Information card for entry 2311672

Structure parameters

• Formula: C46 H54 Co N2 O4 P2 S4
• Calculated formula: C46 H54 Co N2 O4 P2 S4
• SMILES: c1cc(cc[n]1[Co]12([n]3ccc(cc3)CC)([S]=P(Oc3cc(C)cc(C)c3)(Oc3cc(C)cc(C)c3)S2)[S]=P(Oc2cc(C)cc(C)c2)(Oc2cc(C)cc(C)c2)S1)CC
• Title of publication: Synthesis and structural elucidation of new complexes of 2,4- and 3,5-dimethyl diphenyldithiophosphates with cobalt(II).
• Authors of publication: Kumar, Sandeep; Khajuria, Ruchi; Jassal, Amanpreet Kaur; Hundal, Maninder S.; Pandey, Sushil K.
• Journal of publication: Acta crystallographica Section B, Structural science, crystal engineering and materials
• Year of publication: 2015
• Journal volume: 71
• Journal issue: Pt 2
• Pages of publication: 221 - 227
• a: 9.5631 ± 0.0007 Å
• b: 9.8309 ± 0.0006 Å
• c: 14.2326 ± 0.0009 Å
• α: 99.29 ± 0.003°
• β: 98.602 ± 0.003°
• γ: 112.994 ± 0.003°
• Cell volume: 1181.83 ± 0.14 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0548
• Residual factor for significantly intense reflections: 0.0364
• Weighted residual factors for significantly intense reflections: 0.0838
• Weighted residual factors for all reflections included in the refinement: 0.0921
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No