Information card for entry 2004111

Structure parameters

• Formula: C34 H50 N2 Ni O4 P2 S4
• Calculated formula: C36 H52 N2 Ni O4 P2 S4
• Title of publication: The Adduct of Bis(<i>O</i>,<i>O</i>'-dibutyl dithiophosphato)nickel(II) with Isoquinoline
• Authors of publication: Xiong, R.-G.; You, X.-Z.; Huang, X.-Y.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1995
• Journal volume: 51
• Journal issue: 11
• Pages of publication: 2263 - 2265
• a: 6.86 ± 0.008 Å
• b: 18.938 ± 0.002 Å
• c: 16.224 ± 0.004 Å
• α: 90°
• β: 92.78 ± 0.07°
• γ: 90°
• Cell volume: 2105 ± 3 ų
• Cell temperature: 296 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.049
• Weighted residual factors for significantly intense reflections: 0.058
• Goodness-of-fit parameter for significantly intense reflections: 1.27
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No