Information card for entry 7016992

Structure parameters

• Formula: C100.2 H66.4 B2 Cl0.4 F48 Ir2 N8
• Calculated formula: C100.2 H66.4 B2 Cl0.4 F48 Ir2 N8
• Title of publication: Synthesis and structures of homo- and heterobimetallic rhodium(i) and/or iridium(i) complexes of binucleating bis(1-pyrazolyl)methane ligands.
• Authors of publication: Ho, Joanne H. H.; Wagler, Jörg; Willis, Anthony C.; Messerle, Barbara A.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 41
• Pages of publication: 11031 - 11042
• a: 13.1567 ± 0.0003 Å
• b: 26.1697 ± 0.0005 Å
• c: 15.2518 ± 0.0003 Å
• α: 90°
• β: 103.404 ± 0.001°
• γ: 90°
• Cell volume: 5108.25 ± 0.18 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0505
• Residual factor for significantly intense reflections: 0.0329
• Weighted residual factors for significantly intense reflections: 0.0716
• Weighted residual factors for all reflections included in the refinement: 0.0757
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No