Information card for entry 2229179

Structure parameters

• Chemical name: Di-μ-thiocyanato-κ^2^<i>N</i>:<i>S</i>;κ^2^<i>S</i>:<i>N</i>- bis({2-morpholino-<i>N</i>-[1-(2-pyridyl)ethylidene]ethanamine- κ^3^<i>N</i>,<i>N</i>',<i>N</i>''}(thiocyanato-κ<i>N</i>)cadmium)
• Formula: C30 H38 Cd2 N10 O2 S4
• Calculated formula: C30 H38 Cd2 N10 O2 S4
• SMILES: c12[n]([Cd]34([N](=C2C)CC[N]23CCOCC2)(N=C=S)[S]=C=N[Cd]23([n]5ccccc5C(C)=[N]2CC[N]23CCOCC2)(N=C=S)[S]=C=N4)cccc1
• Title of publication: Di-μ-thiocyanato-κ^2^<i>N</i>:<i>S</i>;κ^2^<i>S</i>:<i>N</i>-bis({2-morpholino-<i>N</i>-[1-(2-pyridyl)ethylidene]ethanamine-κ^3^<i>N</i>,<i>N</i>',<i>N</i>''}(thiocyanato-κ<i>N</i>)cadmium)
• Authors of publication: Suleiman Gwaram, Nura; Ikmal Hisham, Nurul Azimah; Khaledi, Hamid; Mohd Ali, Hapipah
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 2
• Pages of publication: m251
• a: 7.2934 ± 0.0002 Å
• b: 26.4035 ± 0.0005 Å
• c: 10.0111 ± 0.0003 Å
• α: 90°
• β: 107.853 ± 0.003°
• γ: 90°
• Cell volume: 1835.02 ± 0.09 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.027
• Residual factor for significantly intense reflections: 0.0227
• Weighted residual factors for significantly intense reflections: 0.0454
• Weighted residual factors for all reflections included in the refinement: 0.0469
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes