Information card for entry 2231072

Structure parameters

• Chemical name: Diammine(2,2'-bipyridine)bis(thiocyanato-κ<i>N</i>)cobalt(III) diamminetetrakis(thiocyanato-κ<i>N</i>)chromate(III) acetonitrile disolvate
• Formula: C20 H26 Co Cr N14 S6
• Calculated formula: C20 H26 Co Cr N14 S6
• SMILES: C(=N[Co]1([n]2c(cccc2)c2cccc[n]12)([NH3])(N=C=S)[NH3])=S.C(#N)C.[Cr](N=C=S)(N=C=S)(N=C=S)(N=C=S)([NH3])[NH3].C(#N)C
• Title of publication: Diammine(2,2'-bipyridine)bis(thiocyanato-κ<i>N</i>)cobalt(III) diamminetetrakis(thiocyanato-κ<i>N</i>)chromate(III) acetonitrile disolvate
• Authors of publication: Semenaka, Valentyna V.; Nesterova, Oksana V.; Kokozay, Volodymyr N.; Zybatyuk, Roman I.; Shishkin, Oleg V.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 8
• Pages of publication: m1021 - m1022
• a: 13.2923 ± 0.0007 Å
• b: 10.7155 ± 0.0003 Å
• c: 13.8745 ± 0.0007 Å
• α: 90°
• β: 118.592 ± 0.006°
• γ: 90°
• Cell volume: 1735.2 ± 0.17 ų
• Cell temperature: 100.15 K
• Ambient diffraction temperature: 100.15 K
• Number of distinct elements: 6
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/c 1
• Hall space group symbol: -P 2yc
• Residual factor for all reflections: 0.0542
• Residual factor for significantly intense reflections: 0.0375
• Weighted residual factors for significantly intense reflections: 0.0776
• Weighted residual factors for all reflections included in the refinement: 0.0843
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes