Information card for entry 2206471

Structure parameters

• Chemical name: mer-Bis(2,3-dimethyl-5-oxo-1-phenyl-2,5-dihydro-1H-pyrazole-4-carbaldehyde 4,4-dimethylthiosemicarbazonato-κ^3^S,N,O)cobalt(III) tetrafluoroborate
• Formula: C30 H36 B Co F4 N10 O2 S2
• Calculated formula: C30 H36 B Co F4 N10 O2 S2
• Title of publication: <i>mer</i>-Bis(2,3-dimethyl-5-oxo-1-phenyl-2,5-dihydro-1<i>H</i>-pyrazole-4-carbaldehyde 4,4-dimethylthiosemicarbazonato-κ^3^<i>S</i>,<i>N</i>,<i>O</i>)cobalt(III) tetrafluoroborate
• Authors of publication: Valdés Martínez, Jesús; Hernández-Ortega, Simón; West, Douglas X.; El-Sawaf, Ayman K.; El-Bahanasawy, Ramadan M.; El-Saied, Fathy A.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 8
• Pages of publication: m1593 - m1594
• a: 15.1182 ± 0.001 Å
• b: 14.0027 ± 0.0009 Å
• c: 17.3551 ± 0.0012 Å
• α: 90°
• β: 107.173 ± 0.002°
• γ: 90°
• Cell volume: 3510.2 ± 0.4 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0581
• Residual factor for significantly intense reflections: 0.0432
• Weighted residual factors for significantly intense reflections: 0.1048
• Weighted residual factors for all reflections included in the refinement: 0.1089
• Goodness-of-fit parameter for all reflections included in the refinement: 0.94
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes