Information card for entry 7023636

Structure parameters

• Formula: C49 H61 Cl2 F6 N6 O P Rh2
• Calculated formula: C49 H49 Cl2 F6 N6 O P Rh2
• SMILES: [Rh]12345(n6nc([n]([Rh]789%10%11([n]%12ccccc%12c%12ccccc%11%12)[c]%11([c]7([c]8([c]9([c]%10%11C)C)C)C)C)n6)C)([n]6ccccc6c6ccccc56)[c]5([c]4([c]3([c]2([c]15C)C)C)C)C.ClCCl.[P](F)(F)(F)(F)(F)[F-].O(CC)CC
• Title of publication: Comparison of ancillary ligand effects between 2,2'-bipyridine and 2-(2'-pyridyl)phenyl in the linkage and bridging isomerism of 5-methyltetrazolato iridium(III) and/or rhodium(III) complexes.
• Authors of publication: Takayama, Asuka; Suzuki, Takayoshi; Ikeda, Miyu; Sunatsuki, Yukinari; Kojima, Masaaki
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 40
• Pages of publication: 14556 - 14567
• a: 13.8507 ± 0.0012 Å
• b: 14.1135 ± 0.0012 Å
• c: 14.1254 ± 0.0012 Å
• α: 114.573 ± 0.002°
• β: 96.515 ± 0.003°
• γ: 95.075 ± 0.003°
• Cell volume: 2466.7 ± 0.4 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.054
• Residual factor for significantly intense reflections: 0.0454
• Weighted residual factors for significantly intense reflections: 0.121
• Weighted residual factors for all reflections included in the refinement: 0.1291
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No