Information card for entry 7007314

Structure parameters

• Formula: C48.5 H53.25 B Ir N8 O0.38
• Calculated formula: C48.5 H53.25 B Ir N8 O0.375
• Title of publication: Rhodium(I) and iridium(I) complexes of pyrazolyl-N-heterocyclic carbene ligands.
• Authors of publication: Messerle, Barbara A.; Page, Michael J.; Turner, Peter
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2006
• Journal issue: 32
• Pages of publication: 3927 - 3933
• a: 31.705 ± 0.006 Å
• b: 13.512 ± 0.003 Å
• c: 24.585 ± 0.005 Å
• α: 90°
• β: 117.508 ± 0.003°
• γ: 90°
• Cell volume: 9341 ± 3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0735
• Residual factor for significantly intense reflections: 0.0375
• Weighted residual factors for significantly intense reflections: 0.0823
• Weighted residual factors for all reflections included in the refinement: 0.0916
• Goodness-of-fit parameter for all reflections included in the refinement: 1.213
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No