Information card for entry 2011664

Structure parameters

• Chemical name: Structure of hexakis(imidazole)nickel(II) bis(O,O'-disopropyl dithiophosphate)
• Formula: C30 H52 N12 Ni O4 P2 S4
• Calculated formula: C30 H52 N12 Ni O4 P2 S4
• SMILES: c1[n]([Ni]([n]2cc[nH]c2)([n]2cc[nH]c2)([n]2c[nH]cc2)([n]2c[nH]cc2)[n]2c[nH]cc2)cc[nH]1.O(P(OC(C)C)(=S)[S-])C(C)C.O(P(OC(C)C)(=S)[S-])C(C)C
• Title of publication: Hexakis(1<i>H</i>-imidazole-κ<i>N</i>^3^)nickel(II) bis[<i>O</i>,<i>O</i>'-diisopropyl dithiophosphate(1‒)]
• Authors of publication: Hao, Qingli; Jian, Fangfang; Yang, Xujie; Wang, Xin; Razak, Ibrahim Abdul; Shanmuga Sundara Raj, S.; Fun, Hoong-Kun
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2000
• Journal volume: 56
• Journal issue: 12
• Pages of publication: 1431 - 1432
• a: 24.7585 ± 0.0004 Å
• b: 11.446 ± 0.0002 Å
• c: 16.5815 ± 0.0001 Å
• α: 90°
• β: 112.689 ± 0.001°
• γ: 90°
• Cell volume: 4335.32 ± 0.11 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.121
• Residual factor for significantly intense reflections: 0.072
• Weighted residual factors for all reflections included in the refinement: 0.227
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes