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Crystal data for 2Ni: C67H73Cl 3N4NiS, Mr, 1131.41, triclinic, space group P1 (No. 2, a, 11.857(5, b, 16.135(5, c, 18.457(5) Å, α, 87.305(5, β, 73.755(5, γ, 80.146(5, V, 3340(2) Å3, Z, 2, ρcalcd, 1.125 g cm-3, T, 90(2) K, 38372 measured reflections, 15266 unique reflections, R, 0.0643 (I > 2.0σ(I, Rw, 0.1780 (all data, GOF, 1.012 (I > 2.0σ(I, Crystal data for 3Ni: C200H 216Cl7N12Ni3S3, Mr, 3308.31, triclinic, space group P1 (No. 2, a, 18.846(5, b, 27.958(5, c, 27.989(5) Å, α, 112.376(5, β, 103.171(5, γ, 103.126(5)°, V, 12445(5) Å3
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[13] CCDC 685452 (2Ni) and CCDC 685451 (3Ni) contain the supplementary crystallographic data for this paper. 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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As a fast repetition rate of theexcitation pulse (5 kHz, 200 μs delay between the pulses) was used, there is a possibility that the observed TPA values would have been artificially augmented by the contribution from the triplet-triplet excited-state absorption (ESA). However, it is expected that, considering the lifetime of the lowest triplet state lifetime of the similar molecules (< 200 μs), the triplet state may be depopulated before ESA by a subsequent pulse. Hence, the TPA augmentation by ESA will be very minimal or negligible and does not affect the general trend observed for these molecules.
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