Information card for entry 2239444

Structure parameters

• Chemical name: <i>trans</i>-Chloridobis(ethane-1,2-diamine-κ^2^<i>N</i>,<i>N</i>')(thiocyanato-κ<i>N</i>)cobalt(III) diamminetetrakis(thiocyanato-κ<i>N</i>)cromate(III)
• Formula: C9 H22 Cl Co Cr N11 S5
• Calculated formula: C9 H22 Cl Co Cr N11 S5
• SMILES: C1C[NH2][Co]2([NH2]1)([NH2]CC[NH2]2)(N=C=S)Cl.C(=N[Cr](N=C=S)(N=C=S)(N=C=S)([NH3])[NH3])=S
• Title of publication: <i>trans</i>-Chloridobis(ethane-1,2-diamine-κ^2^<i>N</i>,<i>N</i>')(thiocyanato-κ<i>N</i>)cobalt(III) diamminetetrakis(thiocyanato-κ<i>N</i>)cromate(III)
• Authors of publication: Rusanova, Julia A.; Semenaka, Valentyna V.; Zubatyuk, Roman I.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 3
• Pages of publication: m110 - m111
• a: 8.829 ± 0.0015 Å
• b: 10.745 ± 0.003 Å
• c: 13.275 ± 0.003 Å
• α: 106.98 ± 0.02°
• β: 93.131 ± 0.017°
• γ: 90.646 ± 0.017°
• Cell volume: 1202.2 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.0754
• Residual factor for significantly intense reflections: 0.0524
• Weighted residual factors for significantly intense reflections: 0.1325
• Weighted residual factors for all reflections included in the refinement: 0.1413
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes