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Crystal data of 1: C21H14InO8P, Mr, 540.11, monoclinic system, space group P21, a, 10.527 (2) Å, b, 9.3735 (17) Å, c, 10.527 (2) Å, β, 92.29, V, 1037.9 (3) Å3, Z, 4, Dc, 1.728 g/cm3, μ, 2.267 mm-1, F000, 536, Flack's parameter χ, 0.04(3, Rigaku Mercury CCD area-detector, Mo Kα radiation, λ, 0.71073 Å, T, 293(2) K, 2θmax, 55.0°, 7877 reflections collected, 4175 unique (Rint, 0.0578, Final GooF, 0.934, R1, 0.0468, wR2, 0.0794. R indices based on 3420 reflections with I > 2σI, refinement on F2, The structure was solved with direct methods and refined on F2 with full-matrix least-squares methods using SHELXS-97 and SHELXL-97 programs, respectively [9, All non-hydrogen atoms were refined anisotropically. The hydrogen atoms belongin
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2 with full-matrix least-squares methods using SHELXS-97 and SHELXL-97 programs, respectively [9]. All non-hydrogen atoms were refined anisotropically. The hydrogen atoms belonging to the water molecule O8 were found in the electron-density map. The other hydrogen atoms were generated geometrically.
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SHELXTL:, Bruker Analytical X-ray System Inc, Madison, WI, USA
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G. M. Sheldrick, SHELXTL: Structure Determination Software Programs, Bruker Analytical X-ray System Inc., Madison, WI, USA, 1997.
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Structure Determination Software Programs
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