Information card for entry 7023633

Structure parameters

• Formula: C24 H28 Cl2 N5 Rh
• Calculated formula: C24 H28 Cl2 N5 Rh
• SMILES: [Rh]12345(n6nnnc6C)([n]6ccccc6c6c1cccc6)[c]1([c]2([c]3([c]4([c]51C)C)C)C)C.ClCCl
• 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: 34.5018 ± 0.0019 Å
• b: 7.6323 ± 0.0005 Å
• c: 22.3074 ± 0.0015 Å
• α: 90°
• β: 125.421 ± 0.002°
• γ: 90°
• Cell volume: 4786.9 ± 0.5 ų
• Cell temperature: 191 ± 2 K
• Ambient diffraction temperature: 191 ± 2 K
• Number of distinct elements: 5
• 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: 0.0275
• Residual factor for significantly intense reflections: 0.0246
• Weighted residual factors for significantly intense reflections: 0.0618
• Weighted residual factors for all reflections included in the refinement: 0.0666
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No