Information card for entry 2241991

Structure parameters

• Chemical name: Bis[<i>cis</i>-(1,4,8,11-tetraazacyclotetradecane-κ^4^<i>N</i>)bis(thiocyanato-κ<i>N</i>)chromium(III)] dichromate monohydrate
• Formula: C24 H50 Cr4 N12 O8 S4
• Calculated formula: C24 H50 Cr4 N12 O8 S4
• Title of publication: Crystal structure of bis[<i>cis</i>-(1,4,8,11-tetraazacyclotetradecane-κ^4^<i>N</i>)(thiocyanato-κ<i>N</i>)chromium(III)] dichromate monohydrate from synchrotron X-ray diffraction data
• Authors of publication: Moon, Dohyun; Takase, Masahiro; Akitsu, Takashiro; Choi, Jong-Ha
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2017
• Journal volume: 73
• Journal issue: 1
• Pages of publication: 72 - 75
• a: 16.044 ± 0.002 Å
• b: 16.221 ± 0.002 Å
• c: 15.041 ± 0.002 Å
• α: 90°
• β: 93.335 ± 0.003°
• γ: 90°
• Cell volume: 3907.8 ± 0.9 ų
• Cell temperature: 243 ± 2 K
• Ambient diffraction temperature: 243 ± 2 K
• Number of distinct elements: 6
• 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: 0.0658
• Residual factor for significantly intense reflections: 0.0462
• Weighted residual factors for significantly intense reflections: 0.1386
• Weighted residual factors for all reflections included in the refinement: 0.1475
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.62 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes