M. C. F. Vidal, J. Romero, R. Saez, A. Matilla, J. Niclos and
´ ´
J. M. Tercero, Z. Anorg. Allg. Chem., 2001, 627, 1553;
d) S. G. Carling, J. M. Bradley, D. Visser and P. Day, Polyhedron,
Acknowledgements
(
A.S.L. thanks to Rostyslav Dolog for help in comprehension
of ab initio and DFT calculation methods and to ORCA team
and community (and especially to Prof. Frank Neese) for
helpful answers about ORCA usage. S.V.K. thanks CNRS
for invited researcher position in UMR 6226 Rennes. Work
2
1
003, 22, 2317; (e) A. Gleizes and M. Verdaguer, J. Am. Chem. Soc.,
981, 103, 7373; (f) M. Verdaguer, A. Gleizes, J. P. Renard and
J. Seiden, Phys. Rev. B, 1984, 29, 5144.
8 G. Brauer, ‘‘Handbook of Inorganic Synthesis’’, Mir, Moscow,
1
985, vol. 2, p. 395.
9
V. A. Mamedov, Y. A. Levin, E. K. Trutneva, A. T. Gubaidullin, I.
Kh. Rizvanov, E. Ya. Levina, I. A. Litvinov and Y. Ya. Efremov,
Arrkivoc, 2004, XII, 47.
partially supported by CNRS, University of Rennes 1, Region
´
Bretagne and by joint grant of the National Academy of
sciences of Ukraine and CNRS.
10 F. Neese, ORCA–an ab initio, Density Functional and Semiempirical
program package, Version 2.8.0, University of Bonn, 2010.
1
1 (a) A. Altomare, M. C. Burla, M. Camalli, G. L. Cascarano,
C. Giacovazzo, A. Guagliardi, A. G. G. Moliterni, G. Polidori and
R. Spagna, J. Appl. Crystallogr., 1999, 32, 115; (b) M. C. Burla,
R. Caliandro, M. Camalli, B. Carrozzini, G. L. Cascarano,
L. De Caro, C. Giacovazzo, G. Polidori and R. Spagna, J. Appl.
Crystallogr., 2005, 38, 381; (c) G. M. Sheldrick, SHELX-97:
References
1
2
Selected examples: (a) C. Janiak, Dalton Trans., 2003, 2781;
b) D. Maspoch, D. Ruiz-Molina and J. Veciana, J. Mater. Chem.,
004, 14, 2713; (c) X.-Y. Wang, Z.-M. Wang and S. Gao, Chem.
Commun., 2008, 281; (d) M. Kurmoo, Chem. Soc. Rev., 2009,
8, 1353.
(a) R. Robson, Dalton Trans., 2008, 5113; (b) S. L. James, Chem.
Soc. Rev., 2003, 32, 276; (c) J. Kim, B. Chen, T. M. Reineke, H. Li,
M. Eddaoudi, D. B. Moler, M. O’Keeffe and O. M. Yaghi, J. Am.
Chem. Soc., 2001, 123, 8239; (d) M. J. Rosseinsky, Microporous
Mesoporous Mater., 2004, 73, 15; (e) M. Eddaoudi, D. B. Moler,
H. Li, B. Chen, T. M. Reineke, M. O’Keeffe and O. M. Yaghi, Acc.
Chem. Res., 2001, 34, 319; (f) S. V. Kolotilov, O. Cador,
K. S. Gavrilenko, S. Golhen, L. Ouahab and V. V. Pavlishchuk,
Eur. J. Inorg. Chem., 2010, 1255; (g) E. Pardo, J. Faus, M. Julve,
(
2
¨
University of Go¨ttingen, Gottingen, Germany, 1997.
3
12 (a) M. H. Klingele and S. Brooker, Coord. Chem. Rev., 2003,
241, 119; (b) H.-F. Zhu, W.-Y. Sun, T.-A. Okamura and
N. Ueyama, Inorg. Chem. Commun., 2003, 6, 168; (c) J.-M. Rueff,
S. Pillet, N. Claiser, G. Bonaventure, M. Souhassou and P. Rabu,
Eur. J. Inorg. Chem., 2002, 895; (d) D. L. Reger, C. A. Little,
M. D. Smith and G. J. Long, Inorg. Chem., 2002, 41, 4453;
(e) F.-T. Xie, L.-M. Duan, J.-Q. Xu, L. Ye, Y.-B. Liu, X.-X. Hu
and J.-F. Song, Eur. J. Inorg. Chem., 2004, 4375.
13 A. V. Yakovenko, S. V. Kolotilov, A. W. Addison, S. Trofimenko,
G. P. A. Yap, V. Lopushanskaya and V. V. Pavlishchuk, Inorg.
Chem. Commun., 2005, 8, 932.
14 K. Uehara, S. Hikichi and M. Akita, J. Chem. Soc., Dalton Trans.,
2002, 3529.
15 (a) A. H. Mahmoudkhani and V. Langer, Acta Crystallogr., Sect. E:
Struct. Rep. Online, 2002, 58, m592; (b) C. A. Bremner and W. T.
A. Harrison, Acta Crystallogr., Sect. E: Struct. Rep. Online, 2003,
59, m425; (c) B. F. Ali, R. H. Al-Far and S. F. Haddad, Acta
Crystallogr., Sect. E: Struct. Rep. Online, 2008, 64, m485;
(d) H. Zhang, L. Fang and R. Yuan, Acta Crystallogr., Sect. E:
Struct. Rep. Online, 2005, 61, m609; (e) W. N. Setzer, C. A. Ogle,
G. S. Wilson and R. S. Glass, Inorg. Chem., 1983, 22, 266;
(f) S. C. Shoner, A. M. Nienstedt, J. J. Ellison, I. Y. Kung,
D. Barnhart and J. A. Kovacs, Inorg. Chem., 1998, 37, 5721.
16 (a) A. L. Spek, Acta Crystallogr., Sect A, 1990, 46, C34;
(b) A. L. Spek, PLATON, A Multipurpose Crystallographic Tool,
Utrecht University, Utrecht, The Netherlands, 1998.
17 (a) V. V. Pavlishchuk, S. V. Kolotilov, A. W. Addison,
R. J. Butcher and E. Sinn, J. Chem. Soc., Dalton Trans., 2000,
335; (b) R. L. Girling, J. E. O’Connor and E. L. Amma, Acta
Crystallogr., Sect. B: Struct. Crystallogr. Cryst. Chem., 1972,
28, 2640; (c) L. Capacchi, G. F. Gasparri, M. Nardelli and
G. Pelizzi, Acta Crystallogr., Sect. B: Struct. Crystallogr. Cryst.
Chem., 1968, 24, 1199; (d) W. A. Spofford III, P. Boldrini and
E. L. Amma, Inorg. Chim. Acta, 1971, 5, 70.
F. Lloret, M. C. Mun
˜
R. Carrasco, G. Blay, I. Ferna
oz, J. Cano, X. Ottenwaelder, Y. Journaux,
ndez and R. Ruiz-Garcıa, J. Am.
´
´
Chem. Soc., 2003, 125, 10770; (h) T. R. Felthouse, E. N. Duesler
and D. N. Hendrickson, J. Am. Chem. Soc., 1978, 100, 618;
(i) T. R. Felthouse and D. N. Hendrickson, Inorg. Chem., 1978,
17, 2636; (j) G. Dong, Q. Chun-qi, D. Chun-ying, P. Ke-liang and
M. Qing-Jin, Inorg. Chem., 2003, 42, 2024.
3
(a) H. W. Park, S. M. Sung, K. S. Min, H. Bang and M. P. Suh,
Eur. J. Inorg. Chem., 2001, 2857; (b) M. Julve, M. Verdaguer,
J. Faus, F. Tinti, J. Moratal, A. Monge and E. Gutierrez-Puebla,
Inorg. Chem., 1987, 26, 3520; (c) M. S. Haddad,
D. N. Hendrickson, J. P. Cannady, R. S. Drago and
D. S. Bieksza, J. Am. Chem. Soc., 1979, 101, 898;
(
d) S. V. Kolotilov, O. Cador, S. Golhen, O. Shvets, V. G. Ilyin,
V. V. Pavlishchuk and L. Ouahab, Inorg. Chim. Acta, 2007,
60, 1883; (e) A. C. Sudik, A. R. Millward, N. W. Ockwig,
A. P. Coote, J. Kim and O. M. Yaghi, J. Am. Chem. Soc., 2005,
27, 7110; (f) V. V. Pavlishchuk, S. V. Kolotilov, A. W. Addison,
3
ˆ
´
1
M. J. Prushan, R. J. Butcher and L. K. Thompson, Chem.
Commun., 2002, 468.
Selected examples: (a) J.-F. Song, Y. Chen, Z.-G. Li, R.-S. Zhou,
X.-Y. Xu and J.-Q. Xu, J. Mol. Struct., 2007, 842, 125;
4
(
b) C.-K. Xia, C.-Z. Lu, D.-Q. Yuan, Q.-Z. Zhang, X.-Y. Wu,
S.-C. Xiang, J.-J. Zhang and D.-M. Wu, CrystEngComm, 2006,
, 281; (c) Y.-Z. Zheng, Y.-B. Zhang, M.-L. Tong, W. Xue and
8
18 (a) J. C. Barnes and T. J. R. Weakley, J. Chem. Soc., Dalton Trans.,
1976, 1786; (b) J. W. Steed, B. J. McCool and P. C. Junk, J. Chem.
Soc., Dalton Trans., 1998, 3417; (c) M. E. Masaki, B. J. Prince and
M. M. Turnbull, J. Coord. Chem., 2002, 55, 1337.
19 R. D. Shannon, Acta Crystallogr., Sect. A: Cryst. Phys., Diffr.,
Theor. Gen. Crystallogr., 1976, 32, 751.
X.-M. Chen, Dalton Trans., 2009, 1396; (d) F. Luo, Y. Che and
J. Zheng, Cryst. Growth Des., 2009, 9, 1066; (e) J. Klingele,
M. H. Klingele, O. Baars, V. Lozan, A. Buchholz, G. Leibeling,
W. Plass, F. Meyer and B. Kersting, Eur. J. Inorg. Chem., 2007,
5277; (f) P.-K. Chen, Y.-X. Che and J.-M. Zheng, Inorg. Chem.
Commun., 2007, 10, 187; (g) X.-N. Cheng, W.-X. Zhang,
Y.-Y. Lin, Y.-Z. Zheng and X.-M. Chen, Adv. Mater., 2007,
20 L. A. Kazitsina and N. B. Kupletskaya, The Use of UV-, IR-, NMR
and Mass-Spectroscopy in Organic Chemistry, 2nd edn, Publishing
House of Moscow University, 1979.
21 A. R Allouche, J. Comput. Chem., 2011, 32, 174.
22 A. B. P. Lever, Inorganic Electronic Spectroscopy, Elsevier, New York,
1984.
19, 1494.
O. Kahn, Molecular Magnetism, VCH, 1993.
(a) J. Cano, E. Ruiz, P. Alemany, F. Lloret and S. Alvarez, J. Chem.
5
6
ˇ
Soc., Dalton Trans., 1999, 1669; (b) F. Br
L. Kvıtek and R. Pastorek, Transition Met. Chem., 1999, 24, 88;
c) E. A. Mikhalyova, A. W. Addison, S. V. Kolotilov,
ˇ
ezina, Z. Sindelar,
´
ˇ
´
23 J. V. Quagliano, A. K. Banerjee, V. L. Goedken and
L. M. Vallarino, J. Am. Chem. Soc., 1970, 92, 482.
(
V. V. Pavlishchuk, O. Cador, M. Zeller, W. G. Dougherty Jr.,
L. Ouahab, A. D. Hunter and S. Trofimenko, Abstracts of Papers,
237th American Chemical Society National Meeting, Salt Lake City,
UT, United States, March 22-26, 2009, INOR-169.
24 (a) W. Rosen and D. H. Busch, J. Chem. Soc. D, 1969, 148;
(b) W. Levason, Ch. A. McAuliffe and S. G. Murray, J. Chem.
Soc., Dalton Trans., 1975, 1566.
25 (a) M. E. Fisher, Am. J. Phys., 1964, 32, 343; (b) K.-Y. Choi and
K.-J. Kim, Polyhedron, 2008, 27, 1311.
26 (a) J. J. Novoa, M. Deumal and J. Jornet-Somoza, Chem. Soc. Rev.,
7
(a) G. A. Melson, N. P. Crawford and B. J. Geddes, Inorg. Chem.,
1
ˇ
ezina, Z. Sindela
970, 9, 1123; (b) F. Br
ˇ
R. Pastorek, Transition Met. Chem., 1999, 24, 88; (c) A. Castin
´
r
ˇ
,
L. Kvı
´
tek and
eiras,
˜
¨
2011, 40, 3182; (b) R. Bast, U. Ekstroom, B. Gao, T. Helgaker,
This journal is c The Royal Society of Chemistry and the Centre National de la Recherche Scientifique 2011
New J. Chem., 2011, 35, 2179–2186 2185