-
3
-
-
0001087359
-
-
M. Ciampolini, L Fabbrizzi, M. Licchelli, A. Perotti, F. Pezzini, A. Poggi, Inorg. Chem. 1986, 25, 4131-4135.
-
(1986)
Inorg. Chem.
, vol.25
, pp. 4131-4135
-
-
Ciampolini, M.1
Fabbrizzi, L.2
Licchelli, M.3
Perotti, A.4
Pezzini, F.5
Poggi, A.6
-
4
-
-
0002992884
-
-
D. Tschudin, A. K. Bazak, T. A Kaden, Helv. Chim. Acta 1988, 71, 100-106.
-
(1988)
Helv. Chim. Acta
, vol.71
, pp. 100-106
-
-
Tschudin, D.1
Bazak, A.K.2
Kaden, T.A.3
-
5
-
-
37049078648
-
-
E. Asato, H. Shinji, N. Matsumoto, S. Kida, J. Chem. Soc., Dalton Trans. 1990, 1741-1746.
-
(1990)
J. Chem. Soc., Dalton Trans.
, pp. 1741-1746
-
-
Asato, E.1
Shinji, H.2
Matsumoto, N.3
Kida, S.4
-
6
-
-
0000169651
-
-
E. K. Barefield, K. A. Foster, G. M. Freeman, K. D. Hodges, Inorg. Chem. 1986, 25, 4663-4668.
-
(1986)
Inorg. Chem.
, vol.25
, pp. 4663-4668
-
-
Barefield, E.K.1
Foster, K.A.2
Freeman, G.M.3
Hodges, K.D.4
-
7
-
-
0000342662
-
-
M. Lachkar, B. Andrioletti, B. Boitrel, R. Guilard, A. Atmani, New J Chem. 1995, 19, 777-779.
-
(1995)
New J Chem.
, vol.19
, pp. 777-779
-
-
Lachkar, M.1
Andrioletti, B.2
Boitrel, B.3
Guilard, R.4
Atmani, A.5
-
8
-
-
37049076562
-
-
I. M. Helps, D. Parker, J. Chapman, G. Ferguson, J. Chem. Soc., Chem. Commun. 1988, 1094-1095.
-
(1988)
J. Chem. Soc., Chem. Commun.
, pp. 1094-1095
-
-
Helps, I.M.1
Parker, D.2
Chapman, J.3
Ferguson, G.4
-
10
-
-
0001318064
-
-
E. J. Gabe, Y. Le Page, L. Prasad, Acta Crystallogr. 1982, B38, 2752-2754.
-
(1982)
Acta Crystallogr.
, vol.B38
, pp. 2752-2754
-
-
Gabe, E.J.1
Le Page, Y.2
Prasad, L.3
-
11
-
-
0041503816
-
-
Ser IIB
-
T. Bailly, Y. Leroux, E. D. Manouni, A. Neuman, T. Prange, R. Burgada, C. R. Acad. Sci. 1996, Ser IIB, 151-154.
-
(1996)
C. R. Acad. Sci.
, pp. 151-154
-
-
Bailly, T.1
Leroux, Y.2
Manouni, E.D.3
Neuman, A.4
Prange, T.5
Burgada, R.6
-
14
-
-
0346589748
-
-
(Ed.: Z. Maksic), Springer Verlag, New York
-
J. Tomasi, R. Bonaccorsi, R. Cammi, in Theoretical Models of Chemical Bonding (Ed.: Z. Maksic), Springer Verlag, New York, 1991, vol IV, p. 229.
-
(1991)
Theoretical Models of Chemical Bonding
, vol.4
, pp. 229
-
-
Tomasi, J.1
Bonaccorsi, R.2
Cammi, R.3
-
16
-
-
0001793909
-
-
J. Korchowiec, H. Gerwens, K. Jug, Chem. Phys. Lett. 1994, 222, 58.
-
(1994)
Chem. Phys. Lett.
, vol.222
, pp. 58
-
-
Korchowiec, J.1
Gerwens, H.2
Jug, K.3
-
19
-
-
0142024619
-
-
J. S. Murray, T. Brinck, M E. Grice, P. Politzer, J. Mol. Struct. 1992, 256, 29.
-
(1992)
J. Mol. Struct.
, vol.256
, pp. 29
-
-
Murray, J.S.1
Brinck, T.2
Grice, M.E.3
Politzer, P.4
-
21
-
-
84943474840
-
-
N. E. Ghermani, N. Bouhmaida, C. Lecomte, Z Naturforsch., A 1993, A48, 91-98.
-
(1993)
Z Naturforsch., A
, vol.A48
, pp. 91-98
-
-
Ghermani, N.E.1
Bouhmaida, N.2
Lecomte, C.3
-
22
-
-
33751157845
-
-
N. E. Ghermani, N. Bouhmaida, C. Lecomte, A.-L. Papet, A. Marsura, J. Phys. Chem. 1994, 98, 6287-6292.
-
(1994)
J. Phys. Chem.
, vol.98
, pp. 6287-6292
-
-
Ghermani, N.E.1
Bouhmaida, N.2
Lecomte, C.3
Papet, A.-L.4
Marsura, A.5
-
23
-
-
33750369774
-
-
N. E. Ghermani, N. Bouhmaida, C. Lecomte, Acta Crystallogr. 1993, A49, 781-789.
-
(1993)
Acta Crystallogr.
, vol.A49
, pp. 781-789
-
-
Ghermani, N.E.1
Bouhmaida, N.2
Lecomte, C.3
-
24
-
-
0008978524
-
-
N. Bouhmaida, N. E. Ghermani, C. Lecomte, A. Thalal, Acta Crystallogr. 1997, A53, 556-563.
-
(1997)
Acta Crystallogr.
, vol.A53
, pp. 556-563
-
-
Bouhmaida, N.1
Ghermani, N.E.2
Lecomte, C.3
Thalal, A.4
-
25
-
-
2842513170
-
-
note
-
Molecular Mechanics (MM) and Molecular Dynamics (MD) (DISCOVER module of the MSI Molecular Modeling Package (Molecular Simulation, Inc., San Diego, CA, 1996, Insight II 4.00) have been used to perform an exhaustive search of low-energy conformers of the macrocycle. The Molecular Dynamics calculations have been carried out using the CVFF force field within a Verlet leapfrog integration procedure. The steepest descent method has been used for the final minimization of the global minimum.
-
-
-
-
26
-
-
2842540025
-
-
note
-
[29]. Data collection details, positional and equivalent isotropic thermal parameters, and anisotropic thermal motion parameters for non-H atoms obtained after the spherical atom refinement of 2 have been deposited with the Cambridge Crystallographic Data Centre as supplementary publication no. CCDC-101492. Copies of the data can be obtained free of charge on application to CCDC, 12 Union Road, Cambridge CB2 1EZ, UK [Fax: (internat.) + 44(1223)336-033; E-mail: deposit@ccdc.cam.ac.uk].
-
-
-
-
27
-
-
0004150157
-
-
Program for Crystal Structure Determinations, University of Göttingen, Göttingen, Germany
-
G. M. Sheldrick, SHELX 76, Program for Crystal Structure Determinations, University of Göttingen, Göttingen, Germany, 1976.
-
(1976)
SHELX 76
-
-
Sheldrick, G.M.1
-
28
-
-
2842554451
-
-
Wavefunction Inc. Spartan 4.1. Irvine, CA 92717, USA
-
Wavefunction Inc. Spartan 4.1. Irvine, CA 92717, USA.
-
-
-
|