Information card for entry 1544273

Structure parameters

• Chemical name: Diaquatetrakis(dimethyl sulfoxide-κ<i>O</i>)cobalt(II) bis[diamminetetrakis(thiocyanato-κ<i>N</i>)chromate(III)] dimethyl sulfoxide hexasolvate dihydrate
• Formula: C28 H80 Co Cr2 N12 O14 S18
• Calculated formula: C28 H80 Co Cr2 N12 O14 S18
• SMILES: [Co]([O]=S(C)C)([O]=S(C)C)([O]=S(C)C)([O]=S(C)C)([OH2])[OH2].[Cr](N=C=S)(N=C=S)(N=C=S)(N=C=S)([NH3])[NH3].[Cr](N=C=S)(N=C=S)(N=C=S)(N=C=S)([NH3])[NH3].S(=O)(C)C.S(=O)(C)C.S(=O)(C)C.S(=O)(C)C.S(=O)(C)C.S(=O)(C)C.O.O
• Title of publication: Diaquatetrakis(dimethyl sulfoxide-κ<i>O</i>)cobalt(II) bis[diamminetetrakis(thiocyanato-κ<i>N</i>)chromate(III)] dimethyl sulfoxide hexasolvate dihydrate
• Authors of publication: Rusanova, Julia A.; Dyakonenko, Viktoriya V.; Semenaka, Valentina V.
• Journal of publication: IUCrData
• Year of publication: 2016
• Journal volume: 1
• Journal issue: 10
• Pages of publication: x161571
• a: 11.752 ± 0.003 Å
• b: 12.212 ± 0.004 Å
• c: 13.257 ± 0.003 Å
• α: 85.95 ± 0.02°
• β: 87.98 ± 0.02°
• γ: 70.17 ± 0.02°
• Cell volume: 1785.2 ± 0.9 ų
• Cell temperature: 294 K
• Ambient diffraction temperature: 294 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1556
• Residual factor for significantly intense reflections: 0.0693
• Weighted residual factors for significantly intense reflections: 0.1616
• Weighted residual factors for all reflections included in the refinement: 0.1954
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes