Information card for entry 2232216

Structure parameters

• Chemical name: Bis{μ-(<i>E</i>)-methyl 4-[(2-carbamothioylhydrazinylidene)methyl]benzoate- κ^2^<i>S</i>:<i>S</i>}bis[iodido(triphenylphosphane-κ<i>P</i>)copper(I)]
• Formula: C56 H52 Cu2 I2 N6 O4 P2 S2
• Calculated formula: C56 H52 Cu2 I2 N6 O4 P2 S2
• SMILES: c1(ccccc1)[P](c1ccccc1)(c1ccccc1)[Cu]12(I)[S](=C(N)NN=Cc3ccc(C(=O)OC)cc3)[Cu]2(I)([P](c2ccccc2)(c2ccccc2)c2ccccc2)[S]1=C(N)NN=Cc1ccc(C(=O)OC)cc1
• Title of publication: Bis{μ-(<i>E</i>)-methyl 4-[(2-carbamothioylhydrazinylidene)methyl]benzoate-κ^2^<i>S</i>:<i>S</i>}bis[iodido(triphenylphosphane-κ<i>P</i>)copper(I)]
• Authors of publication: Mandal, Soumik; Nethi, Vamsidhar; Gupta, Parna
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 11
• Pages of publication: m1535
• a: 9.6319 ± 0.0016 Å
• b: 11.945 ± 0.002 Å
• c: 13.581 ± 0.004 Å
• α: 108.627 ± 0.004°
• β: 101.655 ± 0.004°
• γ: 105.044 ± 0.003°
• Cell volume: 1358.9 ± 0.5 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0601
• Residual factor for significantly intense reflections: 0.036
• Weighted residual factors for significantly intense reflections: 0.0664
• Weighted residual factors for all reflections included in the refinement: 0.073
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes