Information card for entry 2240743

Structure parameters

• Chemical name: <i>trans</i>-Bis(ethane-1,2-diamine-κ^2^<i>N</i>,<i>N</i>')bis(thiocyanato-κ<i>N</i>)chromium(III) perchlorate
• Formula: C6 H16 Cl Cr N6 O4 S2
• Calculated formula: C6 H16 Cl Cr N6 O4 S2
• Title of publication: Crystal structure of <i>trans</i>-bis(ethane-1,2-diamine-κ^2^<i>N</i>,<i>N</i>')bis(thiocyanato-κ<i>N</i>)chromium(III) perchlorate 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: 6
• Pages of publication: 650 - 653
• a: 15.599 ± 0.003 Å
• b: 7.444 ± 0.0015 Å
• c: 13.792 ± 0.003 Å
• α: 90°
• β: 105.83 ± 0.03°
• γ: 90°
• Cell volume: 1540.8 ± 0.6 ų
• Cell temperature: 260 ± 2 K
• Ambient diffraction temperature: 260 ± 2 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: 0.0614
• Residual factor for significantly intense reflections: 0.0599
• Weighted residual factors for significantly intense reflections: 0.1763
• Weighted residual factors for all reflections included in the refinement: 0.1783
• Goodness-of-fit parameter for all reflections included in the refinement: 1.093
• Diffraction radiation wavelength: 0.63 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes