Information card for entry 2006209

Structure parameters

• Common name: trans-diisothiocyanato(cyclam)chromium(III) perchlorate
• Chemical name: trans-diisothiocyanato(1,4,8,11-tetraazacyclotetradecane)chromium(III) perchlorate
• Formula: C12 H24 Cl Cr N6 O4 S2
• Calculated formula: C12 H24 Cl Cr N6 O4 S2
• Title of publication: <i>cis</i>-and <i>trans</i>-Diisothiocyanato(1,4,8,11-tetraazacyclotetradecane)chromium(III) Perchlorate
• Authors of publication: Friesen, Duane A.; Quail, J. Wilson; Waltz, William L.; Nashiem, Rodney E.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1997
• Journal volume: 53
• Journal issue: 6
• Pages of publication: 687 - 691
• a: 7.6925 ± 0.0014 Å
• b: 8.471 ± 0.002 Å
• c: 8.9387 ± 0.0008 Å
• α: 65.93 ± 0.015°
• β: 69.87 ± 0.012°
• γ: 83.86 ± 0.02°
• Cell volume: 498.96 ± 0.17 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0306
• Residual factor for significantly intense reflections: 0.03
• Weighted residual factors for all reflections: 0.0817
• Weighted residual factors for significantly intense reflections: 0.0811
• Goodness-of-fit parameter for all reflections: 1.079
• Goodness-of-fit parameter for significantly intense reflections: 1.079
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No