Information card for entry 7052813

Structure parameters

• Formula: C71 H99 I2 N4 O4 P4 Rh2
• Calculated formula: C71 H99 I2 N4 O4 P4 Rh2
• Title of publication: The quest for stable σ-methane complexes: computational and experimental studies
• Authors of publication: Walter, Marc D.; White, Peter S.; Schauer, Cynthia K.; Brookhart, Maurice
• Journal of publication: New Journal of Chemistry
• Year of publication: 2011
• Journal volume: 35
• Journal issue: 12
• Pages of publication: 2884
• a: 11.1948 ± 0.0004 Å
• b: 12.7179 ± 0.0005 Å
• c: 14.3447 ± 0.0009 Å
• α: 100.145 ± 0.002°
• β: 102.482 ± 0.002°
• γ: 110.403 ± 0.001°
• Cell volume: 1796.98 ± 0.15 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.028
• Residual factor for significantly intense reflections: 0.0274
• Weighted residual factors for significantly intense reflections: 0.0699
• Weighted residual factors for all reflections included in the refinement: 0.0704
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No