Information card for entry 2007347

Structure parameters

• Chemical name: Trans-dichloro-[(1RS,4RS,5SR,7RS,8SR,11SR,12RS,14SR)-5,7,12,14- tetramethyl-1,4,8,11-tetraazacyclotetradecane]cobalt(III) perchlorate
• Formula: C14 H32 Cl3 Co N4 O4
• Calculated formula: C14 H32 Cl3 Co N4 O4
• SMILES: C1[NH]2[C@H](C[C@@H](C)[NH]3[Co]42(Cl)([NH](C1)[C@H](C[C@@H](C)[NH]4CC3)C)Cl)C.[O-]Cl(=O)(=O)=O
• Title of publication: <i>trans</i>-Dichloro[(1<i>RS</i>,4<i>RS</i>,5<i>SR</i>,7<i>RS</i>,8<i>SR</i>,11<i>SR</i>,12<i>RS</i>,14<i>SR</i>)-5,7,12,14-tetramethyl-1,4,8,11-tetraazacyclotetradecane-κ^4^<i>N</i>]cobalt(III) Perchlorate
• Authors of publication: Panneerselvam, Kaliyamoorthy; Lu, Tian-Huey; Tung, Shu-Fang; Liu, Guey-Sung; Chi, Ta-Yung; Chung, Chung-Sun
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1998
• Journal volume: 54
• Journal issue: 6
• Pages of publication: 714 - 716
• a: 7.711 ± 0.002 Å
• b: 7.711 ± 0.002 Å
• c: 17.076 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1015.3 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 84
• Hermann-Mauguin space group symbol: P 42/m
• Hall space group symbol: -P 4c
• Residual factor for all reflections: 0.06
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for all reflections: 0.133
• Weighted residual factors for significantly intense reflections: 0.116
• Goodness-of-fit parameter for all reflections: 1.318
• Goodness-of-fit parameter for significantly intense reflections: 1.325
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No