Information card for entry 2008592

Structure parameters

• Chemical name: Bis(2'-formylphenyl)-1,4-dioxabutane S-methylbenzyl dithiocarbazate Cobalt(II)
• Formula: C32 H28 Co N4 O2 S4
• Calculated formula: C32 H28 Co N4 O2 S4
• SMILES: [Co]12345SC(SCc6ccccc6)=N[N]1=Cc1ccccc1[O]2CC[O]3c1ccccc1C=[N]4N=C(S5)SCc1ccccc1
• Title of publication: A neutral cobalt(II) complex of a Schiff base ligand containing mixed O~2~S~2~N~2~ donors
• Authors of publication: Hoong-Kun Fun; S. Shanmuga Sundara Raj; Xu-Hui Zhu; Xiao-Feng Chen; Jing-Lin Zuo; Xiao-Zeng You
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 6
• Pages of publication: 896 - 899
• a: 15.578 ± 0.001 Å
• b: 22.428 ± 0.001 Å
• c: 19.406 ± 0.001 Å
• α: 90°
• β: 108.83 ± 0.01°
• γ: 90°
• Cell volume: 6417.3 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.133
• Residual factor for significantly intense reflections: 0.059
• Weighted residual factors for all reflections: 0.109
• Weighted residual factors for all reflections included in the refinement: 0.087
• Goodness-of-fit parameter for all reflections: 1.036
• Goodness-of-fit parameter for all reflections included in the refinement: 1.145
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No