Empirical formula | C24 H28 Co N10 O12 |
|
Formula weight | 707.49 |
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Temperature | 100(2) K |
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Wavelength | 1.54178 Å |
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Crystal system | Monoclinic |
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Space group | P2(1)/n |
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Unit cell dimensions | a = 7.2108(4) Å | α = 90˚. |
| b = 16.6020(9) Å | β = 103.972(4)˚. |
| c = 13.0389(6) Å | γ = 90˚. |
Volume | 1514.75(14) Å |
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Z | 2 |
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Density (calculated) | 1.551 Mg/m3 |
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Absorption coefficient | 5.143 mm−1 |
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F(000) | 730 |
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Crystal size | 0.21 × 0.19 × 0.06 mm3 |
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Theta range for data collection | 4.39˚ to 72.32˚ |
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Index ranges | −8 ≤ h ≤ 8, −20 ≤ k ≤ 19, −16 ≤ l ≤ 14 |
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Reflections collected | 8289 |
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Independent reflections | 2855 [R(int) = 0.0363] |
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Completeness to theta = 67.00˚ | 97.0% |
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Absorption correction | Semi-empirical from equivalents |
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Max. and min. transmission | 0.7478 and 0.570574 |
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Refinement method | Full-matrix least-squares on F2 |
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Data/restraints/parameters | 2855/0/234 |
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Goodness-of-fit on F2 | 1.115 |
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Final R indices [I > 2 sigma(I)] | R1 = 0.0406, wR2 = 0.0870 |
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R indices (all data) | R1 = 0.0465, wR2 = 0.0891 |
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Largest diff. peak and hole | 0.327 and −0.279 e·Å−3 |
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