Information card for entry 7704120

Structure parameters

• Formula: C42 H40 B Cl2 F4 N P Re S3
• Calculated formula: C42 H40 B Cl2 F4 N P Re S3
• Title of publication: Synthesis and reactivity of nitridorhenium complexes incorporating the mercaptoethylsulfide (SSS) ligand.
• Authors of publication: Lambic, Nikola S.; Sommer, Roger D.; Ison, Elon A.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 18
• Pages of publication: 6127 - 6134
• a: 13.1433 ± 0.0003 Å
• b: 13.2755 ± 0.0003 Å
• c: 14.1699 ± 0.0003 Å
• α: 107.595 ± 0.001°
• β: 99.184 ± 0.001°
• γ: 111.442 ± 0.001°
• Cell volume: 2089.51 ± 0.09 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 9
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0431
• Residual factor for significantly intense reflections: 0.0345
• Weighted residual factors for significantly intense reflections: 0.0886
• Weighted residual factors for all reflections included in the refinement: 0.093
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No