Information card for entry 7005376

Structure parameters

• Formula: C58.25 H63.25 Cl6.75 Co2 N4 O8.5
• Calculated formula: C58.25 H62 Cl6.75 Co2 N4 O8.5
• Title of publication: Neutral (bis-beta-diketonato) iron(III), cobalt(II), nickel(II), copper(II) and zinc(II) metallocycles: structural, electrochemical and solvent extraction studies.
• Authors of publication: Clegg, Jack K.; Bray, David J.; Gloe, Kerstin; Gloe, Karsten; Hayter, Michael J.; Jolliffe, Katrina A.; Lawrance, Geoffrey A.; Meehan, George V.; McMurtrie, John C.; Lindoy, Leonard F.; Wenzel, Marco
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2007
• Journal issue: 17
• Pages of publication: 1719 - 1730
• a: 39.887 ± 0.003 Å
• b: 14.955 ± 0.0012 Å
• c: 22.318 ± 0.0018 Å
• α: 90°
• β: 113.966 ± 0.001°
• γ: 90°
• Cell volume: 12165.2 ± 1.7 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1084
• Residual factor for significantly intense reflections: 0.0685
• Weighted residual factors for significantly intense reflections: 0.133
• Weighted residual factors for all reflections included in the refinement: 0.1506
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No