Information card for entry 7021646

Structure parameters

• Common name: tris(trimethylphosphine)-mer-bis(3,5-bis (trifluoromethyl)pyrzolate)cobalt(ii)
• Chemical name: tris(trimethylphosphine)-mer-bis(3,5-bis (trifluoromethyl)pyrzolate)cobalt(ii)
• Formula: C19 H29 Co F12 N4 P3
• Calculated formula: C19 H29 Co F12 N4 P3
• SMILES: [Co]([P](C)(C)C)([P](C)(C)C)([P](C)(C)C)(n1nc(cc1C(F)(F)F)C(F)(F)F)n1nc(cc1C(F)(F)F)C(F)(F)F
• Title of publication: Synthesis and structures of Co bis-trifluoromethylpyrazolate complexes.
• Authors of publication: Rivers, Joseph H.; Jones, Richard A.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 36
• Pages of publication: 12898 - 12907
• a: 9.3916 ± 0.0008 Å
• b: 15.6362 ± 0.0012 Å
• c: 19.3585 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2842.8 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0469
• Residual factor for significantly intense reflections: 0.0388
• Weighted residual factors for significantly intense reflections: 0.0781
• Weighted residual factors for all reflections included in the refinement: 0.081
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No