Crystallography Open Database
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COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 7050020 | CIF | C28 H26 Br30 Mn6 O27 | P -1 | 13.8846; 14.8256; 21.8859 102.61; 92.898; 113.902 | 3970.4 | Jordi Gómez-Segura; Elsa Lhotel; Carley Paulsen; Dominique Luneau; Klaus Wurst; Jaume Veciana; Daniel Ruiz-Molina; Philippe Gerbier Trihaloacetic acids: an investigation of steric and inductive ligand effects on the synthesis of [Mn12O12(O2CCX3)16(H2O)4] single-molecule magnets New Journal of Chemistry, 2005, 29, 499 |
| 7050021 | CIF | C17 H20 Cl18 Mn3 O17 | P -1 | 10.6317; 13.5792; 17.0719 78.218; 76.225; 78.187 | 2311.5 | Jordi Gómez-Segura; Elsa Lhotel; Carley Paulsen; Dominique Luneau; Klaus Wurst; Jaume Veciana; Daniel Ruiz-Molina; Philippe Gerbier Trihaloacetic acids: an investigation of steric and inductive ligand effects on the synthesis of [Mn12O12(O2CCX3)16(H2O)4] single-molecule magnets New Journal of Chemistry, 2005, 29, 499 |
| 7050022 | CIF | C32 H15 F48 Mn12 O49.5 | P -1 | 15.789; 19.5781; 20.064 95.61; 105.667; 106.933 | 5607.1 | Jordi Gómez-Segura; Elsa Lhotel; Carley Paulsen; Dominique Luneau; Klaus Wurst; Jaume Veciana; Daniel Ruiz-Molina; Philippe Gerbier Trihaloacetic acids: an investigation of steric and inductive ligand effects on the synthesis of [Mn12O12(O2CCX3)16(H2O)4] single-molecule magnets New Journal of Chemistry, 2005, 29, 499 |
| 7050023 | CIF | C26 H43 N O4 S6 | P -1 | 11.239; 12.38; 13.299 74.38; 77.53; 66.05 | 1616.6 | Lin, Hai-Hong; Yan, Zhe-Min; Dai, Jie; Zhang, De-Qing; Zuo, Jing-Lin; Zhu, Qin-Yu; Jia, Ding-Xian A water-soluble derivative of tetrathiafulvalene exhibiting pH sensitive redox properties New Journal of Chemistry, 2005, 29, 509 |
| 7050024 | CIF | C26 H25 N3 O2 | P 1 21/c 1 | 11.111; 16.954; 12.318 90; 113.97; 90 | 2120.3 | Katsuhira Yoshida; Yousuke Ooyama Heterocyclic quinol-type fluorophores. Part 4. Dramatic solid-state fluorescence enhancement behaviour of imidazoanthraquinol-type clathrate hosts upon inclusion of various kinds of organic solvent molecules New J.Chem.(Nouv.J.Chim.), 2005 |
| 7050025 | CIF | C26 H25 N3 O2 | P 1 21/c 1 | 11.111; 16.954; 12.318 90; 113.97; 90 | 2120.3 | Katsuhira Yoshida; Yousuke Ooyama Heterocyclic quinol-type fluorophores. Part 4. Dramatic solid-state fluorescence enhancement behaviour of imidazoanthraquinol-type clathrate hosts upon inclusion of various kinds of organic solvent molecules New J.Chem.(Nouv.J.Chim.), 2005 |
| 7050026 | CIF | C30 H35 N3 O3 | P 1 21/c 1 | 13.277; 11.943; 17.664 90; 108.36; 90 | 2658.4 | Ooyama, Yousuke; Yoshida, Katsuhira Heterocyclic quinol-type fluorophores. Dramatic solid-state fluorescence enhancement behaviour of imidazoanthraquinol-type clathrate hosts upon inclusion of various kinds of organic solvent molecules New Journal of Chemistry, 2005, 29, 1204 |
| 7050027 | CIF | C28 H29 N3 O3 | P -1 | 9.25; 16.607; 8.1 96.08; 97.9; 96.25 | 1215.9 | Ooyama, Yousuke; Yoshida, Katsuhira Heterocyclic quinol-type fluorophores. Dramatic solid-state fluorescence enhancement behaviour of imidazoanthraquinol-type clathrate hosts upon inclusion of various kinds of organic solvent molecules New Journal of Chemistry, 2005, 29, 1204 |
| 7050028 | CIF | C34 H45 N3 O4 | P 1 21/n 1 | 9.62; 23.485; 15.297 90; 107.87; 90 | 3289.3 | Ooyama, Yousuke; Yoshida, Katsuhira Heterocyclic quinol-type fluorophores. Dramatic solid-state fluorescence enhancement behaviour of imidazoanthraquinol-type clathrate hosts upon inclusion of various kinds of organic solvent molecules New Journal of Chemistry, 2005, 29, 1204 |
| 7050029 | CIF | C28 H31 N3 O3 | P 1 21/n 1 | 7.957; 20.75; 14.977 90; 96.81; 90 | 2455.4 | Ooyama, Yousuke; Yoshida, Katsuhira Heterocyclic quinol-type fluorophores. Dramatic solid-state fluorescence enhancement behaviour of imidazoanthraquinol-type clathrate hosts upon inclusion of various kinds of organic solvent molecules New Journal of Chemistry, 2005, 29, 1204 |
| 7050030 | CIF | C28 H30 N3 O2.5 | P n a 21 | 16.57; 12.047; 24.125 90; 90; 90 | 4816 | Ooyama, Yousuke; Yoshida, Katsuhira Heterocyclic quinol-type fluorophores. Dramatic solid-state fluorescence enhancement behaviour of imidazoanthraquinol-type clathrate hosts upon inclusion of various kinds of organic solvent molecules New Journal of Chemistry, 2005, 29, 1204 |
| 7050031 | CIF | C2 H6 N Ni O5 P | P n a 21 | 9.5378; 12.572; 5.183 90; 90; 90 | 621.49 | Modi, Rakesh; Hix, Gary B.; Tremayne, Maryjane; MacLean, Elizabeth Polymorphism in nickel phosphonates: synthesis of layered and microporous Ni(O3PCH2C(O)NH2)�H2O New Journal of Chemistry, 2005, 29, 427 |
| 7050032 | CIF | C14 H14 Cl I S | P 1 21 1 | 6.956; 5.6659; 18.636 90; 98.9; 90 | 725.6 | Asseily, Gabriel A.; Davies, Robert P.; Rzepa, Henry S.; White, Andrew J. P. A solid-state structural and theoretical study on the 1 ? 1 addition compounds of thioethers with dihalogens and interhalogens I?X (X = I, Br, Cl) New Journal of Chemistry, 2005, 29, 315 |
| 7050033 | CIF | C14 H14 Br I S | P 1 21 1 | 7.1678; 5.7376; 18.5292 90; 100.495; 90 | 749.28 | Asseily, Gabriel A.; Davies, Robert P.; Rzepa, Henry S.; White, Andrew J. P. A solid-state structural and theoretical study on the 1 ? 1 addition compounds of thioethers with dihalogens and interhalogens I?X (X = I, Br, Cl) New Journal of Chemistry, 2005, 29, 315 |
| 7050034 | CIF | C40 H62 Cu2 N12 O27 | F d d 2 | 14.3905; 42.019; 42.158 90; 90; 90 | 25492 | Lu, Jack Y.; Fernandez, Wifredo A.; Ge, Zhenghua; Abboud, Khalil A. A novel two-fold interpenetrating 3D 42.84 network self-assembled from a new 1D coordination polymer New Journal of Chemistry, 2005, 29, 434 |
| 7050035 | CIF | C10 H8 Cu N4 O6 | P 43 21 2 | 7.8122; 7.8122; 20.232 90; 90; 90 | 1234.8 | Lu, Jack Y.; Fernandez, Wifredo A.; Ge, Zhenghua; Abboud, Khalil A. A novel two-fold interpenetrating 3D 42.84 network self-assembled from a new 1D coordination polymer New Journal of Chemistry, 2005, 29, 434 |
| 7050036 | CIF | C28 H26 Br2 N Ni P | P 1 21/n 1 | 11.576; 23.162; 11.171 90; 117.85; 90 | 2648.3 | Sofia I. Pascu; Karl S. Coleman; A. R. Cowley; Malcolm L. H. Green; Nicholas H. Rees New group 10 complexes of the bulky iminophosphine ligands [Ph2PCH2C(Ph)?N(2,6-R2C6H3)], where R = Me, iPr New Journal of Chemistry, 2005, 29, 385 |
| 7050037 | CIF | C41.24 H39.47 Br2 Cl2.47 N Ni O P2 | P c a b | 13.535; 23.464; 27.85 90; 90; 90 | 8844.7 | Sofia I. Pascu; Karl S. Coleman; A. R. Cowley; Malcolm L. H. Green; Nicholas H. Rees New group 10 complexes of the bulky iminophosphine ligands [Ph2PCH2C(Ph)?N(2,6-R2C6H3)], where R = Me, iPr New Journal of Chemistry, 2005, 29, 385 |
| 7050038 | CIF | C32 H34 Br2 N P Pd | P 21 c n | 9.9766; 13.5588; 21.8426 90; 90; 90 | 2954.66 | Sofia I. Pascu; Karl S. Coleman; A. R. Cowley; Malcolm L. H. Green; Nicholas H. Rees New group 10 complexes of the bulky iminophosphine ligands [Ph2PCH2C(Ph)?N(2,6-R2C6H3)], where R = Me, iPr New Journal of Chemistry, 2005, 29, 385 |
| 7050039 | CIF | C28 H26 I2 N P Pd | P 1 21 1 | 10.4664; 16.3356; 16.3526 90; 99.3449; 90 | 2758.78 | Sofia I. Pascu; Karl S. Coleman; A. R. Cowley; Malcolm L. H. Green; Nicholas H. Rees New group 10 complexes of the bulky iminophosphine ligands [Ph2PCH2C(Ph)?N(2,6-R2C6H3)], where R = Me, iPr New Journal of Chemistry, 2005, 29, 385 |
| 7050040 | CIF | C30 H31 N P Pt | C 1 2/c 1 | 39.359; 9.388; 14.772 90; 107.83; 90 | 5196.1 | Sofia I. Pascu; Karl S. Coleman; A. R. Cowley; Malcolm L. H. Green; Nicholas H. Rees New group 10 complexes of the bulky iminophosphine ligands [Ph2PCH2C(Ph)?N(2,6-R2C6H3)], where R = Me, iPr New Journal of Chemistry, 2005, 29, 385 |
| 7050041 | CIF | C12 H36 O19 V6 | P n a 21 | 20.8343; 10.083; 13.5064 90; 90; 90 | 2837.3 | Yurii, Yablokov; Maria A. Augustyniak-Jablokow; .; Serguei Borshch; .; Daniel, Charles; Hartl, Hans EPR study of the magnetic states of mixed-valence VIV4 - VV2 alkoxypolyoxovanadium cluster New J.Chem.(Nouv.J.Chim.), 2005 |
| 7050042 | CIF | C29 H11 Cl3 F20 O P2 Re | I 41/a :2 | 26.7896; 26.7896; 22.2608 90; 90; 90 | 15976.2 | Parr, Maria L.; Perez-Acosta, Carmen; Faller, J. W. Synthesis, characterization and structural investigation of new rhenium-oxo complexes containing bidentate phosphine ligands: an exploration of chirality and conformation in chelate rings of small and large bite angle ligands New Journal of Chemistry, 2005, 29, 613 |
| 7050043 | CIF | C39 H32 Cl3 O2 P2 Re | P b c a | 17.2122; 14.1969; 28.0146 90; 90; 90 | 6845.64 | Parr, Maria L.; Perez-Acosta, Carmen; Faller, J. W. Synthesis, characterization and structural investigation of new rhenium-oxo complexes containing bidentate phosphine ligands: an exploration of chirality and conformation in chelate rings of small and large bite angle ligands New Journal of Chemistry, 2005, 29, 613 |
| 7050044 | CIF | C20 H36 F18 N2 S6 Ti | P -1 | 8.173; 10.794; 10.913 69.848; 85.759; 82.043 | 894.7 | Carmalt, Claire J.; Peters, Emily S.; Parkin, Ivan P.; Tocher, Derek A. Reactivity of tetrakisdimethylamido-titanium(iv) and -zirconium(iv) with thiols New Journal of Chemistry, 2005, 29, 620 |
| 7050045 | CIF | C40 H93 Cl4 N S9 Zr2 | P 1 21/c 1 | 11.8588; 18.7448; 27.2112 90; 94.271; 90 | 6032 | Carmalt, Claire J.; Peters, Emily S.; Parkin, Ivan P.; Tocher, Derek A. Reactivity of tetrakisdimethylamido-titanium(iv) and -zirconium(iv) with thiols New Journal of Chemistry, 2005, 29, 620 |
| 7050046 | CIF | C38 H34 N4 O4 Zn | C 2 2 21 | 10.2844; 16.5841; 75.389 90; 90; 90 | 12858.2 | Takacs, James M.; Hrvatin, Paul M.; Atkins, Jeffery M.; Reddy, D. Sahadeva; Clark, Joanna L. The selective formation of neutral, heteroleptic zinc(ii) complexes via self-discrimination of chiral bisoxazoline racemates and pseudoracemates New Journal of Chemistry, 2005, 29, 263 |
| 7050047 | CIF | C38 H34 N4 O4 Zn | P 1 21/c 1 | 17.205; 10.733; 18.407 90; 105.98; 90 | 3267.7 | Takacs, James M.; Hrvatin, Paul M.; Atkins, Jeffery M.; Reddy, D. Sahadeva; Clark, Joanna L. The selective formation of neutral, heteroleptic zinc(ii) complexes via self-discrimination of chiral bisoxazoline racemates and pseudoracemates New Journal of Chemistry, 2005, 29, 263 |
| 7050048 | CIF | C46 H39 N5 O4 Zn | P 1 | 10.7889; 10.8866; 17.2241 73.146; 88.623; 86.943 | 1933.32 | Takacs, James M.; Hrvatin, Paul M.; Atkins, Jeffery M.; Reddy, D. Sahadeva; Clark, Joanna L. The selective formation of neutral, heteroleptic zinc(ii) complexes via self-discrimination of chiral bisoxazoline racemates and pseudoracemates New Journal of Chemistry, 2005, 29, 263 |
| 7050049 | CIF | C141.5 H183.5 N7.5 O14 U | P -1 | 16.0169; 16.2046; 27.024 96.325; 96.207; 108.071 | 6551.9 | Bernardo Masci; Pierre Thuéry Synthesis of homooxacalixarenes with 5 and 10 phenol units and crystal structure of their complexes with uranyl ions New Journal of Chemistry, 2005, 29, 493 |
| 7050050 | CIF | C178 H244 N20 O28 U4 | P -1 | 13.45; 19.1428; 20.2899 117.13; 102.485; 96.117 | 4411 | Bernardo Masci; Pierre Thuéry Synthesis of homooxacalixarenes with 5 and 10 phenol units and crystal structure of their complexes with uranyl ions New Journal of Chemistry, 2005, 29, 493 |
| 7050051 | CIF | C36 H18 Ag B F24 N2 | P -1 | 12.6083; 12.8156; 13.7369 75.0063; 76.7008; 64.5828 | 1918.45 | Yanmei Zhang; Ana M. Santos; Eberhardt Herdtweck; Janos Mink; Fritz E. Kühn Organonitrile ligated silver complexes with perfluorinated weakly coordinating anions and their catalytic application for coupling reactions New Journal of Chemistry, 2005, 29, 366 |
| 7050052 | CIF | C14 H14 N6 O | C 1 c 1 | 13.2954; 12.4529; 8.5445 90; 97.917; 90 | 1401.2 | Daniel L. Reger; James R. Gardinier; Selma Bakbak; Radu F. Semeniuc; Uwe H. F. Bunz; Mark D. Smith Multitopic third generation tris(pyrazolyl)methane ligands built on alkyne structural scaffolding: first preparation of mixed tris(pyrazolyl)methane/tris(pyrazolyl)borate ligands New Journal of Chemistry, 2005, 29, 1035 |
| 7050053 | CIF | C30 H29 I N12 O2 | P -1 | 8.7819; 12.1248; 15.3073 96.84; 99.563; 105.995 | 1521.48 | Daniel L. Reger; James R. Gardinier; Selma Bakbak; Radu F. Semeniuc; Uwe H. F. Bunz; Mark D. Smith Multitopic third generation tris(pyrazolyl)methane ligands built on alkyne structural scaffolding: first preparation of mixed tris(pyrazolyl)methane/tris(pyrazolyl)borate ligands New Journal of Chemistry, 2005, 29, 1035 |
| 7050054 | CIF | C62 H58 N24 O4 | P 1 21/c 1 | 8.1473; 34.148; 11.3257 90; 109.185; 90 | 2976 | Daniel L. Reger; James R. Gardinier; Selma Bakbak; Radu F. Semeniuc; Uwe H. F. Bunz; Mark D. Smith Multitopic third generation tris(pyrazolyl)methane ligands built on alkyne structural scaffolding: first preparation of mixed tris(pyrazolyl)methane/tris(pyrazolyl)borate ligands New Journal of Chemistry, 2005, 29, 1035 |
| 7050055 | CIF | C62 H60 B2 Cl8 Fe N24 O2 | P -1 | 8.5941; 13.4373; 16.3188 103.953; 98.33; 106.999 | 1701.27 | Daniel L. Reger; James R. Gardinier; Selma Bakbak; Radu F. Semeniuc; Uwe H. F. Bunz; Mark D. Smith Multitopic third generation tris(pyrazolyl)methane ligands built on alkyne structural scaffolding: first preparation of mixed tris(pyrazolyl)methane/tris(pyrazolyl)borate ligands New Journal of Chemistry, 2005, 29, 1035 |
| 7050056 | CIF | C28 H48 Mn N7 O2 | P -1 | 9.278; 13.531; 13.9489 113.953; 90.227; 102.32 | 1555.4 | Fredy R. Pérez; Julio Belmar; Yanko Moreno; Ricardo Baggio; Octavio Peña Pyrazolone-based nitrido complexes: synthesis and nitrogen transfer to alkenes New Journal of Chemistry, 2005, 29, 283 |
| 7050057 | CIF | C36 H26 Eu2 O16 | I 41 c d | 30.392; 30.392; 15.737 90; 90; 90 | 14536 | Zheng, Xiang-Jun; Jin, Lin-Pei; Gao, Song; Lu, Shao-Zhe Second ligand-directed self-assembly of lanthanide(iii) coordination polymers with 1,4-naphthalenedicarboxylate New Journal of Chemistry, 2005, 29, 798 |
| 7050058 | CIF | C36 H25 Gd2 O15.5 | I 41 c d | 30.408; 30.408; 15.747 90; 90; 90 | 14560 | Zheng, Xiang-Jun; Jin, Lin-Pei; Gao, Song; Lu, Shao-Zhe Second ligand-directed self-assembly of lanthanide(iii) coordination polymers with 1,4-naphthalenedicarboxylate New Journal of Chemistry, 2005, 29, 798 |
| 7050059 | CIF | C51 H36 Eu2 N3 O15 | P 1 21/n 1 | 14.24; 22.191; 15.185 90; 102.98; 90 | 4676 | Zheng, Xiang-Jun; Jin, Lin-Pei; Gao, Song; Lu, Shao-Zhe Second ligand-directed self-assembly of lanthanide(iii) coordination polymers with 1,4-naphthalenedicarboxylate New Journal of Chemistry, 2005, 29, 798 |
| 7050060 | CIF | C51 H36 N3 O15 Yb2 | P 1 21/n 1 | 14.099; 21.938; 15.066 90; 103.259; 90 | 4536 | Zheng, Xiang-Jun; Jin, Lin-Pei; Gao, Song; Lu, Shao-Zhe Second ligand-directed self-assembly of lanthanide(iii) coordination polymers with 1,4-naphthalenedicarboxylate New Journal of Chemistry, 2005, 29, 798 |
| 7050061 | CIF | C48 H36 N2 O2 | P 1 c 1 | 8.777; 21.279; 9.934 90; 97.797; 90 | 1838.2 | Yan, Yun-Xing; Tao, Xu-Tang; Sun, Yuan-Hong; Wang, Chuan-Kui; Xu, Gui-Bao; Yu, Wen-Tao; Zhao, Hua-Ping; Yang, Jia-Xiang; Yu, Xiao-Qiang; Wu, Yong-Zhong; Zhao, Xian; Jiang, Min-Hua Structures and nonlinear optical properties of new symmetrical two-photon photopolymerization initiators New Journal of Chemistry, 2005, 29, 479 |
| 7050062 | CIF | C21 H20 Co2 N2 O14 | P -1 | 7.3627; 12.33; 13.929 83.439; 81.485; 72.674 | 1190.5 | Zhang, Jian; Li, Zhao-Ji; Cheng, Jian-Kai; Kang, Yao; Qin, Ye-Yan; Yao, Yuan-Gen A novel 3D framework generated by unusual pillared 2D bilayer motifs New Journal of Chemistry, 2005, 29, 421 |
| 7050063 | CIF | C16 H22 Cu N2 O7 | P -1 | 8.8868; 9.972; 10.5256 75.286; 81.777; 85.916 | 892.31 | Graf, Ernest; Wais Hosseini, Mir; Planeix, Jean-Marc; Kyritsakas, Nathalie Molecular tectonics: design of coordinating tectons based on diazamacrocycles bearing pyridine units and formation of 1D copper coordination networks New Journal of Chemistry, 2005, 29, 343 |
| 7050064 | CIF | C37 H52 Cu2 N4 O14 | P -1 | 8.6452; 11.4949; 12.4095 108.692; 93.096; 107.264 | 1100.27 | Graf, Ernest; Wais Hosseini, Mir; Planeix, Jean-Marc; Kyritsakas, Nathalie Molecular tectonics: design of coordinating tectons based on diazamacrocycles bearing pyridine units and formation of 1D copper coordination networks New Journal of Chemistry, 2005, 29, 343 |
| 7050065 | CIF | C42 H62 Ag3 N13 O17 | P 1 21/c 1 | 14.991; 17.852; 19.543 90; 100.154; 90 | 5148.2 | Laura Valencia; Rufina Bastida; Alejandro Macías; Manuel Vicente; Paulo Pérez-Lourido Synthesis and helical polymeric structure of a luminescent pendant-armed macrocyclic silver(i) complex with Ag?Ag interactions New Journal of Chemistry, 2005, 29, 424 |
| 7050066 | CIF | C6 H9 N3 S | P -1 | 8.413; 9.333; 10.846 68.71; 73.31; 76.7 | 752.5 | Kovács, Attila; Nemcsok, Dénes; Pokol, György; Mészáros Szécsényi, Katalin; Leovac, Vukadin M.; Jaćimović, Željko K.; Radosavljević Evans, Ivana; Howard, Judith A. K.; Tomić, Zoran D.; Giester, Gerald Structural, spectroscopic and computational studies of the HgL2Cl2 complex (L = 3,5-dimethyl-1-thiocarboxamide pyrazole) and the crystal structure of L New Journal of Chemistry, 2005, 29, 833 |
| 7050067 | CIF | C12 H18 Cl2 Hg N6 S2 | P -1 | 8.8204; 9.9196; 11.1329 82.063; 80.698; 83.015 | 947.1 | Kovács, Attila; Nemcsok, Dénes; Pokol, György; Mészáros Szécsényi, Katalin; Leovac, Vukadin M.; Jaćimović, Željko K.; Radosavljević Evans, Ivana; Howard, Judith A. K.; Tomić, Zoran D.; Giester, Gerald Structural, spectroscopic and computational studies of the HgL2Cl2 complex (L = 3,5-dimethyl-1-thiocarboxamide pyrazole) and the crystal structure of L New Journal of Chemistry, 2005, 29, 833 |
| 7050068 | CIF | C12 H8 Ag3 N3 O7 | P -1 | 8.1686; 10.4479; 10.8106 62.257; 69.159; 80.817 | 763.1 | Liu, Zheng; Liu, Ping; Chen, Yun; Wang, Jian; Huang, Meihua Synthesis, structures, and photoluminescent properties of two ligand unsupported silver(i) coordination polymers from isonicotinate anions New Journal of Chemistry, 2005, 29, 474 |
| 7050069 | CIF | C20 H21 I3 N4 O4 | C 1 2/c 1 | 14.0652; 15.6176; 11.5015 90; 99.635; 90 | 2490.8 | Antoniadis, Constantinos D.; Hadjikakou, Sotiris K.; Hadjiliadis, Nick; Kubicki, Maciej; Butler, Ian S. Synthesis, X-ray characterization and study of new ionic complexes of 2-pyridone, obtained by oxidation with I2 New Journal of Chemistry, 2005, 29, 714 |
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