Crystallography Open Database
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COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 7050220 | CIF | C24 H18 N3 P3 S6 | P 1 21 1 | 11.277; 9.1335; 13.561 90; 101.044; 90 | 1370.9 | Virginie Vicente; Alain Fruchier; Marc Taillefer; Corinne Combes-Chamalet; Ian J. Scowen; Françoise Plénat; Henri-Jean Cristau Synthesis and structural studies (1H, 13C, 31P NMR and X-ray) of new C-bonded cyclotriphosphazenes with heterocyclic substituents from novel phosphinic acid derivatives New J. Chem., 2004, 28, 418-424 |
| 7050221 | CIF | C25 H13 Cl3 N3 P3 S6 | I 1 2/a 1 | 19.42; 15.7094; 20.428 90; 96.673; 90 | 6189.9 | Virginie Vicente; Alain Fruchier; Marc Taillefer; Corinne Combes-Chamalet; Ian J. Scowen; Françoise Plénat; Henri-Jean Cristau Synthesis and structural studies (1H, 13C, 31P NMR and X-ray) of new C-bonded cyclotriphosphazenes with heterocyclic substituents from novel phosphinic acid derivatives New J. Chem., 2004, 28, 418-424 |
| 7050222 | CIF | C67 H95 N5 O49 S6 Yb2 | P -1 | 12.487; 17.799; 20.803 113.601; 91.155; 91.297 | 4234 | Atwood, Jerry L.; Dalgarno, Scott J.; Hardie, Michaele J.; Raston, Colin L. Hydrogen-bonded arrays of a ytterbium(iii) p-sulfonatocalix[6]arene complex New Journal of Chemistry, 2004, 28, 326 |
| 7050223 | CIF | C20 H20 Cl4 F6 Fe N4 O2 P | P c c n | 10.7371; 14.083; 17.183 90; 90; 90 | 2598.3 | Sébastien Floquet; M. Carmen Muñoz; Eric Rivière; René Clément; Jean-Paul Audière; Marie-Laure Boillot Structural effects on the magnetic properties of ferric complexes in molecular materials or a lamellar CdPS3 host matrix New J. Chem., 2004, 28, 535-541 |
| 7050224 | CIF | C20 H20 Cl5 Fe N4 O6 | P c c n | 10.4143; 13.959; 16.933 90; 90; 90 | 2461.6 | Sébastien Floquet; M. Carmen Muñoz; Eric Rivière; René Clément; Jean-Paul Audière; Marie-Laure Boillot Structural effects on the magnetic properties of ferric complexes in molecular materials or a lamellar CdPS3 host matrix New J. Chem., 2004, 28, 535-541 |
| 7050225 | CIF | C22 H29 F6 Fe N4 O4.5 P | P 1 21/c 1 | 11.837; 17.134; 13.764 90; 113.08; 90 | 2568.1 | Sébastien Floquet; M. Carmen Muñoz; Eric Rivière; René Clément; Jean-Paul Audière; Marie-Laure Boillot Structural effects on the magnetic properties of ferric complexes in molecular materials or a lamellar CdPS3 host matrix New J. Chem., 2004, 28, 535-541 |
| 7050226 | CIF | C56 H42 Mn N5 O13 S | P -1 | 12.934; 16.76; 24.609 89.859; 89.597; 83.111 | 5295.9 | Shmilovits, Michaela; Vinodu, Mikki; Goldberg, Israel Self-assembly patterns of porphyrins in crystals. Structures of hydrogen-bonding and coordination polymers of manganese tetra(carboxyphenyl)porphyrin New Journal of Chemistry, 2004, 28, 223 |
| 7050227 | CIF | C51 H39.1 Mn N5 O11.55 | P 1 21/c 1 | 13.691; 8.744; 20.593 90; 91.695; 90 | 2464.19 | Shmilovits, Michaela; Vinodu, Mikki; Goldberg, Israel Self-assembly patterns of porphyrins in crystals. Structures of hydrogen-bonding and coordination polymers of manganese tetra(carboxyphenyl)porphyrin New Journal of Chemistry, 2004, 28, 223 |
| 7050228 | CIF | C18 H16 N2 O2 Se2 | P -1 | 7.893; 7.901; 15.805 85.564; 84.968; 62.449 | 869.7 | Kumar, Sangit; Kandasamy, Karuppasamy; Singh, Harkesh B.; Butcher, Ray J. Synthesis of organochalcogens stabilized by intramolecular non-bonded interactions of sterically unhindered 2-phenyl-2-oxazolineElectronic supplementary information (ESI) available: 77Se NMR spectrum of 14, molecular structure of 16 and packing diagram of 15. See http://www.rsc.org/suppdata/nj/b3/b312364b/ New Journal of Chemistry, 2004, 28, 640 |
| 7050229 | CIF | C18 H16 N2 O2 S2 | P -1 | 7.7728; 7.7691; 15.5568 85.376; 85.84; 63.251 | 835.48 | Kumar, Sangit; Kandasamy, Karuppasamy; Singh, Harkesh B.; Butcher, Ray J. Synthesis of organochalcogens stabilized by intramolecular non-bonded interactions of sterically unhindered 2-phenyl-2-oxazolineElectronic supplementary information (ESI) available: 77Se NMR spectrum of 14, molecular structure of 16 and packing diagram of 15. See http://www.rsc.org/suppdata/nj/b3/b312364b/ New Journal of Chemistry, 2004, 28, 640 |
| 7050230 | CIF | C16 H15 N O S | P 21 21 21 | 5.6512; 7.9702; 30.441 90; 90; 90 | 1371.1 | Kumar, Sangit; Kandasamy, Karuppasamy; Singh, Harkesh B.; Butcher, Ray J. Synthesis of organochalcogens stabilized by intramolecular non-bonded interactions of sterically unhindered 2-phenyl-2-oxazolineElectronic supplementary information (ESI) available: 77Se NMR spectrum of 14, molecular structure of 16 and packing diagram of 15. See http://www.rsc.org/suppdata/nj/b3/b312364b/ New Journal of Chemistry, 2004, 28, 640 |
| 7050231 | CIF | C9 H8 Br N O Se | P b n a | 7.3118; 15.2642; 17.2559 90; 90; 90 | 1925.9 | Kumar, Sangit; Kandasamy, Karuppasamy; Singh, Harkesh B.; Butcher, Ray J. Synthesis of organochalcogens stabilized by intramolecular non-bonded interactions of sterically unhindered 2-phenyl-2-oxazolineElectronic supplementary information (ESI) available: 77Se NMR spectrum of 14, molecular structure of 16 and packing diagram of 15. See http://www.rsc.org/suppdata/nj/b3/b312364b/ New Journal of Chemistry, 2004, 28, 640 |
| 7050232 | CIF | C9 H8 I N O Se | P 1 21/c 1 | 15.416; 17.917; 7.8119 90; 102.816; 90 | 2104 | Kumar, Sangit; Kandasamy, Karuppasamy; Singh, Harkesh B.; Butcher, Ray J. Synthesis of organochalcogens stabilized by intramolecular non-bonded interactions of sterically unhindered 2-phenyl-2-oxazoline New Journal of Chemistry, 2004, 28, 640 |
| 7050233 | CIF | C39 H96 O24 Ti7 | P -1 | 12.0601; 13.733; 20.595 105.244; 91.599; 108.298 | 3101.8 | Frédérique Biechel; Julien Dubuc; Marc Henry General principles driving the chemical reactivity of titanium(IV) alkoxides New J. Chem., 2004, 28, 764-769 |
| 7050234 | CIF | C29 H68 O16 Ti4 | P -1 | 9.5168; 13.4861; 17.8842 99.008; 90.923; 105.676 | 2178.6 | Frédérique Biechel; Julien Dubuc; Marc Henry General principles driving the chemical reactivity of titanium(IV) alkoxides New J. Chem., 2004, 28, 764-769 |
| 7050235 | CIF | C33 H39 Cl N3 O10 Re | P -1 | 11.17; 11.937; 16.536 74.2; 80.21; 62.56 | 1880.3 | Nail M. Shavaleev; Andrea Barbieri; Zöe R. Bell; Michael D. Ward; Francesco Barigelletti New ligands in the 2,2'-dipyridylamine series and their Re(I) complexes; synthesis, structures and luminescence properties New J. Chem., 2004, 28, 398-405 |
| 7050236 | CIF | C23 H15 Cl N3 O3 Re | P -1 | 12.1864; 13.9338; 14.076 61.504; 85.83; 79.965 | 2068.3 | Nail M. Shavaleev; Andrea Barbieri; Zöe R. Bell; Michael D. Ward; Francesco Barigelletti New ligands in the 2,2'-dipyridylamine series and their Re(I) complexes; synthesis, structures and luminescence properties New J. Chem., 2004, 28, 398-405 |
| 7050237 | CIF | C18 H12 Cl N4 O3 Re | P -1 | 10.975; 13.661; 14.578 107.544; 111.036; 102.713 | 1808 | Nail M. Shavaleev; Andrea Barbieri; Zöe R. Bell; Michael D. Ward; Francesco Barigelletti New ligands in the 2,2'-dipyridylamine series and their Re(I) complexes; synthesis, structures and luminescence properties New J. Chem., 2004, 28, 398-405 |
| 7050238 | CIF | C18 H12 Cl N4 O3 Re | P -1 | 11.125; 14.259; 14.454 98.149; 111.39; 112.669 | 1860.6 | Nail M. Shavaleev; Andrea Barbieri; Zöe R. Bell; Michael D. Ward; Francesco Barigelletti New ligands in the 2,2'-dipyridylamine series and their Re(I) complexes; synthesis, structures and luminescence properties New J. Chem., 2004, 28, 398-405 |
| 7050239 | CIF | C21 H18 Cl N4 O3 Re | P 1 21/n 1 | 9.1998; 21.486; 21.451 90; 93.7; 90 | 4231.3 | Nail M. Shavaleev; Andrea Barbieri; Zöe R. Bell; Michael D. Ward; Francesco Barigelletti New ligands in the 2,2'-dipyridylamine series and their Re(I) complexes; synthesis, structures and luminescence properties New J. Chem., 2004, 28, 398-405 |
| 7050240 | CIF | C32 H28 N2 | P -1 | 10.1741; 10.6139; 11.3542 97.425; 90.136; 110.437 | 1137.81 | Mateo Alajarín; Angel Vidal; María-Mar Ortín; Delia Bautista Persistent radical effect in the intramolecular addition of benzylic radicals onto ketenimines: selective cross-coupling of α-(indol-2-yl)benzyl radicals with the 1-cyano-1-methylethyl radical New J. Chem., 2004, 28, 570-577 |
| 7050241 | CIF | C26 H24 N2 | P 1 21/n 1 | 7.646; 21.303; 12.505 90; 104.87; 90 | 1968.6 | Mateo Alajarín; Angel Vidal; María-Mar Ortín; Delia Bautista Persistent radical effect in the intramolecular addition of benzylic radicals onto ketenimines: selective cross-coupling of α-(indol-2-yl)benzyl radicals with the 1-cyano-1-methylethyl radical New J. Chem., 2004, 28, 570-577 |
| 7050242 | CIF | C53 H38 N2 O3 | P 1 21/c 1 | 18.3759; 25.4454; 8.74 90; 97.257; 90 | 4053.93 | Scott, Janet L.; Yamada, Tomohiko; Tanaka, Koichi Guest specific solid-state fluorescence rationalised by reference to solid-state structures and specific intermolecular interactions New Journal of Chemistry, 2004, 28, 447 |
| 7050243 | CIF | C50 H35 N O4 | P 1 21/c 1 | 16.9301; 8.5045; 25.5885 90; 92.569; 90 | 3680.58 | Scott, Janet L.; Yamada, Tomohiko; Tanaka, Koichi Guest specific solid-state fluorescence rationalised by reference to solid-state structures and specific intermolecular interactions New Journal of Chemistry, 2004, 28, 447 |
| 7050244 | CIF | C21 H26 Fe I N | P -1 | 9.7909; 13.64; 15.018 94.261; 92.364; 97.445 | 1980.5 | G. Gokel; Leonard J. Barbour; Jiaxin Hu Ferrocene Derivatives as Receptors to Explore Ammonium Cation-pi Interactions New J.Chem.(Nouv.J.Chim.), 2004 |
| 7050245 | CIF | C40 H48 Fe2 N2 O | C 1 2/c 1 | 31.69; 5.9141; 19.117 90; 110.715; 90 | 3351.2 | G. Gokel; Leonard J. Barbour; Jiaxin Hu Ferrocene Derivatives as Receptors to Explore Ammonium Cation-pi Interactions New J.Chem.(Nouv.J.Chim.), 2004 |
| 7050246 | CIF | C38 H60 Cl2 N8 O8 Ru S2 | P 1 21 1 | 9.3614; 9.8737; 24.449 90; 90.81; 90 | 2259.6 | Hotze, Anna C. G.; Kooijman, Huub; Spek, Anthony L.; Haasnoot, Jaap G.; Reedijk, Jan Synthesis and characterization of ruthenium(ii) complexes with the new ligand 2-phenylazopyridine-5-sulfonic acid (Hsazpy): in search for new anticancer agents New Journal of Chemistry, 2004, 28, 565 |
| 7050247 | CIF | C6 H14 N2 O4 | P 1 21/n 1 | 8.043; 11.427; 10.502 90; 108.089; 90 | 917.51 | Ferretti, Valeria; Bertolasi, Valerio; Pretto, Loretta Supramolecular aggregation by means of charge-assisted hydrogen bonds in acid-base adducts containing amidinium cations New Journal of Chemistry, 2004, 28, 646 |
| 7050248 | CIF | C6 H14 N2 O4 | P 1 21/n 1 | 10.429; 7.727; 11.884 90; 101.789; 90 | 937.47 | Ferretti, Valeria; Bertolasi, Valerio; Pretto, Loretta Supramolecular aggregation by means of charge-assisted hydrogen bonds in acid-base adducts containing amidinium cations New Journal of Chemistry, 2004, 28, 646 |
| 7050249 | CIF | C4 H10 N2 O2 | P n m a | 10.0507; 9.2132; 7.7953 90; 90; 90 | 721.84 | Ferretti, Valeria; Bertolasi, Valerio; Pretto, Loretta Supramolecular aggregation by means of charge-assisted hydrogen bonds in acid-base adducts containing amidinium cations New Journal of Chemistry, 2004, 28, 646 |
| 7050250 | CIF | C33 H24 O5 | P 21 21 21 | 9.9117; 14.1651; 18.1568 90; 90; 90 | 2549.22 | Tanaka, Koichi; Iwamoto, Toshimasa; Caira, Mino R. Conglomerate and racemate formation of 2,3-bisfluoren-9-ylidenesuccinic acid by inclusion complexation with achiral guest molecules New Journal of Chemistry, 2004, 28, 329 |
| 7050251 | CIF | C30 H18 O4 | P b c n | 15.8893; 9.7361; 13.328 90; 90; 90 | 2061.84 | Tanaka, Koichi; Iwamoto, Toshimasa; Caira, Mino R. Conglomerate and racemate formation of 2,3-bisfluoren-9-ylidenesuccinic acid by inclusion complexation with achiral guest molecules New Journal of Chemistry, 2004, 28, 329 |
| 7050252 | CIF | C34 H26 O6 | P 1 21/c 1 | 12.173; 12.3379; 17.7792 90; 94.282; 90 | 2662.79 | Tanaka, Koichi; Iwamoto, Toshimasa; Caira, Mino R. Conglomerate and racemate formation of 2,3-bisfluoren-9-ylidenesuccinic acid by inclusion complexation with achiral guest molecules New Journal of Chemistry, 2004, 28, 329 |
| 7050253 | CIF | C19 H18 La N6 O14.5 | C 1 2/c 1 | 33.77; 8.9; 21.83 90; 128.805; 90 | 5113 | Drew, Michael G. B.; Hill, Clement; Hudson, Michael J.; Iveson, Peter B.; Madic, Charles; Vaillant, Ludovic; Youngs, Tristan G. A. Separation of lanthanides and actinides(iii) using tridentate benzimidazole, benzoxazole and benzothiazole ligands New Journal of Chemistry, 2004, 28, 462 |
| 7050254 | CIF | C21 H14 N7 Nd O11 | P -1 | 9.094; 9.561; 15.038 98.736; 100.343; 93.335 | 1266 | Drew, Michael G. B.; Hill, Clement; Hudson, Michael J.; Iveson, Peter B.; Madic, Charles; Vaillant, Ludovic; Youngs, Tristan G. A. Separation of lanthanides and actinides(iii) using tridentate benzimidazole, benzoxazole and benzothiazole ligands New Journal of Chemistry, 2004, 28, 462 |
| 7050255 | CIF | C21 H14 N7 O11 Pr | P -1 | 8.769; 9.483; 15.525 99.735; 98.239; 93.805 | 1254 | Drew, Michael G. B.; Hill, Clement; Hudson, Michael J.; Iveson, Peter B.; Madic, Charles; Vaillant, Ludovic; Youngs, Tristan G. A. Separation of lanthanides and actinides(iii) using tridentate benzimidazole, benzoxazole and benzothiazole ligands New Journal of Chemistry, 2004, 28, 462 |
| 7050256 | CIF | C21 H14 Er N7 O11 | P -1 | 8.618; 9.458; 15.445 100.457; 97.727; 94.181 | 1221 | Drew, Michael G. B.; Hill, Clement; Hudson, Michael J.; Iveson, Peter B.; Madic, Charles; Vaillant, Ludovic; Youngs, Tristan G. A. Separation of lanthanides and actinides(iii) using tridentate benzimidazole, benzoxazole and benzothiazole ligands New Journal of Chemistry, 2004, 28, 462 |
| 7050257 | CIF | C39 H24 Eu N9 O13 | P -1 | 10.533; 10.68; 17.12 86.069; 79.225; 82.233 | 1873 | Drew, Michael G. B.; Hill, Clement; Hudson, Michael J.; Iveson, Peter B.; Madic, Charles; Vaillant, Ludovic; Youngs, Tristan G. A. Separation of lanthanides and actinides(iii) using tridentate benzimidazole, benzoxazole and benzothiazole ligands New Journal of Chemistry, 2004, 28, 462 |
| 7050258 | CIF | C39 H24 Gd N9 O13 | P -1 | 10.527; 10.643; 17.09 86.191; 79.141; 82.187 | 1861 | Drew, Michael G. B.; Hill, Clement; Hudson, Michael J.; Iveson, Peter B.; Madic, Charles; Vaillant, Ludovic; Youngs, Tristan G. A. Separation of lanthanides and actinides(iii) using tridentate benzimidazole, benzoxazole and benzothiazole ligands New Journal of Chemistry, 2004, 28, 462 |
| 7050259 | CIF | C7 H19 Cl Cu N6 O4 | P 1 21/c 1 | 7.536; 12.597; 14.629 90; 99.77; 90 | 1368.6 | Albert Escuer; Mercè Font-Bardía; Salah S. Massoud; Franz A. Mautner; Evaristo Peñalba; Xavier Solans; Ramon Vicente Three new dinuclear copper(II) complexes with [Cu(μ1,3-N3)2Cu]2+ and [Cu(μ1,1-N3)2Cu]2+ asymmetrical cores: syntheses, structures and magnetic behaviour New J. Chem., 2004, 28, 681-686 |
| 7050260 | CIF | C10 H30 Cl2 Cu2 N12 O8 | P -1 | 8.524; 8.78; 11.32 71.79; 68.88; 63.2 | 693.9 | Albert Escuer; Mercè Font-Bardía; Salah S. Massoud; Franz A. Mautner; Evaristo Peñalba; Xavier Solans; Ramon Vicente Three new dinuclear copper(II) complexes with [Cu(μ1,3-N3)2Cu]2+ and [Cu(μ1,1-N3)2Cu]2+ asymmetrical cores: syntheses, structures and magnetic behaviour New J. Chem., 2004, 28, 681-686 |
| 7050261 | CIF | C20 H50 Cl2 Cu2 N12 O8 | C 1 2/c 1 | 23.638; 11.011; 13.924 90; 104.65; 90 | 3506.3 | Albert Escuer; Mercè Font-Bardía; Salah S. Massoud; Franz A. Mautner; Evaristo Peñalba; Xavier Solans; Ramon Vicente Three new dinuclear copper(II) complexes with [Cu(μ1,3-N3)2Cu]2+ and [Cu(μ1,1-N3)2Cu]2+ asymmetrical cores: syntheses, structures and magnetic behaviour New J. Chem., 2004, 28, 681-686 |
| 7050262 | CIF | C24 H16 Cl4 Cu2 N4 O0 | C 1 c 1 | 9.875; 17.863; 13.393 90; 106.64; 90 | 2263.4 | Xu Ji-Qing; Hai-Ying Bie; Jing Lu; Jie-Hui Yu; Xiao Zhang Syntheses, Characterization and Optical Properties of Some Copper(I) Halides with 1,10-Phenanthroline Ligand New J.Chem.(Nouv.J.Chim.), 2004 |
| 7050263 | CIF | C12 H8 Cu I N2 | P -1 | 7.6507; 9.0871; 9.1094 96.74; 104.05; 109.21 | 566.55 | Xu Ji-Qing; Hai-Ying Bie; Jing Lu; Jie-Hui Yu; Xiao Zhang Syntheses, Characterization and Optical Properties of Some Copper(I) Halides with 1,10-Phenanthroline Ligand New J.Chem.(Nouv.J.Chim.), 2004 |
| 7050264 | CIF | C24 H16 Cl2 Cu2 N4 | C 1 2/c 1 | 19.627; 14.827; 15.196 90; 103.057; 90 | 4308.1 | Xu Ji-Qing; Hai-Ying Bie; Jing Lu; Jie-Hui Yu; Xiao Zhang Syntheses, Characterization and Optical Properties of Some Copper(I) Halides with 1,10-Phenanthroline Ligand New J.Chem.(Nouv.J.Chim.), 2004 |
| 7050265 | CIF | C12 H8 Br2 Cu I0 N2 | P 1 21/n 1 | 9.945; 6.5064; 18.222 90; 91.23; 90 | 1178.8 | Xu Ji-Qing; Hai-Ying Bie; Jing Lu; Jie-Hui Yu; Xiao Zhang Syntheses, Characterization and Optical Properties of Some Copper(I) Halides with 1,10-Phenanthroline Ligand New J.Chem.(Nouv.J.Chim.), 2004 |
| 7050266 | CIF | C12 H8 Br1.5 Cu1.5 N2 | C 1 2/c 1 | 10.04; 14.516; 16.319 90; 94.29; 90 | 2371.7 | Xu Ji-Qing; Hai-Ying Bie; Jing Lu; Jie-Hui Yu; Xiao Zhang Syntheses, Characterization and Optical Properties of Some Copper(I) Halides with 1,10-Phenanthroline Ligand New J.Chem.(Nouv.J.Chim.), 2004 |
| 7050267 | CIF | C12 H8 Cu1.5 I1.5 N2 | C 1 2/c 1 | 10.0495; 15.0351; 16.8237 90; 94.105; 90 | 2535.5 | Xu Ji-Qing; Hai-Ying Bie; Jing Lu; Jie-Hui Yu; Xiao Zhang Syntheses, Characterization and Optical Properties of Some Copper(I) Halides with 1,10-Phenanthroline Ligand New J.Chem.(Nouv.J.Chim.), 2004 |
| 7050268 | CIF | C18 H38 N6 Ni7 O20 | R -3 :H | 14.6951; 14.6951; 12.813 90; 90; 120 | 2396.2 | Keene, Tony D.; Hursthouse, Michael B.; Price, Daniel J. Ferromagnetic coupling in a heptanuclear nickel cluster with a vertex-shared dicubane structure New Journal of Chemistry, 2004, 28, 558 |
| 7050269 | CIF | C H7 N2 O5 P | P b c a | 7.4613; 8.9753; 17.5018 90; 90; 90 | 1172.05 | Andrew Parkin; Suzanne M. Harte; Andrés E. Goeta; Chick C. Wilson Imaging proton migration from X-rays and neutrons New J. Chem., 2004, 28, 718-721 |
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