Information card for entry 2241601

Structure parameters

• Chemical name: Tetrakis[μ~2~-2-(dimethylamino)ethanolato-κ^3^<i>N</i>,<i>O</i>:<i>O</i>]di-μ~3~-hydroxido-dithiocyanato-κ^2^<i>N</i>-dichromium(III)dilead(II) dithiocyanate acetonitrile monosolvate
• Formula: C22 H45 Cr2 N9 O6 Pb2 S4
• Calculated formula: C20 H42 Cr2 N8 O6 Pb2 S4
• SMILES: C(=N[Cr]1234[N](CC[O]2[Pb]2[N](CC[O]2[Cr]2([OH]3)(N=C=S)([N](CC[O]2[Pb]2[N](CC[O]12)(C)C)(C)C)[OH]4)(C)C)(C)C)=S.C(#N)[S-].C(#N)[S-]
• Title of publication: Crystal structure of tetrakis[μ~2~-2-(dimethylamino)ethanolato-κ^3^<i>N</i>,<i>O</i>:<i>O</i>]di-μ~3~-hydroxido-dithiocyanato-κ^2^<i>N</i>-dichromium(III)dilead(II) dithiocyanate acetonitrile monosolvate
• Authors of publication: Rusanova, Julia A.; Semenaka, Valentyna V.; Omelchenko, Irina V.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2016
• Journal volume: 72
• Journal issue: 4
• Pages of publication: 489 - 491
• a: 17.533 ± 0.001 Å
• b: 13.8815 ± 0.0007 Å
• c: 16.6179 ± 0.0008 Å
• α: 90°
• β: 104.771 ± 0.006°
• γ: 90°
• Cell volume: 3910.9 ± 0.4 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 7
• 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: 0.0594
• Residual factor for significantly intense reflections: 0.0349
• Weighted residual factors for significantly intense reflections: 0.0526
• Weighted residual factors for all reflections included in the refinement: 0.058
• Goodness-of-fit parameter for all reflections included in the refinement: 0.928
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes