Information card for entry 7013225

Structure parameters

• Common name: (Co(6-(anthracen-9-ylmethyl)-1,4,8,11- tetraazacyclotetradecane-5,7-dione)Cl2)Cl
• Chemical name: [Co(6-(anthracen-9-ylmethyl)-1,4,8,11-tetraazacyclotetradecane-5,7-dione)Cl2]Cl
• Formula: C25.5 H32 Cl3 Co N4 O2.5
• Calculated formula: C25.536 H30 Cl3 Co N4 O2.536
• Title of publication: Synthesis, structural studies and photochemistry of cobalt(iii) complexes of anthracenylcyclam macrocyclesElectronic supplementary information (ESI) available: Selected bond lengths and angles and ORTEP diagrams for compound 8 and complexes [Co(3)Cl2]Cl�4H2O, [Co(12)Cl2] and [Co(2)Cl2]Cl�0.5CH3OH. See http://www.rsc.org/suppdata/dt/b3/b305773a/
• Authors of publication: Funston, Alison M.; Ghiggino, Kenneth P.; Grannas, Martin J.; David McFadyen, W.; Tregloan, Peter A.
• Journal of publication: Dalton Transactions
• Year of publication: 2003
• Journal issue: 19
• Pages of publication: 3704
• a: 10.408 ± 0.004 Å
• b: 10.8133 ± 0.0008 Å
• c: 12.018 ± 0.007 Å
• α: 93.22 ± 0.03°
• β: 107.21 ± 0.05°
• γ: 94.824 ± 0.015°
• Cell volume: 1282.8 ± 1 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0609
• Residual factor for significantly intense reflections: 0.0489
• Weighted residual factors for significantly intense reflections: 0.1313
• Weighted residual factors for all reflections included in the refinement: 0.139
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No