Information card for entry 7016991

Structure parameters

• Formula: C112 H90 B2 F48 Ir2 N8 O10
• Calculated formula: C112 H90 B2 F48 Ir2 N8 O10
• 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: 12.631 ± 0.0003 Å
• b: 13.8922 ± 0.0003 Å
• c: 18.4681 ± 0.0004 Å
• α: 95.388 ± 0.001°
• β: 100.973 ± 0.001°
• γ: 108.21 ± 0.001°
• Cell volume: 2980.9 ± 0.12 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0485
• Residual factor for significantly intense reflections: 0.0327
• Weighted residual factors for significantly intense reflections: 0.0797
• Weighted residual factors for all reflections included in the refinement: 0.0859
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No