenation of a Bridging Azide in Thiolate-Bridged Dicobalt Reaction Platform
• Authors of publication: Zhang, Yixin; Tong, Peng; Yang, Dawei; Li, Jianzhe; Wang, Baomin; Qu, Jingping
• Journal of publication: Chem. Commun.
• Year of publication: 2017
• a: 9.675 ± 0.003 Å
• b: 17.641 ± 0.005 Å
• c: 26.834 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4580 ± 2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 57
• Hermann-Mauguin space group symbol: P b c m
• Hall space group symbol: -P 2c 2b
• Residual factor for all reflections: 0.0654
• Residual factor for significantly intense reflections: 0.0473
• Weighted residual factors for significantly intense reflections: 0.133
• Weighted residual factors for all reflections included in the refinement: 0.1484
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No