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STOE IPDS-1, Mo-Kα radiation, structure determination: SHELXS-97, refinement: SHELXL-97. 3: C68H 65BCl3IMoOP4 (mol. mass 1362.08, a, 17.9343(11) Å, b, 14.7008(6) Å, c, 23.8189(13) Å, β, 98.423(7)°, 6212.1(6) Å3 (170 K, ρcalc, 1.456 gcm-3, monoclinic, P2 1/n, Z, 4, STOE IPDS-1, μ, 0.983 mm-1, 49191 measured (5° ≤ 2θ ≤ 54°) and 13436 independent reflections (Rint, 0.0313, 713 parameters, R1 for 11067 reflections with I>2σ (I, 0.0346, wR2 for all data, 0.0931, GOF, 1.029, residual electron density: 1.00/-1.27 e/ Å3. CCDC-681498 (for 3) contains the supplementary crystallographic data. These data can be obtained free of charge from The Cambridge Crystallographic Data Centre v
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3. CCDC-681498 (for 3) contains the supplementary crystallographic data. These data can be obtained free of charge from The Cambridge Crystallographic Data Centre via www.ccdc.cam.ac.uk/data_request/cif.
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85163224608
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The most relevant bond lengths [Å] are: Mo(1)-O(1) 1.6926, Mo(1)-I(1) 2.9526, Mo(1)-P(1) 2.4960, Mo(1)-P(2) 2.4999, Mo(1)-P(3) 2.5357, Mo(1)-P(4) 2.5693. The most relevant bond angles [°] are: I(1)-Mo(1)-O(1) 172.56, P(1)-Mo(1)-P(2) 87.69, P(1)-Mo(1)-P(3) 157.74, P(1)-Mo(1)-P(4) 80.25, P(2)-Mo(1)-P(3) 78.27, P(2)-Mo(1)-P(4) 161.59, P(3)-Mo(1)-P(4) 108.51.
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The most relevant bond lengths [Å] are: Mo(1)-O(1) 1.6926, Mo(1)-I(1) 2.9526, Mo(1)-P(1) 2.4960, Mo(1)-P(2) 2.4999, Mo(1)-P(3) 2.5357, Mo(1)-P(4) 2.5693. The most relevant bond angles [°] are: I(1)-Mo(1)-O(1) 172.56, P(1)-Mo(1)-P(2) 87.69, P(1)-Mo(1)-P(3) 157.74, P(1)-Mo(1)-P(4) 80.25, P(2)-Mo(1)-P(3) 78.27, P(2)-Mo(1)-P(4) 161.59, P(3)-Mo(1)-P(4) 108.51.
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