| Empirical formula | C248H219B4Co8N24O24.50 | Formula weight | 4442.15 | Temperature | 295 K | Wavelength | 0.71073 Å | Crystal system | Triclinic | Space group (number) | P-1 (2) | Unit cell parameters | = 19.4643(5) Å, = 98.095(2)° | = 22.3372(5) Å, = 107.063(2)° | = 29.1735(5) Å, = 109.257(2)° | Cell volume | 11043.4(4) Å3 | | 2 | c | 1.336 g cm−3 | μ | 0.659 mm−1 | (000) | 4614 | Crystal size | 0.48 × 0.25 × 0.18 mm3 | range for data collection | 2.88–25.68° | Index ranges | −23 ≤ ≤ 23, −27 ≤ ≤ 26, −32 ≤ ≤ 35 | Reflections collected | 98826 | Independent reflections | 41906 (int) = 0.0725 | Completeness | 99.8% | Data/restraints/parameters | 41906/96/2772 | Goodness-of-fit on | 1.023 | indices | > 2() = 0.0816, = 0.1484 | indices (all data) | = 0.1632, = 0.1826 | Largest difference peak and hole | 0.681 and −0.350 eÅ−3 |
|
|