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1642471704
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37349077801
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Crystallographic data for 1: C66H110N 2O4S4Si2V2, M r, 1281.91; a green crystal (0.45 x 0.50 x 0.60 mm) sealed in a capillary with epoxy, T, 200(2) K, λ(Mo Kα, 0.710 73 Å, monoclinic, space group P21/n, a, 17.2370(2) Å, b, 24.1280(3) Å c, 17.7430(2) Å, V, 7153.40(15) ̊3, Z, 4, ρcalcd, 1.190 g cm-3, 2θmax, 50.16°, μ, 0.455 mm -1, empirical absorption correction using SADABS, F(000, 2760, 43 307 reflections, 12 368 unique reflections (Rint, 0.0565, 721 parameters, 0 restraint, GOF, 1.072, R1, 0.0499 [I > 2σI, wR2, 0.1175, min/max residual electron density -0.482/0.686 e Å-3, refined on |F2
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2|.
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15
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37049096497
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Addison, A. W.; Rao, T. N.; Reedijk, J.; Rijn, J. v.; Verschoor, G. C. J. Chem. Soc., Dalton Trans. 1984, 1349-1356.
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Addison, A.W.1
Rao, T.N.2
Reedijk, J.3
Rijn, J.V.4
Verschoor, G.C.5
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16
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33645317054
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Hsu, H.-F.; Su, C.-L.; Gopal, N. O.; Wu, C.-C.; Chu, W.-C.; Tsai, Y.-F.; Chang, Y.-H.; Liu, Y.-H.; Kuo, T.-S.; Ke, S.-C. Eur. J. Inorg. Chem. 2006, 1161-1167.
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Eur. J. Inorg. Chem
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Hsu, H.-F.1
Su, C.-L.2
Gopal, N.O.3
Wu, C.-C.4
Chu, W.-C.5
Tsai, Y.-F.6
Chang, Y.-H.7
Liu, Y.-H.8
Kuo, T.-S.9
Ke, S.-C.10
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17
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37349020893
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Crystallographic data for 2·H2O: C 53H67NO6S4P2V 2, Mr, 1106.28; a green crystal (0.30 x 0.40 x 0.45 mm) sealed in a capillary with epoxy, T, 200(2) K, λ(Mo Kα, 0.710 73 Å, monoclinic, space group P21/n, a, 9.7871(4) Å, b, 20.9209(10) Å, c, 26.7300(14) Å, V, 5436.2(4) Å3, Z, 4, ρcalcd, 1.355 g cm-3, 2θmax, 52.08°, μ, 0.605 mm-1, empirical absorption correction using SADABS, F(000, 2332, 23 194 reflections, 10 116 unique reflections (Rint, 0.0651, 613 parameters, 0 restraint, GOF, 1.170, R1, 0.0772 [I > 2σI, wR2, 0.1881, min/max residual electron density -0.957/0.815 e Å-3, refined on F 2
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2.
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18
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85008887191
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The O atom is not protonated if the BVS is ∼2; it is monoprotonated if the BVS is ∼1. Brown, I. D. The bond valence method: an empirical approach to chemical structure and bonding. In Structures and Bonding in Crystals; O'Keefe, M., Navrotdsky, A., Eds.; Academic Press: New York, 1981; pp 1-30.
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The O atom is not protonated if the BVS is ∼2; it is monoprotonated if the BVS is ∼1. Brown, I. D. The bond valence method: an empirical approach to chemical structure and bonding. In Structures and Bonding in Crystals; O'Keefe, M., Navrotdsky, A., Eds.; Academic Press: New York, 1981; pp 1-30.
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20
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0001654339
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