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7
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68749108178
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2 (SHELXL 97-2) located the positions of the remaining atoms in the electron density maps -3545 -3493
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A. Avelar F. S. Tham C. A. Reed Angew. Chem. 2009 121 3543 3545 Angew. Chem., Int. Ed. 2009 48 3491 3493
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(2009)
Angew. Chem.
, vol.121
, pp. 3543
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Avelar, A.1
Tham, F.S.2
Reed, C.A.3
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8
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37549039510
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All atoms were refined anisotropically. The data were corrected for absorption. Graphical representations of the structures were prepared with the program DIAMOND
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G. M. Sheldrick Acta Crystallogr., Sect. A 2008 64 112
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(2008)
Acta Crystallogr., Sect. A
, vol.64
, pp. 112
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Sheldrick, G.M.1
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11
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68749095847
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Universität Bremen, Germany
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H. Wagner, Doctoral Thesis, Universität Bremen, Germany, 2007
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(2007)
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Wagner, H.1
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19
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68749088442
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Structure optimizations and vibrational analyses have been performed with the Turbomole program package on the MP2/def2-TZVPP level
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J. Buschmann and R. Steudel, unpublished results
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-
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Buschmann, J.1
Steudel, R.2
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20
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68749089692
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TURBOMOLE, V6.0, 2009, a development of the University of Karlsruhe and Forschungszentrum Karlsruhe GmbH, TURBOMOLE GmbH, http://www.turbomole.com
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(2009)
TURBOMOLE, V6.0
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-
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21
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0141704726
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Gaussian, Inc., Wallingford, CT,). All structure representations were created using ChemCraft (ChemCraft, Version 1.6, Lattice enthalpies were estimated using the volume based approach:
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M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, M. A. Robb, J. R. Cheeseman, J. A. Montgomery, Jr., T. Vreven, K. N. Kudin, J. C. Burant, J. M. Millam, S. S. Iyengar, J. Tomasi, V. Barone, B. Mennucci, M. Cossi, G. Scalmani, N. Rega, G. A. Petersson, H. Nakatsuji, M. Hada, M. Ehara, K. Toyota, R. Fukuda, J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, M. Klene, X. Li, J. E. Knox, H. P. Hratchian, J. B. Cross, V. Bakken, C. Adamo, J. Jaramillo, R. Gomperts, R. E. Stratmann, O. Yazyev, A. J. Austin, R. Cammi, C. Pomelli, J. Ochterski, P. Y. Ayala, K. Morokuma, G. A. Voth, P. Salvador, J. J. Dannenberg, V. G. Zakrzewski, S. Dapprich, A. D. Daniels, M. C. Strain, O. Farkas, D. K. Malick, A. D. Rabuck, K. Raghavachari, J. B. Foresman, J. V. Ortiz, Q. Cui, A. G. Baboul, S. Clifford, J. Cioslowski, B. B. Stefanov, G. Liu, A. Liashenko, P. Piskorz, I. Komaromi, R. L. Martin, D. J. Fox, T. Keith, M. A. Al-Laham, C. Y. Peng, A. Nanayakkara, M. Challacombe, P. M. W. Gill, B. G. Johnson, W. Chen, M. W. Wong, C. Gonzalez and J. A. Pople, GAUSSIAN 03 (Revision E.1), Gaussian, Inc., Wallingford, CT, 2004
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(2004)
GAUSSIAN 03 (Revision E.1)
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Frisch, M.J.1
Trucks, G.W.2
Schlegel, H.B.3
Scuseria, G.E.4
Robb, M.A.5
Cheeseman, J.R.6
Montgomery, Jr.J.A.7
Vreven, T.8
Kudin, K.N.9
Burant, J.C.10
Millam, J.M.11
Iyengar, S.S.12
Tomasi, J.13
Barone, V.14
Mennucci, B.15
Cossi, M.16
Scalmani, G.17
Rega, N.18
Petersson, G.A.19
Nakatsuji, H.20
Hada, M.21
Ehara, M.22
Toyota, K.23
Fukuda, R.24
Hasegawa, J.25
Ishida, M.26
Nakajima, T.27
Honda, Y.28
Kitao, O.29
Nakai, H.30
Klene, M.31
Li, X.32
Knox, J.E.33
Hratchian, H.P.34
Cross, J.B.35
Bakken, V.36
Adamo, C.37
Jaramillo, J.38
Gomperts, R.39
Stratmann, R.E.40
Yazyev, O.41
Austin, A.J.42
Cammi, R.43
Pomelli, C.44
Ochterski, J.45
Ayala, P.Y.46
Morokuma, K.47
Voth, G.A.48
Salvador, P.49
Dannenberg, J.J.50
Zakrzewski, V.G.51
Dapprich, S.52
Daniels, A.D.53
Strain, M.C.54
Farkas, O.55
Malick, D.K.56
Rabuck, A.D.57
Raghavachari, K.58
Foresman, J.B.59
Ortiz, J.V.60
Cui, Q.61
Baboul, A.G.62
Clifford, S.63
Cioslowski, J.64
Stefanov, B.B.65
Liu, G.66
Liashenko, A.67
Piskorz, P.68
Komaromi, I.69
Martin, R.L.70
Fox, D.J.71
Keith, T.72
Al-Laham, M.A.73
Peng, C.Y.74
Nanayakkara, A.75
Challacombe, M.76
Gill, P.M.W.77
Johnson, B.G.78
Chen, W.79
Wong, M.W.80
Gonzalez, C.81
Pople, J.A.82
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