Information card for entry 7017603

Structure parameters

• Formula: C44 H46 B2 Co F8 N4 P2 S2
• Calculated formula: C44 H46 B1.998 Co F7.992 N4 P2 S2
• Title of publication: Hemilabile and reversible carbon monoxide binding properties of iron(II), cobalt(II) and nickel(II) complexes containing a new tridentate P-S-N ligand.
• Authors of publication: Tate, Christopher W.; deMello, Andrew; Gee, Antony D.; Kealey, Steven; Vilar, Ramon; White, Andrew J. P.; Long, Nicholas J.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 1
• Pages of publication: 83 - 89
• a: 11.3729 ± 0.0004 Å
• b: 12.5243 ± 0.0004 Å
• c: 17.5572 ± 0.0006 Å
• α: 87.578 ± 0.003°
• β: 79.92 ± 0.003°
• γ: 68.689 ± 0.003°
• Cell volume: 2293.22 ± 0.14 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0459
• Residual factor for significantly intense reflections: 0.0427
• Weighted residual factors for significantly intense reflections: 0.1099
• Weighted residual factors for all reflections included in the refinement: 0.112
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No