Information card for entry 2008996

Structure parameters

• Formula: C154 H128 La2 N8 Ni O22 P8 S4
• Calculated formula: C154 H128 La2 N8 Ni O22 P8 S4
• SMILES: CO.C1(=C(C#N)C#N)S[Ni]2(S1)SC(=C(C#N)C#N)S2.[La]12([O]=P(c3ccccc3)(c3ccccc3)c3ccccc3)([O]=P(c3ccccc3)(c3ccccc3)c3ccccc3)(ON(=[O]1)=O)(ON(=[O]2)=O)([O]=P(c1ccccc1)(c1ccccc1)c1ccccc1)[O]=P(c1ccccc1)(c1ccccc1)c1ccccc1.CO.[La]12([O]=P(c3ccccc3)(c3ccccc3)c3ccccc3)([O]=P(c3ccccc3)(c3ccccc3)c3ccccc3)([O]=P(c3ccccc3)(c3ccccc3)c3ccccc3)([O]=P(c3ccccc3)(c3ccccc3)c3ccccc3)(ON(=[O]1)=O)ON(=[O]2)=O
• Title of publication: [La(NO~3~)~2~(Ph~3~PO)~4~]~2~[Ni(C~4~N~2~S~2~)~2~]^.^2CH~3~OH
• Authors of publication: De-Liang Long; Huai-Min Hu; Jiu-Tong Chen; Jin-Shun Huang
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 10
• Pages of publication: 1662 - 1664
• a: 14.8435 ± 0.0003 Å
• b: 14.8573 ± 0.0002 Å
• c: 18.9784 ± 0.0004 Å
• α: 107.983 ± 0.001°
• β: 96.779 ± 0.001°
• γ: 103.117 ± 0.001°
• Cell volume: 3796.28 ± 0.13 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.052
• Residual factor for significantly intense reflections: 0.035
• Weighted residual factors for all reflections included in the refinement: 0.085
• Goodness-of-fit parameter for all reflections included in the refinement: 0.971
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No