| Empirical formula | C47H48BBr2MnN4O4 | Formula weight | 958.46 | Temperature | 100(2) K | Wavelength | 1.54178 | Crystal system | monoclinic | Space group | P21/c | Unit cell dimensions | a = 12.3798(1) Å α = 90° | | b = 12.6099(1) Å = 102.013(1)° | | = 28.9438(3) Å = 90° | Volume | 4419.41(7) Å3 | Z | 4 | Density (calculated) | 1.441 mg/m3 | Absorption coefficient | 4.924 mm−1 | F(000) | 1960 | Crystal size | 0.48 × 0.22 × 0.08 mm | range for data collection | 3.12–67.31° | Limiting indices | −14 < h < 14, –15 < k < 15, −34 < l < 33 | Reflections collected | 36039 | Independent reflections | 7606 | Absorption correction | SADABS | Refinement method | full-matrix least-squares on | Data/restraints/ parameters | 7606/0/537 | Goodness-of-fit on | 1.096 | Final indices [σ(I)] | = 0.0610, = 0.0240 | indices (all data) | = 0.0615, = 0.0248 |
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