Information card for entry 2311364

Structure parameters

• Chemical name: Bis(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')(1,3-thiazole-2-thiolato-κ^2^<i>S</i>^2^,<i>N</i>)nickel(II) hexafluoridophosphate 1,4-dioxane sesquisolvate
• Formula: C33 H30 F6 N5 Ni O3 P S2
• Calculated formula: C33 H30 F6 N5 Ni O3 P S2
• Title of publication: Crystal structure of bis-(1,10-phenanthroline-κ²<i>N</i>,<i>N</i>')(1,3-thia-zole-2-thiol-ato-κ²<i>S</i>²,<i>N</i>)nickel(II) hexa-fluorido-phosphate 1,4-dioxane sesquisolvate.
• Authors of publication: Kai, Keisuke; Hamaguchi, Tomohiko; Ando, Isao
• Journal of publication: Acta crystallographica. Section E, Crystallographic communications
• Year of publication: 2017
• Journal volume: 73
• Journal issue: Pt 4
• Pages of publication: 590 - 593
• a: 9.18 ± 0.0002 Å
• b: 12.146 ± 0.0002 Å
• c: 14.9005 ± 0.0003 Å
• α: 88.49 ± 0.002°
• β: 89.166 ± 0.002°
• γ: 83.278 ± 0.002°
• Cell volume: 1649.31 ± 0.06 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0519
• Residual factor for significantly intense reflections: 0.0412
• Weighted residual factors for significantly intense reflections: 0.0889
• Weighted residual factors for all reflections included in the refinement: 0.0941
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No