Information card for entry 7018537

Structure parameters

• Formula: C31 H32 N7 P S2 Zn
• Calculated formula: C31 H32 N7 P S2 Zn
• SMILES: [Zn]123(SC(Nc4ccccc4)=N[N]2=C(C(=[N]3N=C(S1)N(C)C)C)C)[n]1cc(P(c2ccccc2)c2ccccc2)ccc1
• Title of publication: Bis-(thiosemicarbazonato) Zn(ii) complexes as building blocks for construction of supramolecular catalysts.
• Authors of publication: Bocokić, Vladica; Lutz, Martin; Spek, Anthony L.; Reek, Joost N. H.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 13
• Pages of publication: 3740 - 3750
• a: 11.1142 ± 0.0008 Å
• b: 11.1774 ± 0.0009 Å
• c: 13.0986 ± 0.0008 Å
• α: 81.434 ± 0.003°
• β: 84.669 ± 0.004°
• γ: 78.433 ± 0.002°
• Cell volume: 1573 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1219
• Residual factor for significantly intense reflections: 0.0867
• Weighted residual factors for significantly intense reflections: 0.199
• Weighted residual factors for all reflections included in the refinement: 0.2191
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No