Information card for entry 7125455

Structure parameters

• Formula: C123 H124 B Cl6 F7 N10 O6 P4 Rh2 S Zn
• Calculated formula: C123 H124 B Cl6 F7 N10 O6 P4 Rh2 S Zn
• Title of publication: Generation of a zinc and rhodium containing metallomacrocycle by rearrangement of a six-coordinate precursor complex.
• Authors of publication: Groß, C; Sun, Y.; Jost, T.; Grimm, T.; Klein, M. P.; Niedner-Schatteburg, G; Becker, S.; Thiel, W. R.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2020
• Journal volume: 56
• Journal issue: 3
• Pages of publication: 368 - 371
• a: 15.3537 ± 0.0003 Å
• b: 19.4633 ± 0.0004 Å
• c: 22.6951 ± 0.0005 Å
• α: 90.78 ± 0.002°
• β: 106.494 ± 0.002°
• γ: 109.253 ± 0.002°
• Cell volume: 6096 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 11
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0622
• Residual factor for significantly intense reflections: 0.0525
• Weighted residual factors for significantly intense reflections: 0.1525
• Weighted residual factors for all reflections included in the refinement: 0.1599
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No