Information card for entry 2006208

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: 7.7374 ± 0.0013 Å
• b: 8.5142 ± 0.0014 Å
• c: 9.0238 ± 0.0009 Å
• α: 65.777 ± 0.012°
• β: 69.777 ± 0.011°
• γ: 83.54 ± 0.013°
• Cell volume: 508.41 ± 0.14 ų
• Cell temperature: 288 ± 1 K
• Ambient diffraction temperature: 288 ± 1 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: 0.0395
• Residual factor for significantly intense reflections: 0.0387
• Weighted residual factors for all reflections: 0.1037
• Weighted residual factors for significantly intense reflections: 0.1029
• Goodness-of-fit parameter for all reflections: 1.045
• Goodness-of-fit parameter for significantly intense reflections: 1.047
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CopperKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No