Information card for entry 2206737

Structure parameters

• Chemical name: bis(O,O'-dicyclohexyl phosphorodithioato)nickel(II)
• Formula: C24 H44 Ni O4 P2 S4
• Calculated formula: C24 H44 Ni O4 P2 S4
• SMILES: C1(CCCCC1)OP1(OC2CCCCC2)=[S][Ni]2(S1)[S]=P(OC1CCCCC1)(OC1CCCCC1)S2
• Title of publication: Redetermination of bis(<i>O</i>,<i>O</i>'-dicyclohexyl phosphorodithioato)nickel(II)
• Authors of publication: Murat Taş; Mehtap Yaĝan; Hümeyra Batı; Beki̇r Batı; Orhan Büyükgüngör
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 9
• Pages of publication: m1684 - m1685
• a: 11.7991 ± 0.0006 Å
• b: 9.355 ± 0.0005 Å
• c: 14.2138 ± 0.0008 Å
• α: 90°
• β: 96.764 ± 0.005°
• γ: 90°
• Cell volume: 1558.01 ± 0.15 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• 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: 0.0486
• Residual factor for significantly intense reflections: 0.0324
• Weighted residual factors for significantly intense reflections: 0.0784
• Weighted residual factors for all reflections included in the refinement: 0.0837
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes