Information card for entry 7114382

Structure parameters

• Formula: C16 H26 N2 Ni O5 P2 S4
• Calculated formula: C16 H26 N2 Ni O5 P2 S4
• SMILES: [Ni]12([S]=P(S1)(c1ccc(OC)cc1)O)[S]=P(S2)(c1ccc(OC)cc1)O.C(CN)N.O
• Title of publication: An unprecedented example of a cis-phosphonodithioato nickel(ii) complex built by an extensive hydrogen bonding supramolecular network
• Authors of publication: Albano, Vincenzo G.; Aragoni, M. Carla; Arca, Massimiliano; Castellari, Carlo; Demartin, Francesco; Devillanova, Francesco A.; Isaia, Francesco; Lippolis, Vito; Loddo, Laura; Verani, Gaetano
• Journal of publication: Chemical Communications
• Year of publication: 2002
• Journal issue: 11
• Pages of publication: 1170
• a: 7.085 ± 0.002 Å
• b: 16.205 ± 0.01 Å
• c: 10.55 ± 0.01 Å
• α: 90 ± 0.06°
• β: 96.62 ± 0.03°
• γ: 90 ± 0.04°
• Cell volume: 1203.2 ± 1.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 c 1
• Hall space group symbol: P -2yc
• Residual factor for all reflections: 0.0338
• Residual factor for significantly intense reflections: 0.0276
• Weighted residual factors for significantly intense reflections: 0.071
• Weighted residual factors for all reflections included in the refinement: 0.074
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No