Crystallography Open Database
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COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 7051171 | CIF | C10 H12 Br4 Cu N2 | C 1 2/c 1 | 8.162; 14.249; 13.862 90; 94.77; 90 | 1606.6 | Luque, Antonio; Sertucha, Jon; Castillo, Oscar; Román, Pascual Crystal packing and physical properties of pyridinium tetrabromocuprate(II) complexes assembled via hydrogen bonds and aromatic stacking interactions New Journal of Chemistry, 2001, 25, 1208 |
| 7051117 | CIF | C10 H18 N2 | C 1 2/c 1 | 12.7395; 28.0431; 12.2071 90; 98.0824; 90 | 4317.7 | Trofimenko, Swiatoslaw; Rheingold, Arnold L.; Liable-Sands, Louise M.; María Claramunt, Rosa; López, Concepción; Dolores Santa María, María; Elguero, Jose The molecular structure of 4-tert-butylpyrazoles in the solid state and in solution: an X-ray, NMR and calorimetric study of the buttressing effect of a 4-tert-butyl substituent New Journal of Chemistry, 2001, 25, 819 |
| 7052475 | CIF | C10 H27 Au Cl4 O8 | P 1 21/n 1 | 7.9346; 18.6728; 13.9672 90; 104.485; 90 | 2003.62 | Calleja, Maria; Mason, Sax A.; Paul D. Prince; Steed, Jonathan W.; Wilkinson, Clive Single crystal neutron and X-ray diffraction studies of (H7O3)[AuCl4]·15-crown-5 New Journal of Chemistry, 2001, 25, 1475-1478 |
| 7052476 | CIF | C10 H27 Au Cl4 O8 | P 1 21/n 1 | 7.9441; 18.6964; 13.9886 90; 104.347; 90 | 2012.9 | Calleja, Maria; Mason, Sax A.; Paul D. Prince; Steed, Jonathan W.; Wilkinson, Clive Single crystal neutron and X-ray diffraction studies of (H7O3)[AuCl4]·15-crown-5 New Journal of Chemistry, 2001, 25, 1475-1478 |
| 7051207 | CIF | C10 H28 F6 N5 Ni O2 P | P c a 21 | 12.698; 10.1097; 15.698 90; 90; 90 | 2015.2 | Montserrat Monfort; Inmaculada Resino; Joan Ribas; Xavier Solans; Mercé Font-Bardia Synthesis of N3−/SCN− bridged polynuclear complexes of nickel(II) using N,N,N'-trimethylethane-1,2-diamine as a blocking ligand: low temperature magnetic study and single crystal structure of [Ni(μ1,1-N3)(μ1,3-N3)(N,N,N'-Me3en)]n New J. Chem., 2001, 25, 1577-1582 |
| 7051182 | CIF | C11 H17 Cl Cu N6 O4 | P 1 21/n 1 | 9.0852; 16.2398; 10.8913 90; 96.881; 90 | 1595.3 | Sarathi Mukherjee, Partha; Dalai, Sudipta; Mostafa, Golam; Lu, Tian-Huey; Rentschler, Eva; Ray Chaudhuri, Nirmalendu Synthesis, crystal structure, and magnetic properties of two new Cu(II) complexes with end-to-end azido bridging ligands New Journal of Chemistry, 2001, 25, 1203 |
| 7051041 | CIF | C114 H90 Cl4 N8 Ni2 O4 | P -1 | 16.1351; 16.3746; 19.6653 109.763; 93.411; 90.83 | 4877.7 | François Jérôme; Jean-Michel Barbe; Claude P. Gros; Roger Guilard; Jean Fischer; Raymond Weiss Peculiar reactivity of face to face biscorrole and porphyrin‒corrole with a nickel(II) salt. X-Ray structural characterization of a new nickel(II) bisoxocorrole New J. Chem., 2001, 25, 93-101 |
| 7051136 | CIF | C12 H11 F3 N4 O3 Pd S | P -1 | 7.623; 10.1347; 11.927 66.511; 79.73; 81.53 | 828.6 | José Elguero; Ana Guerrero; Felipe Gómez de la Torre; Antonio de la Hoz; Félix A. Jalón; Blanca R. Manzano; Ana Rodríguez New complexes with pyrazole-containing ligands and different metallic centres. Comparative study of their fluxional behaviour involving M‒N bond rupture New J. Chem., 2001, 25, 1050-1060 |
| 7052518 | CIF | C12 H12 Cl N3 O4 | P n m a | 26.88; 6.348; 8.102 90; 90; 90 | 1382.5 | Crystal engineering of neutral N-arylpyrimidinones and their HCl and HNO3 adducts with a C‒H⋯O supramolecular synthon. Implications for non-linear optics New Journal of Chemistry, 2001, 25, 1520 |
| 7052521 | CIF | C12 H12 Cl2 N2 O | P 1 21/m 1 | 7.313; 6.668; 13.644 90; 105.23; 90 | 642 | Crystal engineering of neutral N-arylpyrimidinones and their HCl and HNO3 adducts with a C‒H⋯O supramolecular synthon. Implications for non-linear optics New Journal of Chemistry, 2001, 25, 1520 |
| 7052519 | CIF | C12 H13 Cl N2 O | P m n 21 | 6.801; 12.199; 7.327 90; 90; 90 | 607.89 | Crystal engineering of neutral N-arylpyrimidinones and their HCl and HNO3 adducts with a C‒H⋯O supramolecular synthon. Implications for non-linear optics New Journal of Chemistry, 2001, 25, 1520 |
| 7051172 | CIF | C12 H16 Br4 Cu N2 | C 1 2/c 1 | 18.789; 8.744; 15.518 90; 135.15; 90 | 1798 | Luque, Antonio; Sertucha, Jon; Castillo, Oscar; Román, Pascual Crystal packing and physical properties of pyridinium tetrabromocuprate(II) complexes assembled via hydrogen bonds and aromatic stacking interactions New Journal of Chemistry, 2001, 25, 1208 |
| 7051173 | CIF | C12 H16 Br4 Cu N2 | P 1 21/n 1 | 9.165; 13.592; 14.404 90; 102.41; 90 | 1752.4 | Luque, Antonio; Sertucha, Jon; Castillo, Oscar; Román, Pascual Crystal packing and physical properties of pyridinium tetrabromocuprate(II) complexes assembled via hydrogen bonds and aromatic stacking interactions New Journal of Chemistry, 2001, 25, 1208 |
| 7051174 | CIF | C12 H16 Br4 Cu N2 | P -1 | 8.483; 9.399; 13.227 96.29; 91.29; 116.41 | 935.8 | Luque, Antonio; Sertucha, Jon; Castillo, Oscar; Román, Pascual Crystal packing and physical properties of pyridinium tetrabromocuprate(II) complexes assembled via hydrogen bonds and aromatic stacking interactions New Journal of Chemistry, 2001, 25, 1208 |
| 7051116 | CIF | C12 H22 N2 | I 41/a :2 | 18.9969; 18.9969; 13.3498 90; 90; 90 | 4817.7 | Trofimenko, Swiatoslaw; Rheingold, Arnold L.; Liable-Sands, Louise M.; María Claramunt, Rosa; López, Concepción; Dolores Santa María, María; Elguero, Jose The molecular structure of 4-tert-butylpyrazoles in the solid state and in solution: an X-ray, NMR and calorimetric study of the buttressing effect of a 4-tert-butyl substituent New Journal of Chemistry, 2001, 25, 819 |
| 7051120 | CIF | C12 H33 Br3 Cu2 N4 O3 Zn | P 1 21/c 1 | 15.214; 10.478; 16.526 90; 113.69; 90 | 2412.4 | Elena A. Vinogradova; Olga Yu. Vassilyeva; Volodymyr N. Kokozay; Philip J. Squattrito; Jan Reedijk; Gerard A. Van Albada; Wolfgang Linert; Satish K. Tiwary; Paul R. Raithby Symmetric and asymmetric trinuclear cores in novel μ-alkoxo-bridged mixed-metal CuII2ZnII complexes: synthesis from zerovalent copper and zinc oxide, structure and magnetism New J. Chem., 2001, 25, 949-953 |
| 7051119 | CIF | C12 H33 Cl3 Cu2 N4 O3 Zn | P 1 21/c 1 | 15.004; 10.412; 16.228 90; 112.69; 90 | 2339 | Elena A. Vinogradova; Olga Yu. Vassilyeva; Volodymyr N. Kokozay; Philip J. Squattrito; Jan Reedijk; Gerard A. Van Albada; Wolfgang Linert; Satish K. Tiwary; Paul R. Raithby Symmetric and asymmetric trinuclear cores in novel μ-alkoxo-bridged mixed-metal CuII2ZnII complexes: synthesis from zerovalent copper and zinc oxide, structure and magnetism New J. Chem., 2001, 25, 949-953 |
| 7051175 | CIF | C12 H42 Co10 N8 O43 P10 | P 1 n 1 | 13.0469; 14.126; 14.2105 90; 91.11; 90 | 2618.5 | Yanxiong Ke; Gaofei He; Jianmin Li; Yugen Zhang; Sheming Lu A new mixed divalent metal phosphate with zeolite thomsonite framework topology New J. Chem., 2001, 25, 1627-1630 |
| 7052470 | CIF | C12 H6 F N O4 | P 1 21/c 1 | 10.6409; 5.9763; 16.382 90; 102.504; 90 | 1017.1 | Eastmond, Geoffrey C.; Paprotny, Jerzy; Steiner, Alexander; Swanson, Linda Synthesis of cyanodibenzo[1,4]dioxines and their derivatives by cyano-activated fluoro displacement reactions New Journal of Chemistry, 2001, 25, 379 |
| 7051214 | CIF | C12 H8 Br Cu N2 | P -1 | 7.2313; 8.9917; 9.4175 84.667; 81.705; 73.315 | 579.57 | Bosch, Eric; Barnes, Charles L. Crystal structure of kinetic and thermodynamic coordination networks formed between 3,3′-dipyridylethyne and copper bromide New Journal of Chemistry, 2001, 25, 1376 |
| 7051215 | CIF | C12 H8 Br Cu N2 | P 1 21/c 1 | 8.582; 17.6497; 7.3216 90; 91.72; 90 | 1108.5 | Bosch, Eric; Barnes, Charles L. Crystal structure of kinetic and thermodynamic coordination networks formed between 3,3′-dipyridylethyne and copper bromide New Journal of Chemistry, 2001, 25, 1376 |
| 7051216 | CIF | C12 H8.5 Ag1.5 N2 O4 | P 1 21/c 1 | 8.157; 19.586; 7.404 90; 92.8; 90 | 1181.5 | Briccyle Cova; Alexander Briceño; Reinaldo Atencio An unusual harmonisation of metal-based assemblies to achieve a mesoporous solid. Synthesis and crystal structure of a new silver(I) isonicotinate array New J. Chem., 2001, 25, 1516-1519 |
| 7051091 | CIF | C12 H9 N O | P b c n | 23.255; 11.484; 6.936 90; 90; 90 | 1852 | Touzani, Rachid; Ben-Hadda, Taibi; Elkadiri, Sghir; Ramdani, Abdelkrim; Maury, Olivier; Le Bozec, Hubert; Toupet, Loic; Dixneuf, Pierre H. Solution, solid state structure and fluorescence studies of 2,3-functionalized quinoxalines: evidence for a π-delocalized keto-enamine form with N‒H···O intramolecular hydrogen bonds New Journal of Chemistry, 2001, 25, 391 |
| 7051190 | CIF | C13 H11 Br3 Cl4 Mo3 N3 S6 | P -1 | 9.9799; 11.3713; 13.3427 101.938; 104.094; 93.366 | 1427.3 | Thomas Devic; Josep N. Bertran; Benoît Domercq; Enric Canadell; Narcis Avarvari; Pascale Auban-Senzier; Marc Fourmigué Cation radical salts of cyano(ethylenedithio)tetrathiafulvalene with halogenated anions: annihilation of the CN···Hal interaction and stabilisation of conducting, antiferromagnetic square or chain-type salts New J. Chem., 2001, 25, 1418-1424 |
| 7051146 | CIF | C13 H11 N S Se | P -1 | 8.6112; 8.8243; 9.2589 75.17; 71.033; 63.78 | 591.64 | Boryczka, Stanisław; Rozenberg, Mark S.; Schreurs, Antoine M. M.; Kroon, Jan; Starikov, Evgeni B.; Steiner, Thomas A short C‒H···N hydrogen bond with a very strong IR spectroscopic effect New Journal of Chemistry, 2001, 25, 1111 |
| 7052520 | CIF | C13 H15 Cl N2 O | P 1 21/m 1 | 7.3047; 6.7669; 13.444 90; 105.59; 90 | 640.09 | Crystal engineering of neutral N-arylpyrimidinones and their HCl and HNO3 adducts with a C‒H⋯O supramolecular synthon. Implications for non-linear optics New Journal of Chemistry, 2001, 25, 1520 |
| 7052517 | CIF | C13 H15 N3 O4 | P n m a | 26.559; 6.373; 8.079 90; 90; 90 | 1367.5 | Crystal engineering of neutral N-arylpyrimidinones and their HCl and HNO3 adducts with a C‒H⋯O supramolecular synthon. Implications for non-linear optics New Journal of Chemistry, 2001, 25, 1520 |
| 7051223 | CIF | C13 H19 Ag N4 O3 | P c a 21 | 11.717; 11.741; 10.478 90; 90; 90 | 1441.5 | Zheng, Shao-Liang; Tong, Ming-Liang; Zhu, Hai-Liang; Chen, Xiao-Ming Four two-dimensional highly undulating silver(I)–hexamethylenetetramine co-ordination networks containing micropores New Journal of Chemistry, 2001, 25, 1425 |
| 7051224 | CIF | C13 H19 Ag N4 O4 | P b c a | 11.62; 10.807; 23.145 90; 90; 90 | 2906 | Zheng, Shao-Liang; Tong, Ming-Liang; Zhu, Hai-Liang; Chen, Xiao-Ming Four two-dimensional highly undulating silver(I)–hexamethylenetetramine co-ordination networks containing micropores New Journal of Chemistry, 2001, 25, 1425 |
| 7051022 | CIF | C13 H20 O6 | P 21 21 21 | 8.4308; 10.5457; 15.6538 90; 90; 90 | 1391.76 | Banwell, Martin G.; Bray, Andrew M.; Edwards, Alison J.; Wong, David J. Chemoenzymatic synthesis of the epimeric 6C-methyl-D-mannoses from toluene New Journal of Chemistry, 2001, 25, 3 |
| 7051024 | CIF | C13 H20 O6 | P 21 21 21 | 6.5102; 8.9104; 23.7859 90; 90; 90 | 1379.78 | Banwell, Martin G.; Bray, Andrew M.; Edwards, Alison J.; Wong, David J. Chemoenzymatic synthesis of the epimeric 6C-methyl-D-mannoses from toluene New Journal of Chemistry, 2001, 25, 3 |
| 7051181 | CIF | C13 H21 Cu N5 O4 | P 1 21/c 1 | 9.497; 9.41; 18.232 90; 100.01; 90 | 1604.5 | Sarathi Mukherjee, Partha; Dalai, Sudipta; Mostafa, Golam; Lu, Tian-Huey; Rentschler, Eva; Ray Chaudhuri, Nirmalendu Synthesis, crystal structure, and magnetic properties of two new Cu(II) complexes with end-to-end azido bridging ligands New Journal of Chemistry, 2001, 25, 1203 |
| 7051023 | CIF | C13 H22 O6 | P 21 21 21 | 6.9393; 10.5584; 19.7333 90; 90; 90 | 1445.82 | Banwell, Martin G.; Bray, Andrew M.; Edwards, Alison J.; Wong, David J. Chemoenzymatic synthesis of the epimeric 6C-methyl-D-mannoses from toluene New Journal of Chemistry, 2001, 25, 3 |
| 7051032 | CIF | C13 H26 Cl O3 P | P 1 21/c 1 | 16.504; 7.561; 12.142 90; 92.54; 90 | 1513.7 | Berrigan, Rebecca A.; Russell, Douglas K.; Henderson, William; Leach, Meto T.; Nicholson, Brian K.; Woodward, Gary; Harris, Christopher Camphene-derived primary and hydroxymethyl phosphines New Journal of Chemistry, 2001, 25, 322 |
| 7052469 | CIF | C13 H7 N O2 | C 1 2/c 1 | 27.732; 7.833; 19.416 90; 106.8; 90 | 4037.6 | Eastmond, Geoffrey C.; Paprotny, Jerzy; Steiner, Alexander; Swanson, Linda Synthesis of cyanodibenzo[1,4]dioxines and their derivatives by cyano-activated fluoro displacement reactions New Journal of Chemistry, 2001, 25, 379 |
| 7051115 | CIF | C14 H18 N2 | P -1 | 11.7417; 15.7638; 16.3452 61.8921; 88.7569; 78.1825 | 2602.21 | Trofimenko, Swiatoslaw; Rheingold, Arnold L.; Liable-Sands, Louise M.; María Claramunt, Rosa; López, Concepción; Dolores Santa María, María; Elguero, Jose The molecular structure of 4-tert-butylpyrazoles in the solid state and in solution: an X-ray, NMR and calorimetric study of the buttressing effect of a 4-tert-butyl substituent New Journal of Chemistry, 2001, 25, 819 |
| 7051029 | CIF | C14 H21 N3 O2 S | P 1 21 1 | 9.309; 12.306; 13.322 90; 104.8; 90 | 1475.5 | Marcial Moreno-Mañas; Rosa M. Sebastián; Adelina Vallribera; Juan F. Piniella; Angel Álvarez-Larena; María Luisa Jimeno; José Elguero Structure of chiral pyrazoles in the solid state and in solution New J. Chem., 2001, 25, 329-335 |
| 7051221 | CIF | C14 H27 Ag2 Cl2 N9 O8 | P b c a | 18.112; 10.86; 23.781 90; 90; 90 | 4678 | Zheng, Shao-Liang; Tong, Ming-Liang; Zhu, Hai-Liang; Chen, Xiao-Ming Four two-dimensional highly undulating silver(I)–hexamethylenetetramine co-ordination networks containing micropores New Journal of Chemistry, 2001, 25, 1425 |
| 7051072 | CIF | C15 H10 N2 O2 | P 1 21/c 1 | 8.0095; 17.599; 8.826 90; 105.42; 90 | 1199.3 | Eastmond, Geoffrey C.; Gilchrist, Thomas L.; Paprotny, Jerzy; Steiner, Alexander Cyano-activated fluoro displacement reactions in the synthesis of cyanophenoxazines and related compounds New Journal of Chemistry, 2001, 25, 385 |
| 7052468 | CIF | C15 H10 N2 O2 | P 1 21/n 1 | 11.8719; 7.8232; 12.9433 90; 99.176; 90 | 1186.7 | Eastmond, Geoffrey C.; Gilchrist, Thomas L.; Paprotny, Jerzy; Steiner, Alexander Cyano-activated fluoro displacement reactions in the synthesis of cyanophenoxazines and related compounds New Journal of Chemistry, 2001, 25, 385 |
| 7051018 | CIF | C15 H15.668 Fe N O5.334 | P 1 21 1 | 7.455; 10.0294; 10.568 90; 109.2; 90 | 746.2 | Baker, Murray V.; Kraatz, Heinz-Bernhard; Wilson Quail, J. Solvent effects on the redox properties of ferrocenoyl-dipeptides New Journal of Chemistry, 2001, 25, 427 |
| 7051027 | CIF | C15 H17 N3 O2 | P 21 21 21 | 6.486; 12.445; 18.327 90; 90; 90 | 1479.3 | Marcial Moreno-Mañas; Rosa M. Sebastián; Adelina Vallribera; Juan F. Piniella; Angel Álvarez-Larena; María Luisa Jimeno; José Elguero Structure of chiral pyrazoles in the solid state and in solution New J. Chem., 2001, 25, 329-335 |
| 7051220 | CIF | C15 H20 N4 O2 | C 1 2/c 1 | 17.405; 11.06; 8.286 90; 101.83; 90 | 1561.2 | Sui, Bin; Fan, Jian; Okamura, Taka-aki; Sun, Wei-Yin; Ueyama, Norikazu Anion exchange properties of a two-dimensional coordination framework of cadmium(II) with 1,3-bis(imidazol-1-ylmethyl)-5-methylbenzene New Journal of Chemistry, 2001, 25, 1379-1381 |
| 7051213 | CIF | C16 H18 N3 | P 1 21/c 1 | 7.309; 7.698; 25.101 90; 92.13; 90 | 1411.3 | Olivier Maury; Jean-Paul Guégan; Thierry Renouard; Adam Hilton; Philippe Dupau; Nicolas Sandon; Loïc Toupet; Hubert Le Bozec Design and synthesis of 4,4'-π-conjugated[2,2']-bipyridines: a versatile class of tunable chromophores and fluorophores New J. Chem., 2001, 25, 1553-1566 |
| 7051020 | CIF | C16 H36 Cl9 N Re6 Se5 | P -1 | 10.775; 17.101; 10.602 100.83; 99.62; 87.51 | 1891.6 | Santiago Uriel; Kamal Boubekeur; Patrick Batail; Jesus Orduna; André Perrin Inertness of the [Re6Se5Cl3]5+ cluster core to substitution by OH− in organic solutions: synthesis, structural and liquid secondary ion mass spectroscopy characterization of K(H2O)2[Re6Se5Cl9] and (n-Bu4N)[Re6Se5Cl9] and the crystal structure of (n-Bu4N)2[Re6Se6Cl8] New J. Chem., 2001, 25, 737-740 |
| 7051045 | CIF | C16 H40 N6 Ni O4 | P -1 | 7.4721; 7.531; 11.0761 93.4149; 102.042; 100.486 | 596.29 | Rahaman Laskar, Inamur; Das, Debasis; Mostafa, Golam; Lu, Tian-Huey; Keng, Tai-Chiun; Wang, Ju-Chun; Ghosh, Ashutosh; Ray Chaudhuri, Nirmalendu First report on thermally induced nitro→nitrito(O,O) linkage isomerization in diamine complexes of nickel(II) in the solid state: X-ray single crystal structural analyses of nitro and nitrito isomers New Journal of Chemistry, 2001, 25, 764 |
| 7051046 | CIF | C16 H40 N6 Ni O4 | P 1 21/c 1 | 10.283; 19.467; 12.124 90; 95.4; 90 | 2416.2 | Rahaman Laskar, Inamur; Das, Debasis; Mostafa, Golam; Lu, Tian-Huey; Keng, Tai-Chiun; Wang, Ju-Chun; Ghosh, Ashutosh; Ray Chaudhuri, Nirmalendu First report on thermally induced nitro→nitrito(O,O) linkage isomerization in diamine complexes of nickel(II) in the solid state: X-ray single crystal structural analyses of nitro and nitrito isomers New Journal of Chemistry, 2001, 25, 764 |
| 7051047 | CIF | C16 H40 N6 Ni O4 | P 1 21/c 1 | 10.3131; 19.2548; 12.0523 90; 96.47; 90 | 2378.1 | Rahaman Laskar, Inamur; Das, Debasis; Mostafa, Golam; Lu, Tian-Huey; Keng, Tai-Chiun; Wang, Ju-Chun; Ghosh, Ashutosh; Ray Chaudhuri, Nirmalendu First report on thermally induced nitro→nitrito(O,O) linkage isomerization in diamine complexes of nickel(II) in the solid state: X-ray single crystal structural analyses of nitro and nitrito isomers New Journal of Chemistry, 2001, 25, 764 |
| 7051066 | CIF | C16 H51 N4 O24 P5 Zn4 | P -1 | 12.183; 12.955; 14.3375 85.988; 89.019; 68.267 | 2096.81 | Ayi, Ayi A.; Choudhury, Amitava; Natarajan, Srinivasan; Rao, C. N. R. Cyclic acetate dimers formed by C‒H···O hydrogen bonds in an open-framework zinc phosphate-acetate New Journal of Chemistry, 2001, 25, 213 |
| 7051137 | CIF | C16 H9 Co Mo O10 Ru S | P 1 21/n 1 | 10.075; 9.034; 22.973 90; 92.7; 90 | 2088.6 | Zhang Yu-hua; Yuan Jian-chao; Yin Yuan-qi; Zhou Zhong-yuan; Albert S. C. Chan Synthesis and reactions of chiral clusters containing an SRuCoMo core New J. Chem., 2001, 25, 939-944 |
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