Information card for entry 2012365

Structure parameters

• Chemical name: Bis(benzenethiolato)(2,9-dimethyl-1,10-phenanthroline)cadmium(II)
• Formula: C26 H22 Cd N2 S2
• Calculated formula: C26 H22 Cd N2 S2
• SMILES: [Cd]1(Sc2ccccc2)(Sc2ccccc2)[n]2c(ccc3ccc4ccc([n]1c4c23)C)C
• Title of publication: Bis(benzenethiolato-<i>S</i>)(2,9-dimethyl-1,10-phenanthroline-<i>N</i>,<i>N</i>')cadmium(II)
• Authors of publication: Wacholtz, William F.; Mague, Joel T.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 12
• Pages of publication: 1400 - 1402
• a: 14.164 ± 0.002 Å
• b: 12.034 ± 0.002 Å
• c: 27.648 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4712.6 ± 1.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1275
• Residual factor for significantly intense reflections: 0.035
• Weighted residual factors for significantly intense reflections: 0.0839
• Weighted residual factors for all reflections included in the refinement: 0.1023
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes