Information card for entry 2240344

Structure parameters

• Chemical name: Bis[<i>trans</i>-(ethane-1,2-diamine-κ^2^<i>N</i>,<i>N</i>')bis(thiocyanato-κ<i>N</i>)chromium(III)] tetrachloridozincate
• Formula: C12 H32 Cl4 Cr2 N12 S4 Zn
• Calculated formula: C12 H32 Cl4 Cr2 N12 S4 Zn
• SMILES: C1C[NH2][Cr]2([NH2]1)(N=C=S)([NH2]CC[NH2]2)N=C=S.C1C[NH2][Cr]2([NH2]1)([NH2]CC[NH2]2)(N=C=S)N=C=S.Cl[Zn](Cl)([Cl-])[Cl-]
• Title of publication: Crystal structure of bis[<i>trans</i>-(ethane-1,2-diamine-κ^2^<i>N</i>,<i>N</i>')bis(thiocyanato-κ<i>N</i>)chromium(III)] tetrachloridozincate from synchrotron data
• Authors of publication: Moon, Dohyun; Choi, Jong-Ha
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 1
• Pages of publication: 100 - 103
• a: 7.687 ± 0.0015 Å
• b: 13.853 ± 0.003 Å
• c: 14.56 ± 0.003 Å
• α: 92.74 ± 0.03°
• β: 92.76 ± 0.03°
• γ: 90.21 ± 0.03°
• Cell volume: 1546.9 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0182
• Residual factor for significantly intense reflections: 0.0175
• Weighted residual factors for significantly intense reflections: 0.0485
• Weighted residual factors for all reflections included in the refinement: 0.0486
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.62998 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes