Information card for entry 1551697

Structure parameters

• Chemical name: bis(O-propylxanthato)bis(3-chloropyridine)nickel(II)
• Formula: C18 H22 Cl2 N2 Ni O2 S4
• Calculated formula: C18 H22 Cl2 N2 Ni O2 S4
• SMILES: C1(OCCC)=[S][Ni]2([n]3cccc(c3)Cl)([n]3cccc(c3)Cl)([S]=C(OCCC)S2)S1
• Title of publication: Synthesis and X-ray Crystal Structure of Bis(O-propylxanthato)-bis(3-chloropyridine)nickel(II)
• Authors of publication: SINGH, Kuldeep; KOUR, Inderjeet; KOUR, Gurpreet; SACHAR, Renu; GUPTA, Vivek K.; Rajnikant,
• Journal of publication: X-ray Structure Analysis Online
• Year of publication: 2013
• Journal volume: 29
• Journal issue: 0
• Pages of publication: 15
• a: 9.4079 ± 0.0001 Å
• b: 10.7323 ± 0.0002 Å
• c: 11.7498 ± 0.0002 Å
• α: 90°
• β: 96.443 ± 0.001°
• γ: 90°
• Cell volume: 1178.87 ± 0.03 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0283
• Residual factor for significantly intense reflections: 0.023
• Weighted residual factors for significantly intense reflections: 0.057
• Weighted residual factors for all reflections included in the refinement: 0.0614
• Goodness-of-fit parameter for all reflections included in the refinement: 1.086
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No