Information card for entry 7133141

Structure parameters

• Formula: C140 H202 Cr2 K2 N8 O17
• Calculated formula: C140 H202 Cr2 K2 N8 O17
• Title of publication: Reduction of (pddi)Cr reveals redox noninnocence <i>via</i> C-C bond formation amidst competing electrophilicity: [(cpta)CrMe_<i>n</i>]^- (<i>n</i> = 0, 1) and [(pta)Cr]<sup/>.
• Authors of publication: D'Arpino, Alexander A; Wolczanski, Peter T.; MacMillan, Samantha N.; Cundari, Thomas R.; Krumov, Mihail R.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2024
• Journal volume: 60
• Journal issue: 53
• Pages of publication: 6785 - 6788
• a: 12.1161 ± 0.0001 Å
• b: 19.5547 ± 0.0002 Å
• c: 29.7051 ± 0.0002 Å
• α: 82.767 ± 0.001°
• β: 81.408 ± 0.001°
• γ: 78.704 ± 0.001°
• Cell volume: 6790.16 ± 0.1 ų
• Cell temperature: 100.15 K
• Ambient diffraction temperature: 100.15 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0597
• Residual factor for significantly intense reflections: 0.0564
• Weighted residual factors for significantly intense reflections: 0.1539
• Weighted residual factors for all reflections included in the refinement: 0.1568
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No