Information card for entry 2001538

Structure parameters

• Formula: C11 H24 Cl2 Cr N5 S
• Calculated formula: C11 H24 Cl2 Cr N5 S
• Title of publication: Structures of chromium(III) cyclam complexes. 5. Structure of <i>trans</i>-dichloro(1,4,8,11-tetraazacyclotetradecane)chromium(III) isothiocyanate
• Authors of publication: Bouckaert, J.; Maes, D.; Lisgarten, J. N.; Chattopadhyay, T. K.; Palmer, R. A.; Mazid, M. A.; Gazi, D. M.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1993
• Journal volume: 49
• Journal issue: 7
• Pages of publication: 1361 - 1363
• a: 11.7 ± 0.001 Å
• b: 10.878 ± 0.001 Å
• c: 12.892 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1640.8 ± 0.2 ų
• Cell temperature: 293 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P c a b
• Hall space group symbol: -P 2bc 2ac
• Residual factor for significantly intense reflections: 0.036
• Weighted residual factors for significantly intense reflections: 0.036
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No