Information card for entry 2214323

Structure parameters

• Chemical name: Tetraethylammonium dichlorido[N,N'-(o-phenylene)bis(isoquinoline-2-carboxamidato)- κ^4^N]cobaltate(III)
• Formula: C34 H36 Cl2 Co N5 O2
• Calculated formula: C34 H36 Cl2 Co N5 O2
• SMILES: [Co]123(Cl)(Cl)[n]4ccc5ccccc5c4C(=O)N1c1ccccc1N2C(=O)c1[n]3ccc2c1cccc2.[N+](CC)(CC)(CC)CC
• Title of publication: Tetraethylammonium dichlorido[<i>N</i>,<i>N</i>'-(<i>o</i>-phenylene)bis(isoquinoline-2-carboxamidato)-κ^4^<i>N</i>]cobaltate(III)
• Authors of publication: Lee, Do Nam; Lee, Eun Yong; Kim, Cheal; Kim, Sung-Jin; Kim, Youngmee
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 7
• Pages of publication: m1949 - m1950
• a: 12.921 ± 0.002 Å
• b: 16.646 ± 0.003 Å
• c: 14.022 ± 0.002 Å
• α: 90°
• β: 90.625 ± 0.004°
• γ: 90°
• Cell volume: 3015.7 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.1002
• Residual factor for significantly intense reflections: 0.0498
• Weighted residual factors for significantly intense reflections: 0.0914
• Weighted residual factors for all reflections included in the refinement: 0.1023
• Goodness-of-fit parameter for all reflections included in the refinement: 0.894
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes