Information card for entry 1551691

Structure parameters

• Chemical name: bis(O-propyldithiocarbonato-k2S,S?)(3,5-lutidine-kN)nickel(II)
• Formula: C22 H32 N2 Ni O2 S4
• Calculated formula: C22 H32 N2 Ni O2 S4
• SMILES: c1c(cc(c[n]1[Ni]12([S]=C(OCCC)S1)([n]1cc(cc(c1)C)C)[S]=C(OCCC)S2)C)C
• Title of publication: Crystal Structure of Bis(O-propyldithiocarbonato-^|^kappa;2S,S^|^prime;)(3,5-lutidine-^|^kappa;N)nickel(II)
• Authors of publication: SHARMA, Neerupama; SINGH, Kuldeep; 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: 19
• a: 7.008 ± 0.005 Å
• b: 9.546 ± 0.005 Å
• c: 10.621 ± 0.005 Å
• α: 87.484 ± 0.005°
• β: 72.927 ± 0.005°
• γ: 75.686 ± 0.005°
• Cell volume: 657.8 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0501
• Residual factor for significantly intense reflections: 0.0371
• Weighted residual factors for significantly intense reflections: 0.0872
• Weighted residual factors for all reflections included in the refinement: 0.0961
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No