Information card for entry 2011768

Structure parameters

• Chemical name: Trans-bis(aminopyridine)-bis(O,O'-diisopropyl dithiophosphato-S,S')nickel(II)
• Formula: C22 H40 N4 Ni O4 P2 S4
• Calculated formula: C22 H40 N4 Ni O4 P2 S4
• SMILES: c1(cccc[n]1[Ni]12([S]=P(OC(C)C)(OC(C)C)S1)([n]1c(cccc1)N)[S]=P(OC(C)C)(OC(C)C)S2)N
• Title of publication: <i>trans</i>-Bis(2-aminopyridine-<i>N</i>)bis(<i>O</i>,<i>O</i>'-diisopropyl dithiophosphato-<i>S</i>,<i>S</i>')nickel(II)
• Authors of publication: Hao, Qingli; Jian, Fangfang; Wang, Xin; Razak, Ibrahim Abdul; Shanmuga Sundara Raj, S.; Fun, Hoong-Kun
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 2
• Pages of publication: 160 - 161
• a: 6.6296 ± 0.0001 Å
• b: 16.3605 ± 0.0002 Å
• c: 14.6386 ± 0.0002 Å
• α: 90°
• β: 99.938 ± 0.001°
• γ: 90°
• Cell volume: 1563.93 ± 0.04 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: 0.041
• Residual factor for significantly intense reflections: 0.035
• Weighted residual factors for all reflections included in the refinement: 0.087
• Goodness-of-fit parameter for all reflections included in the refinement: 0.97
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes