Information card for entry 8105476

Structure parameters

• Formula: C35 H30 K N6 O2 S2
• Calculated formula: C35 H30 K N6 O2 S2
• Title of publication: Crystal structure of catena{(μ2-1,10-phenanthroline-κ4 N,N,N′,N′)-(μ2-1,10-phenanthroline-κ3 N,N,N′)potassium(I) {[bis(2-hydroxyethyl)iminiumyl](sulfanidyl)methyl}sulfanide hemi(1,10-phenanthroline)}, {C24H16KN4, 0.5(C12H8N2), C5H10NO2S2}
• Authors of publication: Lo, Kong Mun; Lee, See Mun; Tiekink, Edward R.T.
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2020
• Journal volume: 235
• Journal issue: 6
• Pages of publication: 1395 - 1397
• a: 32.8001 ± 0.0004 Å
• b: 7.1562 ± 0.0001 Å
• c: 26.04 ± 0.0003 Å
• α: 90°
• β: 94.385 ± 0.001°
• γ: 90°
• Cell volume: 6094.32 ± 0.13 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.032
• Residual factor for significantly intense reflections: 0.0315
• Weighted residual factors for significantly intense reflections: 0.0908
• Weighted residual factors for all reflections included in the refinement: 0.0911
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No