Information card for entry 2223799

Structure parameters

• Chemical name: <i>catena</i>-Poly[[bis(<i>O</i>,<i>O</i>'-diisopropyl dithiophosphato-κ^2^<i>S</i>,<i>S</i>')nickel(II)]-μ-bis(4- pyridylmethylene)diazane-κ^2^<i>N</i>:<i>N</i>']
• Formula: C24 H38 N4 Ni O4 P2 S4
• Calculated formula: C24 H38 N4 Ni O4 P2 S4
• SMILES: [Ni]12([S]=P(S1)(OC(C)C)OC(C)C)([S]=P(S2)(OC(C)C)OC(C)C)([n]1ccc(cc1)/C=N/N=C/c1cc[n](cc1)[Ni]12([S]=P(S2)(OC(C)C)OC(C)C)[S]=P(S1)(OC(C)C)OC(C)C)[n]1ccc(cc1)/C=N/N=C/c1ccncc1
• Title of publication: <i>catena</i>-Poly[[bis(<i>O</i>,<i>O</i>'-diisopropyl dithiophosphato-κ^2^<i>S</i>,<i>S</i>')nickel(II)]-μ-bis(4-pyridylmethylene)diazane-κ^2^<i>N</i>:<i>N</i>']
• Authors of publication: Berdugo, Erick; Tiekink, Edward R. T.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 11
• Pages of publication: m1444 - m1445
• a: 8.661 ± 0.002 Å
• b: 8.753 ± 0.002 Å
• c: 11.159 ± 0.003 Å
• α: 88.11 ± 0.008°
• β: 81.502 ± 0.007°
• γ: 89.813 ± 0.01°
• Cell volume: 836.2 ± 0.4 ų
• Cell temperature: 98 ± 2 K
• Ambient diffraction temperature: 98 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.046
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for significantly intense reflections: 0.108
• Weighted residual factors for all reflections included in the refinement: 0.111
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes