Information card for entry 2211507

Structure parameters

• Chemical name: Bis(2-aminonaphthalene-1-sulfonato-κO)bis(1,10-phenanthroline- κ^2^N,N')cobalt(II)
• Formula: C44 H32 Co N6 O6 S2
• Calculated formula: C44 H32 Co N6 O6 S2
• SMILES: c1ccc2c3[n]1[Co]1(OS(=O)(=O)c4c5c(ccc4N)cccc5)([n]4c3c(cc2)ccc4)([n]2c3c4c(ccc[n]14)ccc3ccc2)OS(=O)(=O)c1c(N)ccc2ccccc12
• Title of publication: Bis(2-aminonaphthalene-1-sulfonato-κ<i>O</i>)bis(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')cobalt(II)
• Authors of publication: Jian-Hua Sun; Xin Feng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 12
• Pages of publication: m3370 - m3372
• a: 12.468 ± 0.003 Å
• b: 12.468 ± 0.003 Å
• c: 24.51 ± 0.009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3810.1 ± 1.9 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 6
• Space group number: 92
• Hermann-Mauguin space group symbol: P 41 21 2
• Hall space group symbol: P 4abw 2nw
• Residual factor for all reflections: 0.0272
• Residual factor for significantly intense reflections: 0.0239
• Weighted residual factors for significantly intense reflections: 0.0619
• Weighted residual factors for all reflections included in the refinement: 0.0628
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes