Information card for entry 7028855

Structure parameters

• Formula: C66 H55 Cl7 Ir2 N8 O
• Calculated formula: C66 H52 Cl7 Ir2 N8 O
• Title of publication: Chloride ion impact on materials for light-emitting electrochemical cells.
• Authors of publication: Schneider, Gabriel E.; Bolink, Henk J.; Constable, Edwin C.; Ertl, Cathrin D.; Housecroft, Catherine E.; Pertegàs, Antonio; Zampese, Jennifer A.; Kanitz, Andreas; Kessler, Florian; Meier, Sebastian B.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 5
• Pages of publication: 1961 - 1964
• a: 37.3549 ± 0.0008 Å
• b: 9.4126 ± 0.0002 Å
• c: 18.9672 ± 0.0005 Å
• α: 90°
• β: 113.34 ± 0.001°
• γ: 90°
• Cell volume: 6123.3 ± 0.2 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 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: 0.0303
• Residual factor for significantly intense reflections: 0.0263
• Weighted residual factors for significantly intense reflections: 0.0646
• Weighted residual factors for all reflections included in the refinement: 0.0676
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No