Information card for entry 4300864

Structure parameters

• Common name: Se-Se-N gallate
• Chemical name: 3H-naphtho[1,2-d][1,2,3]diselenazolylium tetrachlorogallate
• Formula: C10 H6 Cl4 Ga N Se2
• Calculated formula: C10 H6 Cl4 Ga N Se2
• SMILES: [Ga](Cl)(Cl)(Cl)[Cl-].[Se]1[Se+]=Nc2ccc3c(c12)cccc3
• Title of publication: Naphthalene-1,2,3-Dithiazolyl and Its Selenium-Containing Variants
• Authors of publication: Richard T. Oakley; Robert W. Reed; Craig M. Robertson; John F. Richardson
• Journal of publication: Inorganic Chemistry
• Year of publication: 2005
• Journal volume: 44
• Pages of publication: 1837 - 1845
• a: 7.79 ± 0.004 Å
• b: 10.009 ± 0.005 Å
• c: 10.109 ± 0.005 Å
• α: 100.53 ± 0.007°
• β: 104.778 ± 0.008°
• γ: 92.76 ± 0.008°
• Cell volume: 745.6 ± 0.7 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0742
• Residual factor for significantly intense reflections: 0.0444
• Weighted residual factors for significantly intense reflections: 0.1002
• Weighted residual factors for all reflections included in the refinement: 0.1117
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No