# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-12-26T14:27:58+01:00
# Query:
# SELECT data.*
# FROM
#  data JOIN jaltnames
#  ON altname = journal
# WHERE
#  (status is null or status != 'retracted') and
#  (journal_id IN (SELECT DISTINCT(journal_id) FROM jaltnames WHERE altname LIKE 'New Journal of Chemistry') AND volume = 30 AND duplicateof IS NULL AND (status is NULL OR status != 'errors') AND (method is NULL OR method != 'theoretical'))
# ORDER BY file asc
file,a,siga,b,sigb,c,sigc,alpha,sigalpha,beta,sigbeta,gamma,siggamma,vol,sigvol,celltemp,sigcelltemp,diffrtemp,sigdiffrtemp,cellpressure,sigcellpressure,diffrpressure,sigdiffrpressure,thermalhist,pressurehist,compoundsource,nel,sg,sgHall,sgNumber,commonname,chemname,mineral,formula,calcformula,cellformula,Z,Zprime,acce_code,authors,title,journal,year,volume,issue,firstpage,lastpage,doi,method,radiation,wavelength,radType,radSymbol,Rall,Robs,Rref,wRall,wRobs,wRref,RFsqd,RI,gofall,gofobs,gofgt,gofref,duplicateof,optimal,status,flags,svnrevision,date,time,onhold
"7051509","11.2742","0.0012","12.8807","0.0013","15.1438","0.0016","88.712","0.002","89.247","0.003","85.25","0.002","2190.9","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H52 Br2 Fe2 N4 O2 -","- C48 H52 Br2 Fe2 N4 O2 -","- C96 H104 Br4 Fe4 N8 O4 -","2","1","","Bai, Yan; Zhang, Bing-Guang; Duan, Chun-Ying; Dang, Dong-Bin; Meng, Qing-Jin","Anion induced binding electrochemical signal transduction in ferrocenyl benzolimidazolium podands","New Journal of Chemistry","2006","30","2","266","","10.1039/b508173d","","","0.71073","MoKα","","0.2007","0.0634","","","0.1112","0.1667","","","","","","1.02","","","","has coordinates,has disorder","180069","2020-10-21","18:00:00",""
"7051510","12.011","0.001","21.169","0.002","27.819","0.003","90","","98.45","0.002","90","","6996.5","1.2","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C67 H69 Br3 Fe3 N6 O2 -","- C67 H63 Br3.01 Fe3 N6 O2 -","- C268 H252 Br12.04 Fe12 N24 O8 -","4","1","","Bai, Yan; Zhang, Bing-Guang; Duan, Chun-Ying; Dang, Dong-Bin; Meng, Qing-Jin","Anion induced binding electrochemical signal transduction in ferrocenyl benzolimidazolium podands","New Journal of Chemistry","2006","30","2","266","","10.1039/b508173d","","","0.71073","MoKα","","0.3928","0.076","","","0.1438","0.2371","","","","","","0.988","","","","has coordinates","180069","2020-10-21","18:00:00",""
"7051511","8.366","0.003","11.036","0.004","11.379","0.004","90","","100.58","0.006","90","","1032.7","0.6","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","1,3-dimethyl-4-nitroimidazolium methylsulfate","","","- C6 H11 N3 O6 S -","- C6 H11 N3 O6 S -","- C24 H44 N12 O24 S4 -","4","1","","Katritzky, Alan R.; Yang, Hongfang; Zhang, Dazhi; Kirichenko, Kostyantyn; Smiglak, Marcin; Holbrey, John D.; Reichert, W. Matthew; Rogers, Robin D.","Strategies toward the design of energetic ionic liquids: nitro- and nitrile-substituted N,N′-dialkylimidazolium salts","New Journal of Chemistry","2006","30","3","349","","10.1039/b509260d","","","0.71073","MoKα","","0.0531","0.0385","","","0.0928","0.0992","","","","","","1.029","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7051512","9.872","0.002","12.839","0.003","9.5949","0.0019","90","","96.63","0.004","90","","1208","0.4","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","1-ethyl-3-methyl-4-nitroimidazolium triflate","","","- C7 H10 F3 N3 O5 S -","- C7 H10 F3 N3 O5 S -","- C28 H40 F12 N12 O20 S4 -","4","1","","Katritzky, Alan R.; Yang, Hongfang; Zhang, Dazhi; Kirichenko, Kostyantyn; Smiglak, Marcin; Holbrey, John D.; Reichert, W. Matthew; Rogers, Robin D.","Strategies toward the design of energetic ionic liquids: nitro- and nitrile-substituted N,N′-dialkylimidazolium salts","New Journal of Chemistry","2006","30","3","349","","10.1039/b509260d","","","0.71073","MoKα","","0.0253","0.024","","","0.0623","0.0631","","","","","","1.062","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7051513","8.113","0.002","12.596","0.004","17.035","0.005","70.065","0.005","81.042","0.005","77.57","0.005","1591.7","0.8","173","2","173","2","","","","","","","","6","P -1","-P 1","2","1,2,3 trimethyl-4 nitroimidazolium NTf2","","","- C8 H10 F6 N4 O6 S2 -","- C8 H10 F6 N4 O6 S2 -","- C32 H40 F24 N16 O24 S8 -","4","2","","Katritzky, Alan R.; Yang, Hongfang; Zhang, Dazhi; Kirichenko, Kostyantyn; Smiglak, Marcin; Holbrey, John D.; Reichert, W. Matthew; Rogers, Robin D.","Strategies toward the design of energetic ionic liquids: nitro- and nitrile-substituted N,N′-dialkylimidazolium salts","New Journal of Chemistry","2006","30","3","349","","10.1039/b509260d","","","0.71073","MoKα","","0.0505","0.0355","","","0.0839","0.0924","","","","","","1.04","","","","has coordinates","180069","2020-10-21","18:00:00",""
"7051514","6.882","0.003","11.924","0.005","13.324","0.006","90","","96.911","0.006","90","","1085.4","0.8","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","1,3-dimethyl-2-nitroimidazolium triflate","","","- C6 H8 F3 N3 O5 S -","- C6 H8 F3 N3 O5 S -","- C24 H32 F12 N12 O20 S4 -","4","1","","Katritzky, Alan R.; Yang, Hongfang; Zhang, Dazhi; Kirichenko, Kostyantyn; Smiglak, Marcin; Holbrey, John D.; Reichert, W. Matthew; Rogers, Robin D.","Strategies toward the design of energetic ionic liquids: nitro- and nitrile-substituted N,N′-dialkylimidazolium salts","New Journal of Chemistry","2006","30","3","349","","10.1039/b509260d","","","0.71073","MoKα","","0.0328","0.0308","","","0.0808","0.0822","","","","","","1.141","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7051515","8.4703","0.0014","7.9","0.0013","8.9145","0.0015","90","","111.568","0.003","90","","554.75","0.16","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","1,3-dimethyl-4,5-dicyanoimidazolium methylsulfate","","","- C8 H10 N4 O4 S -","- C8 H7 N4 O4 S -","- C16 H14 N8 O8 S2 -","2","1","","Katritzky, Alan R.; Yang, Hongfang; Zhang, Dazhi; Kirichenko, Kostyantyn; Smiglak, Marcin; Holbrey, John D.; Reichert, W. Matthew; Rogers, Robin D.","Strategies toward the design of energetic ionic liquids: nitro- and nitrile-substituted N,N′-dialkylimidazolium salts","New Journal of Chemistry","2006","30","3","349","","10.1039/b509260d","","","0.71073","MoKα","","0.0379","0.034","","","0.0965","0.0986","","","","","","1.087","","","","has coordinates,has disorder","180069","2020-10-21","18:00:00",""
"7051516","11.1991","0.0006","15.293","0.001","19.008","0.001","75.286","0.004","86.453","0.004","82.786","0.003","3122.2","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H66 N24 O28.5 S4 -","- C40 H66 N24 O28.3 S4 -","- C80 H132 N48 O56.6 S8 -","2","1","","Lazar, Adina N.; Danylyuk, Oksana; Suwinska, Kinga; Coleman, Anthony W.","Assembly modes in the solid state structure of the complexes of melamine mono-cations with para-calix[4]arene sulfonic acid and calix[4]arene dihydroxyphosphonic acid","New Journal of Chemistry","2006","30","1","59","","10.1039/b510232b","","","0.71073","MoKα","","0.106","0.069","","","0.1476","0.1598","","","","","","1.08","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7051517","22.1727","0.0009","12.4313","0.0007","19.508","0.001","90","","103.281","0.003","90","","5233.3","0.5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C39 H68 N18 O20 P2 -","- C39 H68 N18 O20 P2 -","- C156 H272 N72 O80 P8 -","4","1","","Lazar, Adina N.; Danylyuk, Oksana; Suwinska, Kinga; Coleman, Anthony W.","Assembly modes in the solid state structure of the complexes of melamine mono-cations with para-calix[4]arene sulfonic acid and calix[4]arene dihydroxyphosphonic acid","New Journal of Chemistry","2006","30","1","59","","10.1039/b510232b","","","0.71073","MoKα","","0.1013","0.0565","","","0.0978","0.1104","","","","","","1.005","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7051525","8.2263","0.0016","8.5046","0.0017","9.812","0.002","111.91","0.03","90.79","0.03","102.23","0.03","619.2","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C8 H11 B F4 N6 O2 -","- C8 H11 B F4 N6 O2 -","- C16 H22 B2 F8 N12 O4 -","2","1","","Armentano, Donatella; De Munno, Giovanni; Rossi, Rachele","The counterion as a useful tool to obtain complexes of cytosine with alkali metal ions","New Journal of Chemistry","2006","30","1","13","","10.1039/b511009b","","","0.71073","MoKα","","0.0734","0.0586","","","0.2534","0.262","","","","","","1.242","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7051526","10.014","0.003","11.025","0.003","14.399","0.003","78.36","0.02","84.6","0.02","75.62","0.02","1506.6","0.7","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C4 H7.66667 Cl N3 Na O6.33333 -","- C4 H7.66667 Cl N3 Na O6.33333 -","- C24 H46 Cl6 N18 Na6 O38 -","6","3","","Armentano, Donatella; De Munno, Giovanni; Rossi, Rachele","The counterion as a useful tool to obtain complexes of cytosine with alkali metal ions","New Journal of Chemistry","2006","30","1","13","","10.1039/b511009b","","","0.71073","MoKα","","0.128","0.0687","","","0.1888","0.2173","","","","","","0.94","","","","has coordinates","183806","2020-10-21","18:00:00",""
"7051527","9.9433","0.0012","10.9857","0.0015","14.691","0.002","75.706","0.007","70.487","0.005","73.88","0.005","1431.9","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C4 H7 Cl N3 Na O6 -","- C4 H7 Cl N3 Na O6 -","- C24 H42 Cl6 N18 Na6 O36 -","6","3","","Armentano, Donatella; De Munno, Giovanni; Rossi, Rachele","The counterion as a useful tool to obtain complexes of cytosine with alkali metal ions","New Journal of Chemistry","2006","30","1","13","","10.1039/b511009b","","","0.71073","MoKα","","0.0947","0.0756","","","0.2286","0.2434","","","","","","1.11","","","","has coordinates","183806","2020-10-21","18:00:00",""
"7051528","26.2548","0.0008","26.2548","0.0008","12.7555","0.0005","90","","90","","90","","8792.6","0.5","120","2","120","2","","","","","","","","5","P 42/n c m :2","-P 4ac 2ac","138","","","","- C48 H48 Cl N32 O24 -","- C48 H48 Cl N32 O24.02 -","- C192 H192 Cl4 N128 O96.08 -","4","0.25","","Lyudmila G. Kuz'mina; Artem I. Vedernikov; Natalia A. Lobova; Judith A. K. Howard; Yuri A. Strelenko; Vladimir P. Fedin; Michael V. Alfimov; Sergey P. Gromov","Photoinduced and dark complexation of unsaturated viologen analogues containing two ammonium tails with cucurbit[8]uril","New Journal of Chemistry","2006","30","3","458","","10.1039/b511456j","","","0.71073","MoKα","","0.2546","0.1903","","","0.4958","0.5266","","","","","","1.941","","","","has coordinates","180069","2020-10-21","18:00:00",""
"7051529","15.521","0.0007","25.5665","0.0011","32.4483","0.0014","90","","101.039","0.002","90","","12637.8","1","120","0.2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C98 H104 Br1.52 Cl2.48 N52 O35.1 -","- C98 H104 Br1.522 Cl2.478 N52 O35.584 -","- C392 H416 Br6.088 Cl9.912 N208 O142.336 -","4","1","","Lyudmila G. Kuz'mina; Artem I. Vedernikov; Natalia A. Lobova; Judith A. K. Howard; Yuri A. Strelenko; Vladimir P. Fedin; Michael V. Alfimov; Sergey P. Gromov","Photoinduced and dark complexation of unsaturated viologen analogues containing two ammonium tails with cucurbit[8]uril","New Journal of Chemistry","2006","30","3","458","","10.1039/b511456j","","","0.71073","MoKα","","0.3045","0.1253","","","0.3255","0.3702","","","","","","0.921","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7051530","12.07","0.03","16.8","0.03","17.13","0.03","72.25","0.16","74.7","0.2","71.82","0.14","3088","12","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H50 F N5 O2 -","- C32 H50 F N5 O2 -","- C128 H200 F4 N20 O8 -","4","2","","Brooks, Simon J.; Edwards, Peter R.; Gale, Philip A.; Light, Mark E.","Carboxylate complexation by a family of easy-to-make ortho-phenylenediamine based bis-ureas: studies in solution and the solid state","New Journal of Chemistry","2006","30","1","65","","10.1039/b511963d","","","0.71073","MoKα","","0.2021","0.096","","","0.1573","0.1877","","","","","","1.053","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7051531","18.298","0.005","9.0305","0.0014","20.379","0.005","90","","101.76","0.02","90","","3296.7","1.3","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H50 Cl N5 O2 -","- C32 H50 Cl N5 O2 -","- C128 H200 Cl4 N20 O8 -","4","1","","Brooks, Simon J.; Edwards, Peter R.; Gale, Philip A.; Light, Mark E.","Carboxylate complexation by a family of easy-to-make ortho-phenylenediamine based bis-ureas: studies in solution and the solid state","New Journal of Chemistry","2006","30","1","65","","10.1039/b511963d","","","0.71073","MoKα","","0.2671","0.1843","","","0.4916","0.5371","","","","","","1.895","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7051532","7.9841","0.0003","26.3041","0.0011","8.9855","0.0002","90","","103.535","0.002","90","","1834.68","0.11","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H18 N4 S2 -","- C20 H18 N4 S2 -","- C80 H72 N16 S8 -","4","1","","Brooks, Simon J.; Edwards, Peter R.; Gale, Philip A.; Light, Mark E.","Carboxylate complexation by a family of easy-to-make ortho-phenylenediamine based bis-ureas: studies in solution and the solid state","New Journal of Chemistry","2006","30","1","65","","10.1039/b511963d","","","0.71073","MoKα","","0.1028","0.0522","","","0.1063","0.1242","","","","","","1.018","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7051533","13.0454","0.0005","5.0255","0.001","13.777","0.002","90","","96.005","0.009","90","","898.3","0.2","173","","","","","","","","","","Local laboratory","6","P 1 2/c 1","-P 2yc","13","","","","- C18 H14 Cl2 Hg N4 O2 -","- C18 H14 Cl2 Hg N4 O2 -","- C36 H28 Cl4 Hg2 N8 O4 -","2","0.5","","Pansanel, Jérôme; Jouaiti, Abdelaziz; Ferlay, Sylvie; Wais Hosseini, Mir; Planeix, Jean-Marc; Kyritsakas, Nathalie","Molecular tectonics: generation of 2-D molecular networks by combination of coordination and hydrogen bonds","New Journal of Chemistry","2006","30","1","71","","10.1039/b512569n","","","0.71073","MoKα","","0.0484","0.0328","","","0.0784","0.0912","","","","","","1.081","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7051534","8.3336","0.0002","9.2373","0.0002","11.4459","0.0003","90","","94.207","0.005","90","","878.73","0.04","173","","173","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H14 Cl2 Hg N4 O2 -","- C18 H14 Cl2 Hg0.5 N4 O2 -","- C36 H28 Cl4 Hg N8 O4 -","2","0.5","","Pansanel, Jérôme; Jouaiti, Abdelaziz; Ferlay, Sylvie; Wais Hosseini, Mir; Planeix, Jean-Marc; Kyritsakas, Nathalie","Molecular tectonics: generation of 2-D molecular networks by combination of coordination and hydrogen bonds","New Journal of Chemistry","2006","30","1","71","","10.1039/b512569n","","","0.71073","Mo-Kα","","0.026","0.017","","0.036","","0.022","","","1.507","","","0.976","","","","has coordinates","180069","2020-10-21","18:00:00",""
"7051535","11.4271","0.001","6.9958","0.0019","15.189","0.003","90","","98.054","0.011","90","","1202.3","0.4","295","2","295","2","","","","","","","","3","P 1 21 1","P 2yb","4","25R,5beta-spirostane-1beta,3alpha-diol","","","- C27 H44 O4 -","- C27 H44 O4 -","- C54 H88 O8 -","2","1","","Munro, Orde Q.; du Toit, Karen; Drewes, Siegfried E.; Crouch, Neil R.; Mulholland, Dulcie A.","Experimental and theoretical studies of a naturally occurring non-oligomeric steroidal supramolecular zipper","New Journal of Chemistry","2006","30","2","197","","10.1039/b513734a","","","0.71073","MoKα","","0.0414","0.038","","","0.1006","0.1038","","","","","","1.08","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7051536","7.9","0.002","10.14","0.003","23.717","0.004","90","","90","","90","","1899.9","0.8","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H18 N2 O7 S -","- C19 H18 N2 O7 S -","- C76 H72 N8 O28 S4 -","4","1","","Stefanowicz, Piotr; Jaremko, Łukasz; Jaremko, Mariusz; Lis, Tadeusz","Crystal-state studies on p-toluenesulfonates of N-oxyimides—a possible structural basis of serine proteases inhibition","New Journal of Chemistry","2006","30","2","258","","10.1039/b513741a","","","0.71073","MoKα","","0.0431","0.0333","","","0.0657","0.0677","","","","","","1.023","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7051537","9.847","0.003","11.791","0.003","11.014","0.003","90","","110.58","0.03","90","","1197.2","0.6","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H11 N O5 S -","- C11 H11 N O5 S -","- C44 H44 N4 O20 S4 -","4","1","","Stefanowicz, Piotr; Jaremko, Łukasz; Jaremko, Mariusz; Lis, Tadeusz","Crystal-state studies on p-toluenesulfonates of N-oxyimides—a possible structural basis of serine proteases inhibition","New Journal of Chemistry","2006","30","2","258","","10.1039/b513741a","","","0.71073","MoKα","","0.047","0.0423","","","0.1193","0.1229","","","","","","1.059","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7051538","7.764","0.002","10.265","0.003","19.787","0.004","90","","90","","90","","1577","0.7","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H16 N2 O7 S -","- C14 H16 N2 O7 S -","- C56 H64 N8 O28 S4 -","4","1","","Stefanowicz, Piotr; Jaremko, Łukasz; Jaremko, Mariusz; Lis, Tadeusz","Crystal-state studies on p-toluenesulfonates of N-oxyimides—a possible structural basis of serine proteases inhibition","New Journal of Chemistry","2006","30","2","258","","10.1039/b513741a","","","0.71073","MoKα","","0.0524","0.0422","","","0.0824","0.0858","","","","","","1.048","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7051539","14.343","","6.654","0.004","15.08","0.002","90","","108.16","0.03","90","","1367.5","0.9","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H11 N O5 S -","- C15 H11 N O5 S -","- C60 H44 N4 O20 S4 -","4","1","","Stefanowicz, Piotr; Jaremko, Łukasz; Jaremko, Mariusz; Lis, Tadeusz","Crystal-state studies on p-toluenesulfonates of N-oxyimides—a possible structural basis of serine proteases inhibition","New Journal of Chemistry","2006","30","2","258","","10.1039/b513741a","","","0.71073","MoKα","","0.0795","0.0563","","","0.1441","0.1567","","","","","","1.156","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7051540","14.192","0.005","12.461","0.004","20.49","0.005","90","","105.51","0.03","90","","3491.6","1.9","180","2","180","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Lutetium betain-complex","","","- C84 H80 Lu2 O4 P2 -","- C84 H80 Lu2 O4 P2 -","- C168 H160 Lu4 O8 P4 -","2","0.5","","Rufanov, Konstantin A.; Müller, Bernd H.; Spannenberg, Anke; Rosenthal, Uwe","Synthesis and molecular structures of the first phosphoranylidene complexes of rare earth metals","New Journal of Chemistry","2006","30","1","29","","10.1039/b514439f","","","0.71073","MoKα","","0.1371","0.0843","","","0.1929","0.2278","","","","","","0.928","","","","has coordinates","180069","2020-10-21","18:00:00",""
"7051541","9.7457","0.0018","10.0458","0.0018","10.715","0.002","73.76","0.02","85.61","0.02","89.94","0.02","1004","0.3","150","2","150","2","","","","","","","","4","P -1","-P 1","2","Triphenylphosphonium-ortho-methoxybenzylide","Triphenylphosphonium-ortho-methoxybenzylide","","- C26 H23 O P -","- C26 H23 O P -","- C52 H46 O2 P2 -","2","1","","Rufanov, Konstantin A.; Müller, Bernd H.; Spannenberg, Anke; Rosenthal, Uwe","Synthesis and molecular structures of the first phosphoranylidene complexes of rare earth metals","New Journal of Chemistry","2006","30","1","29","","10.1039/b514439f","","","0.71073","MoKα","","0.0537","0.0374","","","0.0889","0.0937","","","","","","0.934","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7051542","12.513","0.003","14.455","0.003","19.023","0.004","86.89","0.03","75.64","0.03","70.68","0.03","3144.1","1.4","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C68 H72 O6 P2 Y2 -","- C68 H72 O6 P2 Y2 -","- C136 H144 O12 P4 Y4 -","2","1","","Rufanov, Konstantin A.; Müller, Bernd H.; Spannenberg, Anke; Rosenthal, Uwe","Synthesis and molecular structures of the first phosphoranylidene complexes of rare earth metals","New Journal of Chemistry","2006","30","1","29","","10.1039/b514439f","","","0.71073","MoK\α","","0.1193","0.0624","","","0.1338","0.1511","","","","","","0.899","","","","has coordinates,has disorder","180069","2020-10-21","18:00:00",""
"7051543","10.1222","0.0013","13.6129","0.0013","16.5563","0.0015","90","","90","","90","","2281.3","0.4","160","2","160","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C21 H34 B N6 Nb -","- C21 H34 B N6 Nb -","- C84 H136 B4 N24 Nb4 -","4","1","","Teuma, Emmanuelle; Etienne, Michel; Donnadieu, Bruno; McGrady, G. Sean","Synthesis and structural characterisation of [TpMe2Nb(CH3)2(CH3CCCH3)] and [TpMe2NbCl(CH3)(CH3CCCH3)]: is there an intrinsic α-agostic interaction in alkyl complexes of the [TpMe2Nb(alkyne)] moiety?","New Journal of Chemistry","2006","30","3","409","","10.1039/b514820k","","","0.71073","MoKα","","0.0404","0.0318","","","0.0745","0.0776","","","","","","1.002","","","","has coordinates","180069","2020-10-21","18:00:00",""
"7051544","10.0681","0.0014","13.6445","0.0012","16.4959","0.0013","90","","90","","90","","2266.1","0.4","160","2","160","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C20 H31 B Cl N6 Nb -","- C20 H31 B Cl N6 Nb -","- C80 H124 B4 Cl4 N24 Nb4 -","4","1","","Teuma, Emmanuelle; Etienne, Michel; Donnadieu, Bruno; McGrady, G. Sean","Synthesis and structural characterisation of [TpMe2Nb(CH3)2(CH3CCCH3)] and [TpMe2NbCl(CH3)(CH3CCCH3)]: is there an intrinsic α-agostic interaction in alkyl complexes of the [TpMe2Nb(alkyne)] moiety?","New Journal of Chemistry","2006","30","3","409","","10.1039/b514820k","","","0.71073","MoKα","","0.0863","0.0473","","","0.0892","0.1005","","","","","","0.942","","","","has coordinates,has disorder","180069","2020-10-21","18:00:00",""
"7051545","9.4023","0.0005","15.7925","0.0005","16.3876","0.0005","90","","90","","90","","2433.33","0.17","120","2","120","2","","","","","","","synthesis as described","6","P 21 21 21","P 2ac 2ab","19","","","","- C16 H31 Cl2 N5 Ni O9 -","- C16 H29 Cl2 N5 Ni O9 -","- C64 H116 Cl8 N20 Ni4 O36 -","4","1","","El Ghachtouli, Sanae; Cadiou, Cyril; Déchamps-Olivier, Isabelle; Chuburu, Françoise; Aplincourt, Michel; Patinec, Véronique; Le Baccon, Michel; Handel, Henri; Roisnel, Thierry","Nickel(ii) complexes of cyclen- and cyclam-pyridine: topological reorganisations induced by electron transfer","New Journal of Chemistry","2006","30","3","392","","10.1039/b515107d","","x-ray","0.71073","MoKα","","0.0679","0.0435","","","0.1082","0.124","","","","","","1.011","","","","has coordinates","180069","2020-10-21","18:00:00",""
"7051546","14.6107","0.0002","14.6567","0.0002","21.6728","0.0003","90","","90","","90","","4641.11","0.11","120","2","120","2","","","","","","","synthesis as described","6","P b c a","-P 2ac 2ab","61","","","","- C16 H28 Cl2 N6 Ni O8 -","- C16 H28 Cl2 N6 Ni O8 -","- C128 H224 Cl16 N48 Ni8 O64 -","8","1","","El Ghachtouli, Sanae; Cadiou, Cyril; Déchamps-Olivier, Isabelle; Chuburu, Françoise; Aplincourt, Michel; Patinec, Véronique; Le Baccon, Michel; Handel, Henri; Roisnel, Thierry","Nickel(ii) complexes of cyclen- and cyclam-pyridine: topological reorganisations induced by electron transfer","New Journal of Chemistry","2006","30","3","392","","10.1039/b515107d","","x-ray","0.71073","MoKα","","0.0493","0.037","","","0.0922","0.0997","","","","","","1.061","","","","has coordinates","180069","2020-10-21","18:00:00",""
"7051547","14.2314","0.0011","12.7251","0.0011","15.5407","0.0012","90","","98.313","0.004","90","","2784.8","0.4","120","2","120","2","","","","","","","synthesis as described","6","P 1 21 1","P 2yb","4","","","","- C20 H35 Cl2 N7 Ni O8 -","- C20 H35 Cl2 N7 Ni O8 -","- C80 H140 Cl8 N28 Ni4 O32 -","4","2","","El Ghachtouli, Sanae; Cadiou, Cyril; Déchamps-Olivier, Isabelle; Chuburu, Françoise; Aplincourt, Michel; Patinec, Véronique; Le Baccon, Michel; Handel, Henri; Roisnel, Thierry","Nickel(ii) complexes of cyclen- and cyclam-pyridine: topological reorganisations induced by electron transfer","New Journal of Chemistry","2006","30","3","392","","10.1039/b515107d","","x-ray","0.71073","MoKα","","0.1285","0.1009","","","0.2005","0.2187","","","","","","1.151","","","","has coordinates","180069","2020-10-21","18:00:00",""
"7051550","8.161","0.0001","19.739","0.0001","14.516","0.0001","90","","104.864","0.0004","90","","2260.13","0.03","110","","110","","","","","","","","see text","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H44 Ni P2 -","- C20 H44 Ni P2 -","- C80 H176 Ni4 P8 -","4","1","","Scherer, Wolfgang; Eickerling, Georg; Shorokhov, Dmitry; Gullo, Emanuel; McGrady, G. Sean; Sirsch, Peter","Valence shell charge concentrations and the Dewar‒Chatt‒Duncanson bonding model","New Journal of Chemistry","2006","30","3","309","","10.1039/b515171f","","","0.71073","MoKa","","0.0174","0.0692","","","","0.0205","","","","","","0.739","","","","has coordinates","180069","2020-10-21","18:00:00",""
"7051551","8.329","0.002","23.399","0.006","9.458","0.003","90","","108.075","0.009","90","","1752.3","0.8","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","N'-Acetyl-2-(octyloxy)benzohydrazide","","","- C17 H26 N2 O3 -","- C17 H26 N2 O3 -","- C68 H104 N8 O12 -","4","1","","Yang, Yong; Zhang, Ya-Zhou; Tang, Ya-Lin; Chen, Chuan-Feng","A programmed hydrogen bonding array self-assembles into a polymeric zipper-like architecture","New Journal of Chemistry","2006","30","2","140","","10.1039/b515559b","","","0.71073","MoKα","","0.0766","0.0497","","","0.1166","0.1356","","","","","","1.026","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7051552","28.56","0.02","14.706","0.01","15.859","0.011","90","","113.1","0.02","90","","6127","7","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C28 H46 N4 O6 -","- C28 H46 N4 O6 -","- C224 H368 N32 O48 -","8","1","","Yang, Yong; Zhang, Ya-Zhou; Tang, Ya-Lin; Chen, Chuan-Feng","A programmed hydrogen bonding array self-assembles into a polymeric zipper-like architecture","New Journal of Chemistry","2006","30","2","140","","10.1039/b515559b","","","0.71073","MoKα","","0.3462","0.125","","","0.2706","0.3791","","","","","","1.008","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7051553","30.4401","0.0014","21.4415","0.001","22.4453","0.0011","90","","110.96","0.0008","90","","13680.3","1.1","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C73.5 H53 Au2 Cl3 F10 P4 Pt -","- C73.5 H51 Au2 Cl3 F10 P4 Pt -","- C588 H408 Au16 Cl24 F80 P32 Pt8 -","8","2","","Berenguer, Jesús R.; Chaouche, Naima; Forniés, Juan; Fortuño, Consuelo; Martín, Antonio","Coordination of a monomeric diphosphido platinum complex as a bridging ligand","New Journal of Chemistry","2006","30","3","473","","10.1039/b517726j","","","0.71073","MoKα","","0.0502","0.032","","","0.0578","0.0603","","","","","","1.018","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7051554","12.682","0.0001","23.978","0.0003","21.791","0.0003","90","","101.224","0.001","90","","6499.66","0.13","223","2","223","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C72 H50 Ag2 F10 P4 Pt -","- C72 H50 Ag2 F10 P4 Pt -","- C288 H200 Ag8 F40 P16 Pt4 -","4","1","","Berenguer, Jesús R.; Chaouche, Naima; Forniés, Juan; Fortuño, Consuelo; Martín, Antonio","Coordination of a monomeric diphosphido platinum complex as a bridging ligand","New Journal of Chemistry","2006","30","3","473","","10.1039/b517726j","","","0.71073","MoKα","","0.0519","0.0316","","","0.0874","0.1236","","","","","","1.03","","","","has coordinates","180069","2020-10-21","18:00:00",""
"7052223","34.86","0.04","14.79","0.017","40.64","0.04","90","","97.108","0.01","90","","20792","4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C81 H115 N27 O20.5 Y2 -","- C81 H105 N27 O20.5 Y2 -","- C648 H840 N216 O164 Y16 -","8","1","","Michael J. Hudson; Carole E. Boucher; Damien Braekers; Jean F. Desreux; Michael G. B. Drew; Mark R. St J. Foreman; Laurence M. Harwood; Clément Hill; Charles Madic; Frank Marken; Tristan G. A. Youngs","New bis(triazinyl) pyridines for selective extraction of americium(<small>III</small>)","New Journal of Chemistry","2006","30","8","1171","","10.1039/b514108g","","","0.71073","MoKα","","0.2879","0.094","","","0.2028","0.2678","","","","","","0.841","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7052224","14.496","0.015","11.318","0.012","16.793","0.018","90","","102.403","0.01","90","","2691","5","293","2","293","2","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C27 H35 N7 -","- C27 H35 N7 -","- C108 H140 N28 -","4","1","","Michael J. Hudson; Carole E. Boucher; Damien Braekers; Jean F. Desreux; Michael G. B. Drew; Mark R. St J. Foreman; Laurence M. Harwood; Clément Hill; Charles Madic; Frank Marken; Tristan G. A. Youngs","New bis(triazinyl) pyridines for selective extraction of americium(<small>III</small>)","New Journal of Chemistry","2006","30","8","1171","","10.1039/b514108g","","","0.71073","MoKα","","0.1778","0.0874","","","0.2086","0.2422","","","","","","0.937","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7052225","9.4608","0.0012","17.042","0.002","20.513","0.003","90","","98.124","0.002","90","","3274.1","0.7","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H43 N4 O6 P -","- C32 H43 N4 O6 P -","- C128 H172 N16 O24 P4 -","4","1","","Kumar, K. V. P. Pavan; Kumar, N. Satish; Kumara Swamy, K. C.","Structurally diverse penta- and hexacoordinate phosphorus compounds from the reaction of diethyl or diisopropyl azodicarboxylates with phosphorus(iii) compounds","New Journal of Chemistry","2006","30","5","717","","10.1039/b514839a","","","0.71073","MoKα","","0.0646","0.0473","","","0.1333","0.1431","","","","","","1.043","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7052226","17.235","0.003","18.659","0.004","13.113","0.003","90","","90","","90","","4217","1.5","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C41 H55 N4 O6 P -","- C41 H55 N4 O6 P -","- C164 H220 N16 O24 P4 -","4","0.5","","Kumar, K. V. P. Pavan; Kumar, N. Satish; Kumara Swamy, K. C.","Structurally diverse penta- and hexacoordinate phosphorus compounds from the reaction of diethyl or diisopropyl azodicarboxylates with phosphorus(iii) compounds","New Journal of Chemistry","2006","30","5","717","","10.1039/b514839a","","","0.71073","MoKα","","0.1132","0.0487","","","0.13","0.164","","","","","","0.989","","","","has coordinates,has disorder","180076","2020-10-21","18:00:00",""
"7052227","16.7166","0.0011","15.0867","0.0019","19.0574","0.0014","90","","106.401","0.013","90","","4610.7","0.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C47 H58 N3 O7 P -","- C47 H58 N3 O7 P -","- C188 H232 N12 O28 P4 -","4","1","","Kumar, K. V. P. Pavan; Kumar, N. Satish; Kumara Swamy, K. C.","Structurally diverse penta- and hexacoordinate phosphorus compounds from the reaction of diethyl or diisopropyl azodicarboxylates with phosphorus(iii) compounds","New Journal of Chemistry","2006","30","5","717","","10.1039/b514839a","","","0.71073","MoKα","","0.2268","0.0724","","","0.1616","0.2228","","","","","","1.018","","","","has coordinates","180076","2020-10-21","18:00:00",""
"7052228","11.9655","0.0009","22.0001","0.0017","13.987","0.0011","90","","94.257","0.001","90","","3671.8","0.5","273","2","273","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C33 H50 N3 O6 P S -","- C33 H50 N3 O6 P S -","- C132 H200 N12 O24 P4 S4 -","4","1","","Kumar, K. V. P. Pavan; Kumar, N. Satish; Kumara Swamy, K. C.","Structurally diverse penta- and hexacoordinate phosphorus compounds from the reaction of diethyl or diisopropyl azodicarboxylates with phosphorus(iii) compounds","New Journal of Chemistry","2006","30","5","717","","10.1039/b514839a","","","0.71073","MoKα","","0.0566","0.0404","","","0.1047","0.1163","","","","","","1.014","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7052229","10.4788","0.0007","10.866","0.0007","16.3413","0.0011","92.567","0.001","103.112","0.001","111.997","0.001","1662.8","0.19","273","2","273","2","","","","","","","","7","P -1","-P 1","2","","","","- C30 H42 Cl N2 O6 P S -","- C30 H42 Cl N2 O6 P S -","- C60 H84 Cl2 N4 O12 P2 S2 -","2","1","","Kumar, K. V. P. Pavan; Kumar, N. Satish; Kumara Swamy, K. C.","Structurally diverse penta- and hexacoordinate phosphorus compounds from the reaction of diethyl or diisopropyl azodicarboxylates with phosphorus(iii) compounds","New Journal of Chemistry","2006","30","5","717","","10.1039/b514839a","","","0.71073","MoKα","","0.0607","0.0418","","","0.1051","0.1125","","","","","","0.962","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7052230","9.274","0.002","17.798","0.003","24.057","0.007","90","","96.367","0.015","90","","3946.3","1.6","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C38 H50 N3 O6 P S -","- C38 H50 N3 O6 P S -","- C152 H200 N12 O24 P4 S4 -","4","1","","Kumar, K. V. P. Pavan; Kumar, N. Satish; Kumara Swamy, K. C.","Structurally diverse penta- and hexacoordinate phosphorus compounds from the reaction of diethyl or diisopropyl azodicarboxylates with phosphorus(iii) compounds","New Journal of Chemistry","2006","30","5","717","","10.1039/b514839a","","","0.71073","MoKα","","0.1382","0.0575","","","0.1373","0.1938","","","","","","1.046","","","","has coordinates","180076","2020-10-21","18:00:00",""
"7052231","19.6085","0.0011","19.8928","0.0011","19.3009","0.0011","90","","111.853","0.001","90","","6987.7","0.7","273","2","273","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C33 H45 N4 O6 P S -","- C33 H45 N4 O6 P S -","- C264 H360 N32 O48 P8 S8 -","8","2","","Kumar, K. V. P. Pavan; Kumar, N. Satish; Kumara Swamy, K. C.","Structurally diverse penta- and hexacoordinate phosphorus compounds from the reaction of diethyl or diisopropyl azodicarboxylates with phosphorus(iii) compounds","New Journal of Chemistry","2006","30","5","717","","10.1039/b514839a","","","0.71073","MoKα","","0.0686","0.0484","","","0.1352","0.1445","","","","","","1.031","","","","has coordinates","180076","2020-10-21","18:00:00",""
"7052232","10.6859","0.0004","10.7325","0.0004","14.5858","0.0005","73.297","0.003","74.559","0.003","77.321","0.003","1525.75","0.1","295","2","295","2","","","","","","","","3","P -1","-P 1","2","2,3-bis(4-benzyloxy-3-methoxy-benzilidene)-succinic acid methanol solvate","2,3-bis(4-benzyloxy-3-methoxy-benzilidene)-succinic acid methanol solvate","","- C35 H34 O9 -","- C35 H34 O9 -","- C70 H68 O18 -","2","1","","Giannellini, Valerio; Bambagiotti-Alberti, Massimo; Bruni, Bruno; Di Vaira, Massimo","Structural and conformational study of two solvates of a fulgenic acid derivative","New Journal of Chemistry","2006","30","4","647","","10.1039/b515266f","","","1.5418","CuKα","","0.0455","0.0369","","","0.0954","0.0991","","","","","","0.958","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7052233","10.929","0.001","11.708","0.001","15.385","0.002","101.68","0.01","106.69","0.01","96.91","0.01","1812.9","0.4","295","2","295","2","","","","","","","","3","P -1","-P 1","2","2,3-bis(4-benzyloxy-3-methoxy-benzilidene)-succinic acid buthanol solvate","2,3-bis(4-benzyloxy-3-methoxy-benzilidene)-succinic acid buthanol solvate","","- C38 H40 O9 -","- C38 H40 O9 -","- C76 H80 O18 -","2","1","","Giannellini, Valerio; Bambagiotti-Alberti, Massimo; Bruni, Bruno; Di Vaira, Massimo","Structural and conformational study of two solvates of a fulgenic acid derivative","New Journal of Chemistry","2006","30","4","647","","10.1039/b515266f","","","1.5418","CuKα","","0.1054","0.0577","","","0.1575","0.1774","","","","","","0.787","","","","has coordinates,has disorder","180076","2020-10-21","18:00:00",""
"7052234","10.54","0.001","11.616","0.001","18.944","0.006","101.42","0.01","104.02","0.01","98.35","0.01","2159.7","0.8","178","2","178","2","","","","","","","","3","P -1","-P 1","2","","","","- C49 H72 O3.5 -","- C49 H33.5 O3.5 -","- C98 H67 O7 -","2","1","","Torsten Müller; Wilhelm Seichter; Edwin Weber","Synthesis, crystalline inclusion and structural study of bulkily stoppered and rigid framework molecular constructions","New Journal of Chemistry","2006","30","5","751","","10.1039/b516244k","","","1.5418","CuKα","","0.1134","0.0993","","0.2778","0.2639","","","","1.205","1.303","1.303","","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7052235","6.401","0.003","9.533","0.003","11.538","0.003","103.85","0.03","92.84","0.03","105.71","0.03","653.1","0.4","133","2","133","2","","","","","","","","2","P -1","-P 1","2","","","","- C36 H38 -","- C36 H38 -","- C36 H38 -","1","0.5","","Torsten Müller; Wilhelm Seichter; Edwin Weber","Synthesis, crystalline inclusion and structural study of bulkily stoppered and rigid framework molecular constructions","New Journal of Chemistry","2006","30","5","751","","10.1039/b516244k","","","1.5418","CuKα","","0.0487","0.0385","","0.1163","0.105","","","","0.994","1.027","1.027","","","","","has coordinates","180076","2020-10-21","18:00:00",""
"7052236","6.662","0.0002","10.16","0.0003","11.1284","0.0003","114.744","0.002","92.734","0.002","101.36","0.002","663.47","0.04","93","2","93","2","","","","","","","","2","P -1","-P 1","2","","","","- C38 H38 -","- C38 H38 -","- C38 H38 -","1","0.5","","Torsten Müller; Wilhelm Seichter; Edwin Weber","Synthesis, crystalline inclusion and structural study of bulkily stoppered and rigid framework molecular constructions","New Journal of Chemistry","2006","30","5","751","","10.1039/b516244k","","","0.71073","MoKα","","0.0698","0.0448","","","0.1158","0.1457","","","","","","0.967","","","","has coordinates","180076","2020-10-21","18:00:00",""
"7052237","6.853","0.003","25.898","0.003","37.211","0.003","90","0.03","95.29","0.03","90","0.03","6576","3","183","2","183","2","","","","","","","","2","C 1 c 1","C -2yc","9","","","","- C42 H48 -","- C42 H48 -","- C336 H384 -","8","2","","Torsten Müller; Wilhelm Seichter; Edwin Weber","Synthesis, crystalline inclusion and structural study of bulkily stoppered and rigid framework molecular constructions","New Journal of Chemistry","2006","30","5","751","","10.1039/b516244k","","","1.5418","CuKα","","0.0955","0.0696","","0.2077","0.1852","","","","1.079","1.089","1.089","","","","","has coordinates","180076","2020-10-21","18:00:00",""
"7052238","21.7567","0.0007","12.5555","0.0004","19.2403","0.0006","90","","109.834","0.002","90","","4944","0.3","93","2","93","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C64 H76 O2 -","- C64 H76 O2 -","- C256 H304 O8 -","4","1","","Torsten Müller; Wilhelm Seichter; Edwin Weber","Synthesis, crystalline inclusion and structural study of bulkily stoppered and rigid framework molecular constructions","New Journal of Chemistry","2006","30","5","751","","10.1039/b516244k","","","0.71073","MoKα","","0.0988","0.0613","","","0.1422","0.1703","","","","","","0.921","","","","has coordinates","180076","2020-10-21","18:00:00",""
"7052239","10.7534","0.0006","11.5581","0.0006","19.0689","0.0011","98.037","0.003","105.183","0.003","99.764","0.003","2211.5","0.2","93","2","93","2","","","","","","","","3","P -1","-P 1","2","","","","- C57 H62.5 N2.5 -","- C57 H62 N2.5 -","- C114 H124 N5 -","2","1","","Torsten Müller; Wilhelm Seichter; Edwin Weber","Synthesis, crystalline inclusion and structural study of bulkily stoppered and rigid framework molecular constructions","New Journal of Chemistry","2006","30","5","751","","10.1039/b516244k","","","0.71073","MoKα","","0.0811","0.047","","","0.0678","0.0705","","","","","","1.035","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7052240","11.987","","36.016","","8.417","","90","","105.49","","90","","3501.83","","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C33 H35 Cl Cu N4 O11 Pd -","- C33 H35 Cl Cu N4 O11 Pd -","- C132 H140 Cl4 Cu4 N16 O44 Pd4 -","4","1","","Madalan, Augustin M.; Avarvari, Narcis; Andruh, Marius","Metal complexes as second-sphere ligands","New Journal of Chemistry","2006","30","4","521","","10.1039/b517989k","","","0.7107","MoKα","","0.1762","0.067","","","0.1201","0.1481","","","","","","1.005","","","","has coordinates","180076","2020-10-21","18:00:00",""
"7052241","12.543","","35.525","","8.437","","90","","105.64","","90","","3620.25","","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C35 H33 Cl Cu N4 O11 Pd -","- C35 H33 Cl Cu N4 O11 Pd -","- C140 H132 Cl4 Cu4 N16 O44 Pd4 -","4","1","","Madalan, Augustin M.; Avarvari, Narcis; Andruh, Marius","Metal complexes as second-sphere ligands","New Journal of Chemistry","2006","30","4","521","","10.1039/b517989k","","","0.7107","MoKα","","0.2402","0.0706","","","0.1094","0.1501","","","","","","0.945","","","","has coordinates","180076","2020-10-21","18:00:00",""
"7052242","12.6386","0.0012","35.11","0.002","8.4367","0.0006","90","","106.723","0.01","90","","3585.4","0.5","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C35 H35 Cl Cu N4 Ni O11 -","- C35 H35 Cl Cu N4 Ni O11 -","- C140 H140 Cl4 Cu4 N16 Ni4 O44 -","4","1","","Madalan, Augustin M.; Avarvari, Narcis; Andruh, Marius","Metal complexes as second-sphere ligands","New Journal of Chemistry","2006","30","4","521","","10.1039/b517989k","","","0.71073","MoKα","","0.136","0.0382","","","0.0545","0.0721","","","","","","0.757","","","","has coordinates","180076","2020-10-21","18:00:00",""
"7052243","11.587","0.002","18.303","0.004","21.919","0.004","90","","90","","90","","4648.5","1.5","200","2","200","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C21 H20 Co Cu N4 O4 S2 -","- C21 H20 Co Cu N4 O4 S2 -","- C168 H160 Co8 Cu8 N32 O32 S16 -","8","1","","Costes, Jean-Pierre; Gheorghe, Ruxandra; Andruh, Marius; Shova, Sergiu; Clemente Juan, Juan-Modesto","An original 1D Cu‒Co heterometallic compound: synthesis, structure and magnetic properties","New Journal of Chemistry","2006","30","4","572","","10.1039/b518029e","","","0.71073","MoKα","","0.1352","0.0555","","","0.0735","0.0937","","","","","","0.993","","","","has coordinates","180076","2020-10-21","18:00:00",""
"7052244","17.771","0.004","24.755","0.003","12.338","0.004","90","","90","","90","","5428","2","293","2","","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C28 H23 Fe2 N O5 W -","- C28 H23 Fe2 N O5 W -","- C224 H184 Fe16 N8 O40 W8 -","8","1","","Konrad Kowalski; Janusz Zakrzewski; Marcin Palusiak; Sławomir Domagała","Aryl (ferrocenyl)-capped ethenylazaferrocenes: synthesis, structure and electrochemistry","New Journal of Chemistry","2006","30","6","901","","10.1039/b600022c","","","0.71073","MoKα","","","0.0671","","","","0.1969","","","","","","0.93","","","","has coordinates","180076","2020-10-21","18:00:00",""
"7052245","8.2271","0.0002","14.3223","0.0003","15.7025","0.0004","76.877","0.004","89.004","0.004","82.816","0.004","1787.66","0.08","173","","173","","","","","","","","","6","P -1","-P 1","2","","","","- C30 H36 Cu2 N4 O12 S2 -","- C30 H36 Cu2 N4 O12 S2 -","- C60 H72 Cu4 N8 O24 S4 -","2","1","","Jérôme Pansanel; Abdelaziz Jouaiti; Sylvie Ferlay; Mir Wais Hosseini; Jean-Marc Planeix; Nathalie Kyritsakas","Molecular tectonics: generation of 1- and 2-D copper coordination networks by positional isomeric tectons based on a phenylenediamine backbone bearing two isonicotinoyl moieties","New Journal of Chemistry","2006","30","5","683","","10.1039/b600193a","","","0.71073","Mo-Kα","","0.124","0.076","","0.192","","0.095","","","2.438","","","1.149","","","","has coordinates","180076","2020-10-21","18:00:00",""
"7052246","33.799","0.001","12.7452","0.0005","8.5671","0.0005","90","","95.297","0.005","90","","3674.7","0.3","173","","173","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H34 Cu2 N4 O12 -","- C27 H25 Cu2 N4 O12 -","- C108 H100 Cu8 N16 O48 -","4","0.5","","Jérôme Pansanel; Abdelaziz Jouaiti; Sylvie Ferlay; Mir Wais Hosseini; Jean-Marc Planeix; Nathalie Kyritsakas","Molecular tectonics: generation of 1- and 2-D copper coordination networks by positional isomeric tectons based on a phenylenediamine backbone bearing two isonicotinoyl moieties","New Journal of Chemistry","2006","30","5","683","","10.1039/b600193a","","","0.71073","Mo-Kα","","0.188","0.105","","0.29","","0.134","","","1.902","","","1.252","","","","has coordinates","180076","2020-10-21","18:00:00",""
"7052247","13.6671","0.0013","11.5908","0.0008","14.1521","0.0016","90","","117.785","0.003","90","","1983.4","0.3","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H20 Cu N4 O6 -","- C22 H20 Cu N4 O6 -","- C88 H80 Cu4 N16 O24 -","4","1","","Jérôme Pansanel; Abdelaziz Jouaiti; Sylvie Ferlay; Mir Wais Hosseini; Jean-Marc Planeix; Nathalie Kyritsakas","Molecular tectonics: generation of 1- and 2-D copper coordination networks by positional isomeric tectons based on a phenylenediamine backbone bearing two isonicotinoyl moieties","New Journal of Chemistry","2006","30","5","683","","10.1039/b600193a","","","0.71073","MoKα","","0.044","0.0349","","","0.0872","0.0911","","","","","","1.025","","","","has coordinates","180076","2020-10-21","18:00:00",""
"7052248","8.761","0.0002","9.762","0.0003","27.257","0.0013","93.675","0.0013","96.278","0.0012","95.237","0.004","2301.03","0.14","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H37 Br N2 O -","- C23 H37 Br N2 O -","- C92 H148 Br4 N8 O4 -","4","2","","Dobbs, William; Douce, Laurent; Allouche, Lionel; Louati, Alain; Malbosc, François; Welter, Richard","New ionic liquid crystals based on imidazolium salts","New Journal of Chemistry","2006","30","4","528","","10.1039/b600279j","","","0.71073","MoKα","","0.0798","0.0438","","","0.0953","0.1147","","","","","","1.073","","","","has coordinates","180076","2020-10-21","18:00:00",""
"7052249","10.272","0.003","9.579","0.002","34.807","0.007","90","","90.868","0.01","90","","3424.5","1.4","300","2","300","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Bis(nitrato-O)bis(triphenylphosphine oxide-O)beryllium(II)","","- C36 H30 Be N2 O8 P2 -","- C36 H30 Be N2 O8 P2 -","- C144 H120 Be4 N8 O32 P8 -","4","1","","Davis, Martin F.; Levason, William; Ratnani, Raju; Reid, Gillian; Webster, Michael","Synthesis, spectroscopic studies and structural systematics of phosphine oxide complexes with Group II metal (beryllium?barium) nitrates","New Journal of Chemistry","2006","30","5","782","","10.1039/b600301j","","","0.71073","MoKα","","0.2107","0.0733","","","0.1146","0.1523","","","","","","1.009","","","","has coordinates","180076","2020-10-21","18:00:00",""
"7052250","15.343","0.003","13.705","0.002","17.202","0.003","90","","96.971","0.004","90","","3590.4","1.1","120","2","120","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Bis(nitrato-O,O')bis(triphenylphosphine oxide-O)magnesium(II)","","- C36 H30 Mg N2 O8 P2 -","- C36 H30 Mg N2 O8 P2 -","- C144 H120 Mg4 N8 O32 P8 -","4","0.5","","Davis, Martin F.; Levason, William; Ratnani, Raju; Reid, Gillian; Webster, Michael","Synthesis, spectroscopic studies and structural systematics of phosphine oxide complexes with Group II metal (beryllium?barium) nitrates","New Journal of Chemistry","2006","30","5","782","","10.1039/b600301j","","","0.71073","MoKα","","0.0842","0.0488","","","0.1176","0.135","","","","","","1","","","","has coordinates","180076","2020-10-21","18:00:00",""
"7052251","21.771","0.004","10.699","0.001","24.074","0.004","90","","104.394","0.005","90","","5431.5","1.4","120","2","120","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","Bis(nitrato-O,O')bis(1,2-bis(diphenylphosphinoyl)benzene)Calcium(II)","","- C60 H48 Ca N2 O10 P4 -","- C60 H48 Ca N2 O10 P4 -","- C240 H192 Ca4 N8 O40 P16 -","4","1","","Davis, Martin F.; Levason, William; Ratnani, Raju; Reid, Gillian; Webster, Michael","Synthesis, spectroscopic studies and structural systematics of phosphine oxide complexes with Group II metal (beryllium?barium) nitrates","New Journal of Chemistry","2006","30","5","782","","10.1039/b600301j","","","0.71073","MoKα","","0.1278","0.055","","","0.1156","0.1401","","","","","","0.966","","","","has coordinates","180076","2020-10-21","18:00:00",""
"7052252","20.4255","0.0016","11.3207","0.001","22.212","0.0015","90","","90","","90","","5136.1","0.7","120","2","120","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","Bis(nitrato-O,O')bis(bis(diphenylphosphinoyl)methane)calcium(II)","","- C50 H44 Ca N2 O10 P4 -","- C50 H44 Ca N2 O10 P4 -","- C200 H176 Ca4 N8 O40 P16 -","4","1","","Davis, Martin F.; Levason, William; Ratnani, Raju; Reid, Gillian; Webster, Michael","Synthesis, spectroscopic studies and structural systematics of phosphine oxide complexes with Group II metal (beryllium?barium) nitrates","New Journal of Chemistry","2006","30","5","782","","10.1039/b600301j","","","0.71073","MoKα","","0.1165","0.0843","","","0.2133","0.2361","","","","","","1.041","","","","has coordinates","180076","2020-10-21","18:00:00",""
"7052253","16.6833","0.0002","16.9265","0.0002","20.0193","0.0002","90","","106.219","0.001","90","","5428.25","0.11","123","2","123","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C60 H48 La2 N18 -","- C60 H48 La2 N18 -","- C240 H192 La8 N72 -","4","1","","Deacon, Glen B.; Forsyth, Craig M.; Junk, Peter C.; Leary, Stuart G.","A rare earth alloy as a synthetic reagent: contrasting homometallic rare earth and heterobimetallic outcomes","New Journal of Chemistry","2006","30","4","592","","10.1039/b600868b","","","0.71073","MoKα","","0.0433","0.0279","","","0.0597","0.0665","","","","","","1.039","","","","has coordinates","180076","2020-10-21","18:00:00",""
"7052254","10.5878","0.0001","15.3676","0.0002","16.5439","0.0002","90","","101.688","0.001","90","","2636.03","0.05","123","2","123","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","ladpyabs","tetrakis(2,2'-dipyridylamido)bis(mu-2,2'dipyridylamido)dilanthanum(III)","","- C30 H24 La N9 -","- C30 H24 La N9 -","- C120 H96 La4 N36 -","4","1","","Deacon, Glen B.; Forsyth, Craig M.; Junk, Peter C.; Leary, Stuart G.","A rare earth alloy as a synthetic reagent: contrasting homometallic rare earth and heterobimetallic outcomes","New Journal of Chemistry","2006","30","4","592","","10.1039/b600868b","","","0.71073","MoKα","","0.042","0.0327","","","0.0851","0.0896","","","","","","1.051","","","","has coordinates","180076","2020-10-21","18:00:00",""
"7052255","15.499","0.003","19.15","0.004","17.485","0.004","90","","90.67","0.03","90","","5189.3","1.9","123","2","123","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","Ni2La(8OQ)7","hexakis(mu-(O)-8-quinolinolato)(8-quinolinolato-kappa:N,O(La) dinickel(II)lanthanum(III) (NiLaNi)","","- C63 H36 La N7 Ni2 O7 -","- C63 H36 La N7 Ni2 O7 -","- C252 H144 La4 N28 Ni8 O28 -","4","0.5","","Deacon, Glen B.; Forsyth, Craig M.; Junk, Peter C.; Leary, Stuart G.","A rare earth alloy as a synthetic reagent: contrasting homometallic rare earth and heterobimetallic outcomes","New Journal of Chemistry","2006","30","4","592","","10.1039/b600868b","","","0.71073","MoKα","","0.1692","0.0595","","","0.0949","0.1279","","","","","","1.02","","","","has coordinates","180076","2020-10-21","18:00:00",""
"7052256","14.368","0.009","6.132","0.004","3.778","0.002","87.46","0.05","100.5","0.04","92.94","0.04","326.6","0.3","298","1","298","1","","","","","","","","4","P -1","-P 1","2","4-Chlorobenzoic acid","4-Chlorobenzoic acid","","- C7 H5 Cl O2 -","- C7 H5 Cl O2 -","- C14 H10 Cl2 O4 -","2","1","","Wilson, Chick C.; Xu, Xuelian; Florence, Alastair J.; Shankland, Norman","Temperature dependence of proton transfer in 4-chlorobenzoic acid","New Journal of Chemistry","2006","30","7","979","","10.1039/b601123c","","neutron","","neutron","","0.088","","","0.063","","","","","","","","3.92","","","","has coordinates","180076","2020-10-21","18:00:00",""
"7052257","14.21","0.006","6.072","0.002","3.747","0.001","87.68","0.03","100.32","0.03","93","0.03","317.48","0.19","100","1","100","1","","","","","","","","4","P -1","-P 1","2","4-Chlorobenzoic acid","4-Chlorobenzoic acid","","- C7 H5 Cl O2 -","- C7 H5 Cl O2 -","- C14 H10 Cl2 O4 -","2","1","","Wilson, Chick C.; Xu, Xuelian; Florence, Alastair J.; Shankland, Norman","Temperature dependence of proton transfer in 4-chlorobenzoic acid","New Journal of Chemistry","2006","30","7","979","","10.1039/b601123c","","neutron","","neutron","","0.083","","","0.064","","","","","","","","3.12","","","","has coordinates","180076","2020-10-21","18:00:00",""
"7052258","14.22","0.006","6.087","0.002","3.766","0.001","87.91","0.04","100.22","0.03","92.97","0.03","320.25","0.19","133","1","133","1","","","","","","","","4","P -1","-P 1","2","4-Chlorobenzoic acid","4-Chlorobenzoic acid","","- C7 H5 Cl O2 -","- C7 H5 Cl O2 -","- C14 H10 Cl2 O4 -","2","1","","Wilson, Chick C.; Xu, Xuelian; Florence, Alastair J.; Shankland, Norman","Temperature dependence of proton transfer in 4-chlorobenzoic acid","New Journal of Chemistry","2006","30","7","979","","10.1039/b601123c","","neutron","","neutron","","0.078","","","0.06","","","","","","","","2.58","","","","has coordinates","180076","2020-10-21","18:00:00",""
"7052259","14.209","0.007","6.12","0.002","3.794","0.001","88.31","0.04","100.19","0.04","93.03","0.03","324.2","0.2","200","1","200","1","","","","","","","","4","P -1","-P 1","2","4-Chlorobenzoic acid","4-Chlorobenzoic acid","","- C7 H5 Cl O2 -","- C7 H5 Cl O2 -","- C14 H10 Cl2 O4 -","2","1","","Wilson, Chick C.; Xu, Xuelian; Florence, Alastair J.; Shankland, Norman","Temperature dependence of proton transfer in 4-chlorobenzoic acid","New Journal of Chemistry","2006","30","7","979","","10.1039/b601123c","","neutron","","neutron","","0.077","","","0.054","","","","","","","","2.42","","","","has coordinates","180076","2020-10-21","18:00:00",""
"7052260","14.272","0.008","6.141","0.003","3.813","0.002","88.53","0.04","100.11","0.04","93.18","0.03","328.4","0.3","250","1","250","1","","","","","","","","4","P -1","-P 1","2","4-Chlorobenzoic acid","4-Chlorobenzoic acid","","- C7 H5 Cl O2 -","- C7 H5 Cl O2 -","- C14 H10 Cl2 O4 -","2","1","","Wilson, Chick C.; Xu, Xuelian; Florence, Alastair J.; Shankland, Norman","Temperature dependence of proton transfer in 4-chlorobenzoic acid","New Journal of Chemistry","2006","30","7","979","","10.1039/b601123c","","neutron","","neutron","","0.086","","","0.061","","","","","","","","2.84","","","","has coordinates","180076","2020-10-21","18:00:00",""
"7052261","11.1301","0.0014","19.875","0.002","16.4137","0.0016","90","","109.858","0.01","90","","3415","0.7","180","","180","","","","","","","","synthesis as described","6","P 1 21/n 1","-P 2yn","14","","","","- C33 H30 B Cl2 N6 Nb -","- C33 H30 B Cl2 N6 Nb -","- C132 H120 B4 Cl8 N24 Nb4 -","4","1","","Pascal Oulié; Johannes Teichert; Laure Vendier; Céline Dablemont; Michel Etienne","Aromatic interactions in hydrotris(3-methylindazolyl)borate organoniobium complexes: control of an alkyne ligand orientation in the crystal","New Journal of Chemistry","2006","30","5","679","","10.1039/b601652a","","","0.71073","MoKα","","0.0894","0.0475","","","0.0983","0.1105","","","","","","0.877","","","","has coordinates","180076","2020-10-21","18:00:00",""
"7052262","14.075","0.0013","8.841","0.0008","14.3377","0.0013","90","","119.052","0.001","90","","1559.7","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H44 Cl2 N4 Pd -","- C30 H44 Cl2 N4 Pd -","- C60 H88 Cl4 N8 Pd2 -","2","0.5","","Zou, Gang; Huang, Wen; Xiao, Yuanjing; Tang, Jie","Heck reaction catalysed by palladium supported with an electron-rich benzimidazolylidene generated in situ: remarkable ligand electronic effects and controllable mono- and di-arylation","New Journal of Chemistry","2006","30","5","803","","10.1039/b601833e","","","0.71073","MoKα","","0.0886","0.0719","","","0.2101","0.2252","","","","","","0.974","","","","has coordinates","180076","2020-10-21","18:00:00",""
"7052263","8.6005","0.0014","13.217","0.002","18.918","0.003","90","","91.575","0.004","90","","2149.6","0.6","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H23 F6 N2 P Pd -","- C22 H23 F6 N2 P Pd -","- C88 H92 F24 N8 P4 Pd4 -","4","1","","Ragaini, Fabio; Gasperini, Michela; Parma, Paolo; Gallo, Emma; Casati, Nicola; Macchi, Piero","Stability-inducing strain: application to the synthesis of alkyl-BIAN ligands (alkyl-BIAN = bis(alkyl)acenaphthenequinonediimine)","New Journal of Chemistry","2006","30","7","1046","","10.1039/b602257j","","","0.71073","MoKα","","0.0695","0.0467","","","0.1179","0.1347","","","","","","1.09","","","","has coordinates,has disorder","180076","2020-10-21","18:00:00",""
"7052264","7.2312","0.0008","16.2043","0.0018","15.9806","0.0018","90","","91.2048","0.0019","90","","1872.1","0.4","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H20 Cl2 N2 Zn -","- C20 H20 Cl2 N2 Zn -","- C80 H80 Cl8 N8 Zn4 -","4","1","","Ragaini, Fabio; Gasperini, Michela; Parma, Paolo; Gallo, Emma; Casati, Nicola; Macchi, Piero","Stability-inducing strain: application to the synthesis of alkyl-BIAN ligands (alkyl-BIAN = bis(alkyl)acenaphthenequinonediimine)","New Journal of Chemistry","2006","30","7","1046","","10.1039/b602257j","","x-ray","0.71069","MoKα","","0.0816","0.0377","","","0.076","0.0889","","","","","","1.002","","","","has coordinates","180076","2020-10-21","18:00:00",""
"7052265","9.3088","0.0006","15.438","0.0009","15.9947","0.0009","90","","99.803","0.002","90","","2265","0.2","298","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H28 Cl2 N2 Zn -","- C26 H28 Cl2 N2 Zn -","- C104 H112 Cl8 N8 Zn4 -","4","1","","Ragaini, Fabio; Gasperini, Michela; Parma, Paolo; Gallo, Emma; Casati, Nicola; Macchi, Piero","Stability-inducing strain: application to the synthesis of alkyl-BIAN ligands (alkyl-BIAN = bis(alkyl)acenaphthenequinonediimine)","New Journal of Chemistry","2006","30","7","1046","","10.1039/b602257j","","","0.71069","MoKα","","0.1076","0.0486","","","0.11","0.145","","","","","","1.06","","","","has coordinates,has disorder","180076","2020-10-21","18:00:00",""
"7052266","11.3215","0.001","11.7432","0.0011","13.7576","0.0012","103.925","0.002","108.377","0.002","108.885","0.002","1518","0.2","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C33 H38 Br2 Cl2 N2 Ni -","- C33 H38 Br2 Cl2 N2 Ni -","- C66 H76 Br4 Cl4 N4 Ni2 -","2","1","","Ragaini, Fabio; Gasperini, Michela; Parma, Paolo; Gallo, Emma; Casati, Nicola; Macchi, Piero","Stability-inducing strain: application to the synthesis of alkyl-BIAN ligands (alkyl-BIAN = bis(alkyl)acenaphthenequinonediimine)","New Journal of Chemistry","2006","30","7","1046","","10.1039/b602257j","","","0.71069","MoKα","","0.0855","0.0469","","","0.108","0.1243","","","","","","1.022","","","","has coordinates","180076","2020-10-21","18:00:00",""
"7052267","16.64","0.001","13.269","0.001","18.77","0.001","90","","90","","90","","4144.3","0.5","200","","","","","","","","","","","5","C m c a","-C 2ac 2","64","","","","- C18 H20 Cl4 Mn N4 -","- C18 H20 Cl4 Mn N4 -","- C144 H160 Cl32 Mn8 N32 -","8","","","Anita Kübel-Pollak; Craig J. Matthews; Simon Verdan; Bernard Bocquet; Xavier Melich; Alan F. Williams; Francine Lavergnat; Pierre-Yves Morgantini; Gérald Bernardinelli","Conformational effects in molecular tectons containing protonated benzimidazole cations","New Journal of Chemistry","2006","30","6","851","","10.1039/b602468h","","","1.5418","CuKα","","","0.046","","","","0.044","","","","","","1.58","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7052268","15.483","0.003","12.705","0.001","23.177","0.002","90","","90.971","0.008","90","","4558.5","1","200","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C46 H55 Cl4 N9 -","- C46 H55 Cl4 N9 -","- C184 H220 Cl16 N36 -","4","1","","Anita Kübel-Pollak; Craig J. Matthews; Simon Verdan; Bernard Bocquet; Xavier Melich; Alan F. Williams; Francine Lavergnat; Pierre-Yves Morgantini; Gérald Bernardinelli","Conformational effects in molecular tectons containing protonated benzimidazole cations","New Journal of Chemistry","2006","30","6","851","","10.1039/b602468h","","","1.54183","CuKα","","","0.066","","","","0.062","","","","","","1.25","","","","has coordinates","180076","2020-10-21","18:00:00",""
"7052269","9.5492","0.0008","9.8088","0.0009","14.7179","0.0013","84.185","0.01","86.801","0.01","65.969","0.009","1252.4","0.2","200","","","","","","","","","","","6","P -1","-P 1","2","","","","- C22 H28 Cl4 Mn N4 O -","- C22 H28 Cl4 Mn N4 O -","- C44 H56 Cl8 Mn2 N8 O2 -","2","1","","Anita Kübel-Pollak; Craig J. Matthews; Simon Verdan; Bernard Bocquet; Xavier Melich; Alan F. Williams; Francine Lavergnat; Pierre-Yves Morgantini; Gérald Bernardinelli","Conformational effects in molecular tectons containing protonated benzimidazole cations","New Journal of Chemistry","2006","30","6","851","","10.1039/b602468h","","","0.71073","MoKα","","","0.029","","","","0.03","","","","","","1.17","","","","has coordinates","180076","2020-10-21","18:00:00",""
"7052270","8.5221","0.0007","11.804","0.001","14.884","0.001","90","","95.929","0.007","90","","1489.2","0.2","200","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C29 H35 Cl3 N6 O2 -","- C29 H35 Cl3 N6 O2 -","- C58 H70 Cl6 N12 O4 -","2","1","","Anita Kübel-Pollak; Craig J. Matthews; Simon Verdan; Bernard Bocquet; Xavier Melich; Alan F. Williams; Francine Lavergnat; Pierre-Yves Morgantini; Gérald Bernardinelli","Conformational effects in molecular tectons containing protonated benzimidazole cations","New Journal of Chemistry","2006","30","6","851","","10.1039/b602468h","","","1.54183","CuKα","","","0.051","","","","0.049","","","","","","2.47","","","","has coordinates","180076","2020-10-21","18:00:00",""
"7052271","16.6939","0.0009","16.6939","0.0009","20.5208","0.0011","90","","90","","120","","4952.7","0.5","200","","","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C30 H41 Br3 N6 O4 -","- C30 H41 Br3 N6 O3.99999 -","- C180 H246 Br18 N36 O23.9999 -","6","0.333333","","Anita Kübel-Pollak; Craig J. Matthews; Simon Verdan; Bernard Bocquet; Xavier Melich; Alan F. Williams; Francine Lavergnat; Pierre-Yves Morgantini; Gérald Bernardinelli","Conformational effects in molecular tectons containing protonated benzimidazole cations","New Journal of Chemistry","2006","30","6","851","","10.1039/b602468h","","","0.71073","MoKα","","","0.028","","","","0.028","","","","","","1.12","","","","has coordinates","180076","2020-10-21","18:00:00",""
"7052272","11.4172","0.0013","11.5432","0.0013","16.4193","0.0018","107.72","0.002","90.261","0.002","107.884","0.002","1950.1","0.4","136","2","136","2","","","","","","","","4","P -1","-P 1","2","","","","- C93 H88 Ce2 N16 -","- C93 H88 Ce2 N16 -","- C93 H88 Ce2 N16 -","1","0.5","","Walter, Marc D.; Fandos, Rosa; Andersen, Richard A.","Synthesis and magnetic properties of cerium macrocyclic complexes with tetramethyldibenzotetraaza[14]annulene, tmtaaH2","New Journal of Chemistry","2006","30","7","1065","","10.1039/b602644c","","","0.71073","MoKα","","0.0524","0.0468","","","0.1238","0.1288","","","","","","1.046","","","","has coordinates","180076","2020-10-21","18:00:00",""
"7052273","9.227","0.004","10.155","0.004","10.156","0.004","90","","106.496","0.007","90","","912.5","0.6","296","2","296","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C14 H17 N4 O6 Re -","- C14 H17 N4 O6 Re -","- C28 H34 N8 O12 Re2 -","2","0.5","","Sonia Nieto; Julio Pérez; Lucía Riera; Víctor Riera; Daniel Miguel","Non-covalent interactions between anions and a cationic rhenium diamine complex: structural characterization of the supramolecular adducts","New Journal of Chemistry","2006","30","6","838","","10.1039/b602907h","","","0.71073","MoKα","","0.0457","0.0412","","","0.1078","0.1102","","","","","","1.057","","","","has coordinates","180076","2020-10-21","18:00:00",""
"7052274","10.16","0.007","12.354","0.009","15.993","0.012","90","","90","","90","","2007","3","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C14 H17 Cl N3 O7 Re -","- C14 H17 Cl N3 O7 Re -","- C56 H68 Cl4 N12 O28 Re4 -","4","1","","Sonia Nieto; Julio Pérez; Lucía Riera; Víctor Riera; Daniel Miguel","Non-covalent interactions between anions and a cationic rhenium diamine complex: structural characterization of the supramolecular adducts","New Journal of Chemistry","2006","30","6","838","","10.1039/b602907h","","","0.71073","MoKα","","0.0499","0.0452","","","0.1085","0.1131","","","","","","1.053","","","","has coordinates","180076","2020-10-21","18:00:00",""
"7052275","14.243","0.005","17.34","0.005","10.36","0.005","90.99","0.005","102.51","0.005","98.44","0.005","2467.7","1.6","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","","","- C53 H62 O7 W -","- C53 H62 O7 W -","- C106 H124 O14 W2 -","2","1","","Arduini, Arturo; Massera, Chiara; Pochini, Andrea; Secchi, Andrea; Ugozzoli, Franco","Organic guests inclusion by tungsten-calix[4]arene hosts","New Journal of Chemistry","2006","30","6","952","","10.1039/b603006h","","","0.71069","MoKα","","0.125","0.0825","","","0.2014","0.2154","","","","","","0.913","","","","has coordinates,has disorder","180076","2020-10-21","18:00:00",""
"7052276","8.789","0.005","17.6","0.005","16.397","0.005","90","","94.94","0.005","90","","2527","1.8","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C31 H27 N O6 W -","- C31 H27 N O6 W -","- C124 H108 N4 O24 W4 -","4","1","","Arduini, Arturo; Massera, Chiara; Pochini, Andrea; Secchi, Andrea; Ugozzoli, Franco","Organic guests inclusion by tungsten-calix[4]arene hosts","New Journal of Chemistry","2006","30","6","952","","10.1039/b603006h","","","0.71069","MoKα","","0.1169","0.067","","","0.1629","0.1801","","","","","","0.857","","","","has coordinates","180076","2020-10-21","18:00:00",""
"7052277","13.292","0.005","13.292","0.005","13.743","0.005","90","","90","","90","","2428.1","1.6","295","2","293","2","","","","","","","","5","P 4/n :2","-P 4a","85","","","","- C13.5 H14 N0.25 O1.25 W0.25 -","- C13.5 H14.75 N0.25 O1.25 W0.25 -","- C108 H118 N2 O10 W2 -","8","1","","Arduini, Arturo; Massera, Chiara; Pochini, Andrea; Secchi, Andrea; Ugozzoli, Franco","Organic guests inclusion by tungsten-calix[4]arene hosts","New Journal of Chemistry","2006","30","6","952","","10.1039/b603006h","","","0.71069","MoKα","","0.0668","0.0402","","","0.0908","0.0995","","","","","","0.78","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7052278","11.302","0.005","14.802","0.005","17.226","0.005","90","","91.05","0.005","90","","2881.3","1.8","295","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C32 H30 O8 W -","- C32 H30 O8 W -","- C128 H120 O32 W4 -","4","1","","Arduini, Arturo; Massera, Chiara; Pochini, Andrea; Secchi, Andrea; Ugozzoli, Franco","Organic guests inclusion by tungsten-calix[4]arene hosts","New Journal of Chemistry","2006","30","6","952","","10.1039/b603006h","","","0.71069","MoKα","","0.0664","0.0303","","","0.0643","0.0689","","","","","","0.843","","","","has coordinates","180076","2020-10-21","18:00:00",""
"7052279","31.1616","0.0011","10.9342","0.0004","8.3276","0.0003","90","","104.131","0.002","90","","2751.58","0.17","120","2","120","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C32 H27 N7 O4 -","- C32 H27 N7 O4 -","- C128 H108 N28 O16 -","4","0.5","","Evans, Louise S.; Gale, Philip A.; Light, Mark E.; Quesada, Roberto","Pyrrolylamidourea based anion receptors","New Journal of Chemistry","2006","30","7","1019","","10.1039/b603223k","","","0.71073","MoKα","","0.0695","0.0481","","","0.1073","0.1168","","","","","","1.046","","","","has coordinates","180076","2020-10-21","18:00:00",""
"7052280","16.0263","0.0005","22.3943","0.0007","19.782","0.0008","90","","112.759","0.001","90","","6546.9","0.4","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C138 H176 Cu8 N4 O6 S12 -","- C138 H160 Cu8 N4 O6 S12 -","- C276 H320 Cu16 N8 O12 S24 -","2","0.5","","Stéphane A. Baudron; Mir Wais Hosseini; Nathalie Kyritsakas","Octanuclear Cu(<small>I</small>) cubic complex decorated with six peripheral chelates","New Journal of Chemistry","2006","30","7","1083","","10.1039/b603733j","","","0.71073","MoKα","","0.137","0.0674","","","0.1757","0.2115","","","","","","1.039","","","","has coordinates","180076","2020-10-21","18:00:00",""
"7052281","39.0401","0.0013","17.3267","0.0006","24.2754","0.0008","90","","124.138","0.002","90","","13591.3","0.9","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C116 H152 Cu8 N16 O6 S18 -","- C116 H128 Cu8 N16 O6 S18 -","- C464 H512 Cu32 N64 O24 S72 -","4","0.5","","Stéphane A. Baudron; Mir Wais Hosseini; Nathalie Kyritsakas","Octanuclear Cu(<small>I</small>) cubic complex decorated with six peripheral chelates","New Journal of Chemistry","2006","30","7","1083","","10.1039/b603733j","","","0.71073","MoKα","","0.1233","0.0666","","","0.2064","0.2466","","","","","","1.068","","","","has coordinates,has disorder","180076","2020-10-21","18:00:00",""
"7052282","18.6672","0.0007","8.7381","0.0003","18.9133","0.0007","90","","101.396","0.002","90","","3024.24","0.19","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C60 H90 Cu N8 S4 -","- C60 H90 Cu N8 S4 -","- C120 H180 Cu2 N16 S8 -","2","0.5","","Stéphane A. Baudron; Mir Wais Hosseini; Nathalie Kyritsakas","Octanuclear Cu(<small>I</small>) cubic complex decorated with six peripheral chelates","New Journal of Chemistry","2006","30","7","1083","","10.1039/b603733j","","","0.71073","MoKα","","0.104","0.0584","","","0.15","0.1727","","","","","","1.044","","","","has coordinates","180076","2020-10-21","18:00:00",""
"7052283","17.805","0.004","21.759","0.004","36.438","0.007","90","","96.34","0.03","90","","14030","5","193","2","193","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C128 H184 Ag8 N16 O8 S8 -","- C128 H40 Ag8 N16 O8 S8 -","- C512 H160 Ag32 N64 O32 S32 -","4","1","","Habtu, Michael M.; Bourne, Susan A.; Koch, Klaus R.; Luckay, Robert C.","Competitive bulk liquid membrane transport and solvent extraction of some transition and post-transition metal ions using acylthiourea ligands as ionophores","New Journal of Chemistry","2006","30","8","1155","","10.1039/b603802f","","","0.71073","MoKα","","0.0918","0.0537","","","0.1438","0.1689","","","","","","1.03","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7052284","10.3953","0.0019","6.5823","0.0012","43.283","0.008","90","","93.228","0.005","90","","2956.9","0.9","193","2","193","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H20 N6 Na2 O6 S6 -","- C22 H20 N6 Na2 O6 S6 -","- C88 H80 N24 Na8 O24 S24 -","4","1","","Zhu, Qin-Yu; Lin, Hai-Hong; Dai, Jie; Bian, Guo-Qing; Zhang, Yong; Lu, Wen","A supramolecular system of tetrathiafulvalene, assembled by hydrogen bonding, ionic coordination bonding and topological cooperation","New Journal of Chemistry","2006","30","8","1140","","10.1039/b604258a","","","0.71073","MoKα","","0.0531","0.0451","","","0.0891","0.0921","","","","","","1.182","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7052285","32.197","0.005","32.197","0.005","71.112","0.014","90","","90","","120","","63842","19","153","2","153","2","","","","","","","","8","R -3 c :H","-R 3 2""c","167","","","","- C92 H90 Co N6 Na O45 S8 Yb0.33 -","- C92 H56 Co N6 Na O44.94 S8 Yb0.333333 -","- C1656 H1008 Co18 N108 Na18 O808.92 S144 Yb6 -","18","0.5","","Smith, Christopher B.; Barbour, Leonard J.; Makha, Mohamed; Raston, Colin L.; Sobolev, Alexandre N.","Unlocking the elusive binding cavity in p-sulfonatocalix[8]arene","New Journal of Chemistry","2006","30","7","991","","10.1039/b604513h","","","0.71073","MoKα","","0.3762","0.1801","","","0.4213","0.5215","","","","","","1.178","","","","has coordinates,has disorder","180076","2020-10-21","18:00:00",""
"7052286","18.026","0.006","29.133","0.005","30.927","0.008","63.44","0.02","78.13","0.03","72.37","0.03","13798","7","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C252 H108 Cu9 F108 N18 O36 -","- C252 H108 Cu9 F108 N18 O36 -","- C504 H216 Cu18 F216 N36 O72 -","2","1","","Silke Winter; Edwin Weber; Lars Eriksson; Ingeborg Csöregh","New coordination polymer networks based on copper(<small>II</small>) hexafluoroacetylacetonate and pyridine containing building blocks: synthesis and structural study","New Journal of Chemistry","2006","30","12","1808","","10.1039/b604591j","","","0.71073","MoKα","","0.23","0.0722","","","0.16","0.2214","","","","","","0.842","","","","has coordinates","180076","2020-10-21","18:00:00",""
"7052287","7.2518","0.0008","7.4685","0.0009","20.571","0.002","94.368","0.002","94.193","0.002","92.638","0.002","1106.4","0.2","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C14 H18 B2 N2 Ni O10 S4 -","- C14 H18 B2 N2 Ni O10 S4 -","- C28 H36 B4 N4 Ni2 O20 S8 -","2","1","","Kara, Hulya; Adams, Christopher J.; Orpen, A. Guy; Podesta, Thomas J.","Pyridinium boronic acid salts in crystal synthesis","New Journal of Chemistry","2006","30","10","1461","","10.1039/b604729g","","","0.71073","MoKα","","0.0357","0.0266","","","0.0702","0.0747","","","","","","1.041","","","","has coordinates","180076","2020-10-21","18:00:00",""
"7052288","7.482","0.0015","7.4948","0.0015","20.573","0.004","94.45","0.03","95.44","0.03","92.08","0.03","1143.9","0.4","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C14 H18 B2 N2 O10 Pd S4 -","- C14 H18 B2 N2 O10 Pd S4 -","- C28 H36 B4 N4 O20 Pd2 S8 -","2","1","","Kara, Hulya; Adams, Christopher J.; Orpen, A. Guy; Podesta, Thomas J.","Pyridinium boronic acid salts in crystal synthesis","New Journal of Chemistry","2006","30","10","1461","","10.1039/b604729g","","","0.71073","MoKα","","0.0538","0.0413","","","0.0885","0.0986","","","","","","1.002","","","","has coordinates","180076","2020-10-21","18:00:00",""
"7052289","7.4202","0.0008","7.4598","0.0008","20.396","0.002","94.419","0.002","96.48","0.002","92.585","0.002","1116.8","0.2","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C14 H18 B2 N2 O10 Pt S4 -","- C14 H18 B2 N2 O10 Pt S4 -","- C28 H36 B4 N4 O20 Pt2 S8 -","2","1","","Kara, Hulya; Adams, Christopher J.; Orpen, A. Guy; Podesta, Thomas J.","Pyridinium boronic acid salts in crystal synthesis","New Journal of Chemistry","2006","30","10","1461","","10.1039/b604729g","","","0.71073","MoKα","","0.0507","0.0363","","","0.0793","0.0853","","","","","","1.035","","","","has coordinates","180076","2020-10-21","18:00:00",""
"7052290","3.6754","0.0006","10.5135","0.0017","12.215","0.002","102.091","0.002","96.403","0.003","98.557","0.002","451.4","0.13","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H14 B2 N2 O12 Pt -","- C14 H14 B2 N2 O12 Pt -","- C14 H14 B2 N2 O12 Pt -","1","0.5","","Kara, Hulya; Adams, Christopher J.; Orpen, A. Guy; Podesta, Thomas J.","Pyridinium boronic acid salts in crystal synthesis","New Journal of Chemistry","2006","30","10","1461","","10.1039/b604729g","","","0.71073","MoKα","","0.0218","0.0218","","","0.0467","0.0468","","","","","","1.043","","","","has coordinates","180076","2020-10-21","18:00:00",""
"7052291","3.8956","0.0008","10.119","0.002","13.447","0.003","100.74","0.03","94.97","0.03","97.65","0.03","512.8","0.2","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C14 H14 B2 Cu N2 O8 S4 -","- C14 H14 B2 Cu N2 O8 S4 -","- C14 H14 B2 Cu N2 O8 S4 -","1","0.5","","Kara, Hulya; Adams, Christopher J.; Orpen, A. Guy; Podesta, Thomas J.","Pyridinium boronic acid salts in crystal synthesis","New Journal of Chemistry","2006","30","10","1461","","10.1039/b604729g","","","0.71073","MoKα","","0.1017","0.059","","","0.1328","0.1662","","","","","","0.966","","","","has coordinates","180076","2020-10-21","18:00:00",""
"7052292","3.905","0.0008","10.22","0.002","13.302","0.003","101.79","0.03","95.13","0.03","98.09","0.03","510.7","0.2","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C14 H14 B2 N2 Ni O8 S4 -","- C14 H14 B2 N2 Ni O8 S4 -","- C14 H14 B2 N2 Ni O8 S4 -","1","0.5","","Kara, Hulya; Adams, Christopher J.; Orpen, A. Guy; Podesta, Thomas J.","Pyridinium boronic acid salts in crystal synthesis","New Journal of Chemistry","2006","30","10","1461","","10.1039/b604729g","","","0.71073","MoKα","","0.0416","0.0328","","","0.078","0.1013","","","","","","1.051","","","","has coordinates","180076","2020-10-21","18:00:00",""
"7052293","3.9415","0.0008","10.164","0.002","13.431","0.003","100.46","0.03","94.77","0.03","98.41","0.03","520.1","0.2","273","2","273","2","","","","","","","","7","P -1","-P 1","2","","","","- C14 H14 B2 N2 O8 Pd S4 -","- C14 H14 B2 N2 O8 Pd S4 -","- C14 H14 B2 N2 O8 Pd S4 -","1","0.5","","Kara, Hulya; Adams, Christopher J.; Orpen, A. Guy; Podesta, Thomas J.","Pyridinium boronic acid salts in crystal synthesis","New Journal of Chemistry","2006","30","10","1461","","10.1039/b604729g","","","0.71073","MoKα","","0.0333","0.0278","","","0.0699","0.092","","","","","","1.148","","","","has coordinates","180076","2020-10-21","18:00:00",""
"7052294","3.659","0.0007","10.172","0.002","12.576","0.003","103.24","0.03","96.89","0.03","98.1","0.03","445.42","0.18","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H14 B2 N2 O12 Pt -","- C14 H14 B2 N2 O12 Pt -","- C14 H14 B2 N2 O12 Pt -","1","0.5","","Kara, Hulya; Adams, Christopher J.; Orpen, A. Guy; Podesta, Thomas J.","Pyridinium boronic acid salts in crystal synthesis","New Journal of Chemistry","2006","30","10","1461","","10.1039/b604729g","","","0.71073","MoKα","","0.0151","0.0151","","","0.0375","0.0375","","","","","","1.083","","","","has coordinates","180076","2020-10-21","18:00:00",""
"7052295","5.4044","0.0006","10.4485","0.0011","17.4481","0.0019","90","","91.73","0.009","90","","984.81","0.19","170","2","170","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H8 Fe N10 O4 -","- C16 H8 Fe N10 O4 -","- C32 H16 Fe2 N20 O8 -","2","0.5","","Emeric Lefebvre; Françoise Conan; Nathalie Cosquer; Jean-Michel Kerbaol; Mathieu Marchivie; Jean Sala-Pala; Marek M. Kubicki; Estelle Vigier; Carlos J. Gomez Garcia","Syntheses, structural characterisation and magnetic properties of Fe(<small>II</small>) and Mn(<small>II</small>) compounds with the pentacyanopropenido ligand; structural characterisation of a substituted pyrazolo[1,5-<i>a</i>]pyrimidine","New Journal of Chemistry","2006","30","8","1197","","10.1039/b605030a","","","0.71073","MoKα","","0.0492","0.0363","","","0.0941","0.099","","","","","","1.052","","","","has coordinates","180076","2020-10-21","18:00:00",""
"7052296","5.4059","0.0002","10.5483","0.0003","17.5513","0.0007","90","","91.522","0.002","90","","1000.48","0.06","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H8 Mn N10 O4 -","- C16 H8 Mn N10 O4 -","- C32 H16 Mn2 N20 O8 -","2","0.5","","Emeric Lefebvre; Françoise Conan; Nathalie Cosquer; Jean-Michel Kerbaol; Mathieu Marchivie; Jean Sala-Pala; Marek M. Kubicki; Estelle Vigier; Carlos J. Gomez Garcia","Syntheses, structural characterisation and magnetic properties of Fe(<small>II</small>) and Mn(<small>II</small>) compounds with the pentacyanopropenido ligand; structural characterisation of a substituted pyrazolo[1,5-<i>a</i>]pyrimidine","New Journal of Chemistry","2006","30","8","1197","","10.1039/b605030a","","","0.71073","MoKα","","0.0643","0.0392","","","0.0842","0.0959","","","","","","1.034","","","","has coordinates","180076","2020-10-21","18:00:00",""
"7052297","11.14","0.003","11.497","0.003","16.854","0.004","90","0.018","90","0.019","90","0.019","2158.6","1","170","2","170","2","","","","","","","synthesis as described","5","P b c a","-P 2ac 2ab","61","","","","- C17.5 H0 Fe N10 O0.5 -","- C17.5 Fe N10 O0.5 -","- C70 Fe4 N40 O2 -","4","0.5","","Emeric Lefebvre; Françoise Conan; Nathalie Cosquer; Jean-Michel Kerbaol; Mathieu Marchivie; Jean Sala-Pala; Marek M. Kubicki; Estelle Vigier; Carlos J. Gomez Garcia","Syntheses, structural characterisation and magnetic properties of Fe(<small>II</small>) and Mn(<small>II</small>) compounds with the pentacyanopropenido ligand; structural characterisation of a substituted pyrazolo[1,5-<i>a</i>]pyrimidine","New Journal of Chemistry","2006","30","8","1197","","10.1039/b605030a","","x-ray","0.71073","MoKα","","0.147","0.1222","","","0.2384","0.2524","","","","","","1.362","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7052298","8.8515","0.0019","6.5515","0.0018","19.107","0.005","90","","96.48","0.02","90","","1100.9","0.5","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C10 H2 N8 -","- C10 H2 N8 -","- C40 H8 N32 -","4","1","","Emeric Lefebvre; Françoise Conan; Nathalie Cosquer; Jean-Michel Kerbaol; Mathieu Marchivie; Jean Sala-Pala; Marek M. Kubicki; Estelle Vigier; Carlos J. Gomez Garcia","Syntheses, structural characterisation and magnetic properties of Fe(<small>II</small>) and Mn(<small>II</small>) compounds with the pentacyanopropenido ligand; structural characterisation of a substituted pyrazolo[1,5-<i>a</i>]pyrimidine","New Journal of Chemistry","2006","30","8","1197","","10.1039/b605030a","","","0.71073","MoKα","","0.0677","0.0492","","","0.1122","0.1229","","","","","","1.066","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7052299","6.3523","0.0013","13.906","0.003","16.582","0.003","90","","90","","90","","1464.8","0.5","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H8 N8 O -","- C13 H8 N8 O -","- C52 H32 N32 O4 -","4","1","","Emeric Lefebvre; Françoise Conan; Nathalie Cosquer; Jean-Michel Kerbaol; Mathieu Marchivie; Jean Sala-Pala; Marek M. Kubicki; Estelle Vigier; Carlos J. Gomez Garcia","Syntheses, structural characterisation and magnetic properties of Fe(<small>II</small>) and Mn(<small>II</small>) compounds with the pentacyanopropenido ligand; structural characterisation of a substituted pyrazolo[1,5-<i>a</i>]pyrimidine","New Journal of Chemistry","2006","30","8","1197","","10.1039/b605030a","","","0.71073","MoKα","","0.0809","0.04","","","0.0549","0.0611","","","","","","0.929","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7052300","15.323","0.003","9.3464","0.0015","17.451","0.003","90","","104.854","0.003","90","","2415.7","0.7","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H22 N4 O4 -","- C30 H22 N4 O4 -","- C120 H88 N16 O16 -","4","1","","Zhao, Yong-gang; Zhang, Bing-guang; Duan, Chun-ying; Lin, Zhi-hua; Meng, Qing-jin","A highly selective fluorescent sensor for fluoride through ESPT signaling transduction","New Journal of Chemistry","2006","30","8","1207","","10.1039/b605087e","","","0.71073","MoKα","","0.1129","0.0505","","","0.0659","0.076","","","","","","0.958","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7052301","18.72","0.004","15.11","0.003","8.5745","0.0018","90","","94.249","0.004","90","","2418.7","0.9","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C29 H21 N5 O4 -","- C29 H21 N5 O4 -","- C116 H84 N20 O16 -","4","0.5","","Zhao, Yong-gang; Zhang, Bing-guang; Duan, Chun-ying; Lin, Zhi-hua; Meng, Qing-jin","A highly selective fluorescent sensor for fluoride through ESPT signaling transduction","New Journal of Chemistry","2006","30","8","1207","","10.1039/b605087e","","","0.71073","MoKα","","0.0724","0.0617","","","0.1593","0.1688","","","","","","1.103","","","","has coordinates","180077","2020-10-21","18:00:00",""
"7052302","21.554","0.001","11.479","0.0005","8.9428","0.0004","90","","101.235","0.002","90","","2170.21","0.17","373","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","?","- C16 Br2 Fe N6 O3 S2 -","- C64 Br8 Fe4 N24 O12 S8 -","4","1","","Sébastien Floquet; Nathalie Guillou; Philippe Négrier; Eric Rivière; Marie-Laure Boillot","The crystallographic phase transition for a ferric thiosemicarbazone spin crossover complex studied by X-ray powder diffraction","New Journal of Chemistry","2006","30","11","1621","","10.1039/b605326b","powder diffraction","","","X-ray","","","","","","","","","8.2288","","","","","","","","has coordinates","180077","2020-10-21","18:00:00",""
"7052303","20.715","0.002","11.397","0.001","8.8804","0.0007","90","","90.258","0.002","90","","2096.5","0.3","150","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","?","- C16 Br2 Fe N6 O3 S2 -","- C64 Br8 Fe4 N24 O12 S8 -","4","1","","Sébastien Floquet; Nathalie Guillou; Philippe Négrier; Eric Rivière; Marie-Laure Boillot","The crystallographic phase transition for a ferric thiosemicarbazone spin crossover complex studied by X-ray powder diffraction","New Journal of Chemistry","2006","30","11","1621","","10.1039/b605326b","powder diffraction","","","X-ray","","","","","","","","","9.4009","","","","","","","","has coordinates","180077","2020-10-21","18:00:00",""
"7052304","18.0981","0.0011","9.9666","0.0006","16.1701","0.0009","90","","112.87","0.001","90","","2687.4","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H42 N4 O2 P2 -","- C20 H42 N4 O2 P2 -","- C80 H168 N16 O8 P8 -","4","1","","Bhuvan Kumar, N. N.; Chakravarty, Manab; Kumara Swamy, K. C.","Structure and reactivity of tautomeric forms of zwitterionic species from the reaction of phosphorus(iii) compounds with electron deficient alkenes and alkynes","New Journal of Chemistry","2006","30","11","1614","","10.1039/b605430g","","","0.71073","MoKα","","0.0842","0.0629","","","0.1824","0.2011","","","","","","1.064","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7052305","9.516","0.0006","16.5945","0.0011","15.9106","0.001","90","","91.692","0.001","90","","2511.4","0.3","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H41 N5 P2 -","- C19 H41 N5 P2 -","- C76 H164 N20 P8 -","4","1","","Bhuvan Kumar, N. N.; Chakravarty, Manab; Kumara Swamy, K. C.","Structure and reactivity of tautomeric forms of zwitterionic species from the reaction of phosphorus(iii) compounds with electron deficient alkenes and alkynes","New Journal of Chemistry","2006","30","11","1614","","10.1039/b605430g","","","0.71073","MoKα","","0.0636","0.0536","","","0.1549","0.1647","","","","","","1.038","","","","has coordinates","180077","2020-10-21","18:00:00",""
"7052306","17.7038","0.0018","9.5956","0.001","17.7697","0.0018","90","","106.53","0.002","90","","2893.9","0.5","296","2","296","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C22 H44 N4 O4 P2 -","- C22 H44 N4 O4 P2 -","- C88 H176 N16 O16 P8 -","4","1","","Bhuvan Kumar, N. N.; Chakravarty, Manab; Kumara Swamy, K. C.","Structure and reactivity of tautomeric forms of zwitterionic species from the reaction of phosphorus(iii) compounds with electron deficient alkenes and alkynes","New Journal of Chemistry","2006","30","11","1614","","10.1039/b605430g","","","0.71073","MoKα","","0.0697","0.0647","","","0.1817","0.188","","","","","","1.053","","","","has coordinates","180077","2020-10-21","18:00:00",""
"7052307","9.7355","0.0006","11.2481","0.0006","17.0595","0.001","92.455","0.001","105.381","0.001","93.314","0.001","1794.91","0.18","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H53 N5 O2 P2 -","- C31 H53 N5 O2 P2 -","- C62 H106 N10 O4 P4 -","2","1","","Bhuvan Kumar, N. N.; Chakravarty, Manab; Kumara Swamy, K. C.","Structure and reactivity of tautomeric forms of zwitterionic species from the reaction of phosphorus(iii) compounds with electron deficient alkenes and alkynes","New Journal of Chemistry","2006","30","11","1614","","10.1039/b605430g","","","0.71073","MoKα","","0.0746","0.0602","","","0.1772","0.1905","","","","","","1.065","","","","has coordinates,has disorder","180077","2020-10-21","18:00:00",""
"7052308","9.5994","0.0004","15.8414","0.0007","21.0477","0.0009","90","","91.5","0.001","90","","3199.6","0.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H48 N6 O5 P2 -","- C26 H48 N6 O5 P2 -","- C104 H192 N24 O20 P8 -","4","1","","Bhuvan Kumar, N. N.; Chakravarty, Manab; Kumara Swamy, K. C.","Structure and reactivity of tautomeric forms of zwitterionic species from the reaction of phosphorus(iii) compounds with electron deficient alkenes and alkynes","New Journal of Chemistry","2006","30","11","1614","","10.1039/b605430g","","","0.71073","MoKα","","0.0683","0.0585","","","0.1397","0.1458","","","","","","1.09","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7052309","19.157","0.004","25.897","0.006","9.9046","0.0015","90","","90","","90","","4913.8","1.7","296","2","296","2","","","","","","","","5","I b a 2","I 2 -2c","45","","","","- C27 H30 N O2 P -","- C27 H30 N O2 P -","- C216 H240 N8 O16 P8 -","8","1","","Bhuvan Kumar, N. N.; Chakravarty, Manab; Kumara Swamy, K. C.","Structure and reactivity of tautomeric forms of zwitterionic species from the reaction of phosphorus(iii) compounds with electron deficient alkenes and alkynes","New Journal of Chemistry","2006","30","11","1614","","10.1039/b605430g","","","0.71073","MoKα","","0.0712","0.0498","","","0.1232","0.1325","","","","","","0.926","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7052310","8.8437","0.0012","8.7562","0.0011","13.5885","0.0018","90","","102.355","0.003","90","","1027.9","0.2","297","2","297","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H30 Cl2 Cu N6 O8 -","- C12 H30 Cl2 Cu N6 O8 -","- C24 H60 Cl4 Cu2 N12 O16 -","2","0.5","","Zhang, Bing; Ni, Zhong-Hai; Cui, Ai-Li; Kou, Hui-Zhong","Heterometallic trinuclear CuIIMIII2 (M = Fe or Cr) complexes with novel bridges and unusual magnetic properties","New Journal of Chemistry","2006","30","9","1327","","10.1039/b605521d","","","0.71073","MoKα","","0.0931","0.0698","","","0.1809","0.1921","","","","","","1.099","","","","has coordinates","180077","2020-10-21","18:00:00",""
"7052311","15.74","0.003","13.5539","0.0016","13.4949","0.0014","90","","90.108","0.01","90","","2879","0.7","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C52 H62 Cu Fe2 N18 O8 -","- C52 H62 Cu Fe2 N18 O8 -","- C104 H124 Cu2 Fe4 N36 O16 -","2","0.5","","Zhang, Bing; Ni, Zhong-Hai; Cui, Ai-Li; Kou, Hui-Zhong","Heterometallic trinuclear CuIIMIII2 (M = Fe or Cr) complexes with novel bridges and unusual magnetic properties","New Journal of Chemistry","2006","30","9","1327","","10.1039/b605521d","","","0.71073","MoKα","","0.17","0.0621","","","0.1136","0.161","","","","","","0.977","","","","has coordinates","180077","2020-10-21","18:00:00",""
"7052312","15.969","0.004","13.5984","0.0015","13.4235","0.0011","90","","90.115","0.012","90","","2914.9","0.8","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C52 H62 Cr2 Cu N18 O8 -","- C52 H62 Cr2 Cu N18 O8 -","- C104 H124 Cr4 Cu2 N36 O16 -","2","0.5","","Zhang, Bing; Ni, Zhong-Hai; Cui, Ai-Li; Kou, Hui-Zhong","Heterometallic trinuclear CuIIMIII2 (M = Fe or Cr) complexes with novel bridges and unusual magnetic properties","New Journal of Chemistry","2006","30","9","1327","","10.1039/b605521d","","","0.71073","MoKα","","0.1571","0.069","","","0.1564","0.2004","","","","","","0.964","","","","has coordinates","180077","2020-10-21","18:00:00",""
"7052313","10.761","0.002","15.6358","0.0019","14.1161","0.0018","90","","94.63","0.012","90","","2367.4","0.6","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C46 H48 Cu Fe2 N16 O6 -","- C46 H44 Cu Fe2 N16 O6 -","- C92 H88 Cu2 Fe4 N32 O12 -","2","0.5","","Zhang, Bing; Ni, Zhong-Hai; Cui, Ai-Li; Kou, Hui-Zhong","Heterometallic trinuclear CuIIMIII2 (M = Fe or Cr) complexes with novel bridges and unusual magnetic properties","New Journal of Chemistry","2006","30","9","1327","","10.1039/b605521d","","","0.71073","MoKα","","0.0555","0.0374","","","0.0958","0.1178","","","","","","1.105","","","","has coordinates","180077","2020-10-21","18:00:00",""
"7052314","6.1825","0.0008","18.9953","0.0015","16.605","0.002","90","","90.93","0.004","90","","1949.8","0.4","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","1alpha,2alpha,3beta,4beta-1,3-bis(2,3,5,6-tetrafluoro-4-iodo- phenyl)-2,4-bis(4-phenyl-dimethylamine)cyclobutane","","","- C34 H26 Cl6 F8 I2 N2 -","- C34 H26 Cl6 F8 I2 N2 -","- C68 H52 Cl12 F16 I4 N4 -","2","0.5","","Marras, Giovanni; Metrangolo, Pierangelo; Meyer, Franck; Pilati, Tullio; Resnati, Giuseppe; Vij, Ashwani","Solid state synthesis under supramolecular control of a 2D heterotetratopic self-complementary tecton tailored to halogen bonding","New Journal of Chemistry","2006","30","10","1397","","10.1039/b605958a","","","0.71073","MoKα","","0.0327","0.0281","","","0.077","0.0801","","","","","","1.045","","","","has coordinates,has disorder","180077","2020-10-21","18:00:00",""
"7052315","10.174","0.002","11.671","0.002","13.043","0.004","90","","103.26","0.03","90","","1507.4","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","dimethyl-(4-(2-(2,3,5,6-tetrafluoro-4-iodo-phenyl)-vinyl)- phenyl)-amine","","","- C16 H12 F4 I N -","- C16 H12 F4 I N -","- C64 H48 F16 I4 N4 -","4","1","","Marras, Giovanni; Metrangolo, Pierangelo; Meyer, Franck; Pilati, Tullio; Resnati, Giuseppe; Vij, Ashwani","Solid state synthesis under supramolecular control of a 2D heterotetratopic self-complementary tecton tailored to halogen bonding","New Journal of Chemistry","2006","30","10","1397","","10.1039/b605958a","","","0.71073","MoKα","","0.0423","0.0361","","","0.0996","0.1048","","","","","","1.006","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7052316","11.8168","0.0005","12.6942","0.0007","12.9752","0.0007","86.737","0.002","65.501","0.003","79.661","0.004","1742.02","0.16","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C72 H88 Cl4 N4 O8 U2 -","- C72 H88 Cl4 N4 O8 U2 -","- C72 H88 Cl4 N4 O8 U2 -","1","0.5","","Lionel Salmon; Pierre Thuéry; Eric Rivière; Shinpei Miyamoto; Takehiko Yamato; Michel Ephritikhine","Synthesis, structure and magnetic behaviour of dinuclear uranium(<small>IV</small>) complexes with a ‘calixsalophen’ type macrocycle","New Journal of Chemistry","2006","30","8","1220","","10.1039/b606035h","","","0.71073","MoKα","","0.0443","0.033","","","0.0685","0.0717","","","","","","1.04","","","","has coordinates","180077","2020-10-21","18:00:00",""
"7052317","14.2822","0.0009","12.0928","0.0003","21.8206","0.0012","90","","91.604","0.003","90","","3767.2","0.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C81 H81 Cl4 N9 O4 U2 -","- C82 H76 Cl4 N8 O4 U2 -","- C164 H152 Cl8 N16 O8 U4 -","2","0.5","","Lionel Salmon; Pierre Thuéry; Eric Rivière; Shinpei Miyamoto; Takehiko Yamato; Michel Ephritikhine","Synthesis, structure and magnetic behaviour of dinuclear uranium(<small>IV</small>) complexes with a ‘calixsalophen’ type macrocycle","New Journal of Chemistry","2006","30","8","1220","","10.1039/b606035h","","","0.71073","MoKα","","0.055","0.0409","","","0.1104","0.116","","","","","","1.102","","","","has coordinates,has disorder","180077","2020-10-21","18:00:00",""
"7052318","16.2734","0.0004","29.7951","0.001","20.3134","0.0005","90","","111.161","0.002","90","","9185.2","0.5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C96 H124 N4 O17 U2 -","- C96 H124 N4 O17 U2 -","- C384 H496 N16 O68 U8 -","4","1","","Lionel Salmon; Pierre Thuéry; Eric Rivière; Shinpei Miyamoto; Takehiko Yamato; Michel Ephritikhine","Synthesis, structure and magnetic behaviour of dinuclear uranium(<small>IV</small>) complexes with a ‘calixsalophen’ type macrocycle","New Journal of Chemistry","2006","30","8","1220","","10.1039/b606035h","","","0.71073","MoKα","","0.0796","0.0486","","","0.0971","0.1086","","","","","","1.009","","","","has coordinates","180077","2020-10-21","18:00:00",""
"7052319","15.5199","0.0004","16.7753","0.0006","18.1932","0.0008","77.591","0.002","81.494","0.003","68.004","0.002","4277.3","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C91 H102 N6 O14 U2 -","- C91 H102 N6 O14 U2 -","- C182 H204 N12 O28 U4 -","2","1","","Lionel Salmon; Pierre Thuéry; Eric Rivière; Shinpei Miyamoto; Takehiko Yamato; Michel Ephritikhine","Synthesis, structure and magnetic behaviour of dinuclear uranium(<small>IV</small>) complexes with a ‘calixsalophen’ type macrocycle","New Journal of Chemistry","2006","30","8","1220","","10.1039/b606035h","","","0.71073","MoKα","","0.0456","0.0309","","","0.0687","0.0739","","","","","","1.014","","","","has coordinates","180077","2020-10-21","18:00:00",""
"7052320","9.6797","0.0003","12.6462","0.0004","17.6494","0.0006","87.281","0.002","75.648","0.002","87.824","0.002","2089.94","0.12","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C86 H62 I4 N12 O3 Zn4 -","- C86 H52 I4 N12 O3 Zn4 -","- C86 H52 I4 N12 O3 Zn4 -","1","0.5","","Emmanuel Deiters; Véronique Bulach; Mir Wais Hosseini","Porphyrin based metallamacrocycles","New Journal of Chemistry","2006","30","9","1289","","10.1039/b606041m","","","0.71073","MoKα","","0.0942","0.0566","","","0.1754","0.1961","","","","","","1.1","","","","has coordinates,has disorder","180077","2020-10-21","18:00:00",""
"7052321","9.8032","0.0003","12.5002","0.0004","17.7426","0.0005","86.91","0.002","75.738","0.001","86.087","0.002","2100.74","0.11","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C86 H58 Cd2 Cl6 I4 N12 -","- C86 H58 Cd2 Cl6 I4 N12 -","- C86 H58 Cd2 Cl6 I4 N12 -","1","0.5","","Emmanuel Deiters; Véronique Bulach; Mir Wais Hosseini","Porphyrin based metallamacrocycles","New Journal of Chemistry","2006","30","9","1289","","10.1039/b606041m","","","0.71073","MoKα","","0.061","0.0452","","","0.1442","0.155","","","","","","1.045","","","","has coordinates,has disorder","180077","2020-10-21","18:00:00",""
"7052322","9.8204","0.0003","12.4299","0.0003","17.7025","0.0005","86.592","0.001","75.992","0.001","85.872","0.001","2089.21","0.1","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C86 H58 Cl6 Hg2 I4 N12 -","- C86 H58 Cl6 Hg2 I4 N12 -","- C86 H58 Cl6 Hg2 I4 N12 -","1","0.5","","Emmanuel Deiters; Véronique Bulach; Mir Wais Hosseini","Porphyrin based metallamacrocycles","New Journal of Chemistry","2006","30","9","1289","","10.1039/b606041m","","","0.71073","MoKα","","0.0685","0.0461","","","0.114","0.1209","","","","","","1.08","","","","has coordinates","180077","2020-10-21","18:00:00",""
"7052323","9.7586","0.0005","12.4722","0.0005","17.6672","0.0007","87.06","0.002","75.477","0.002","85.986","0.002","2075.21","0.16","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C86 H54 Cd2 Cl6 Cu2 I4 N12 -","- C86 H54 Cd2 Cl6 Cu2 I4 N12 -","- C86 H54 Cd2 Cl6 Cu2 I4 N12 -","1","0.5","","Emmanuel Deiters; Véronique Bulach; Mir Wais Hosseini","Porphyrin based metallamacrocycles","New Journal of Chemistry","2006","30","9","1289","","10.1039/b606041m","","","0.71073","MoKα","","0.1048","0.0508","","","0.1026","0.1253","","","","","","1.011","","","","has coordinates,has disorder","180077","2020-10-21","18:00:00",""
"7052324","9.5541","0.0004","12.5202","0.0005","17.6342","0.0006","86.332","0.002","76.009","0.002","87.361","0.002","2041.6","0.14","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C86 H54 Br4 Cl6 Cu2 Hg2 N12 -","- C86 H54 Br4 Cl6 Cu2 Hg2 N12 -","- C86 H54 Br4 Cl6 Cu2 Hg2 N12 -","1","0.5","","Emmanuel Deiters; Véronique Bulach; Mir Wais Hosseini","Porphyrin based metallamacrocycles","New Journal of Chemistry","2006","30","9","1289","","10.1039/b606041m","","","0.71073","MoKα","","0.0801","0.0509","","","0.1125","0.1234","","","","","","1.058","","","","has coordinates,has disorder","180077","2020-10-21","18:00:00",""
"7052325","8.7969","0.0006","17.9832","0.0013","17.5198","0.0012","90","","90.364","0.001","90","","2771.5","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H24 Cl2 Cu N8 O12 -","- C22 H24 Cl2 Cu N8 O12 -","- C88 H96 Cl8 Cu4 N32 O48 -","4","1","","Krishna Kumar, D.; Das, Amitava; Dastidar, Parthasarathi","Exploring conformationally flexible hydrogen-bond-functionalized ligand and counter anions in metal?organic frameworks of Cu(ii)","New Journal of Chemistry","2006","30","9","1267","","10.1039/b606150h","","","0.71073","MoKα","","0.0575","0.0406","","","0.097","0.1042","","","","","","1.026","","","","has coordinates","180077","2020-10-21","18:00:00",""
"7052326","9.0522","0.0006","18.0988","0.0012","19.5538","0.0013","90","","95.286","0.001","90","","3190","0.4","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C24 H24 Cu F6 N8 O10 S2 -","- C24 H24 Cu F6 N8 O10 S2 -","- C96 H96 Cu4 F24 N32 O40 S8 -","4","1","","Krishna Kumar, D.; Das, Amitava; Dastidar, Parthasarathi","Exploring conformationally flexible hydrogen-bond-functionalized ligand and counter anions in metal?organic frameworks of Cu(ii)","New Journal of Chemistry","2006","30","9","1267","","10.1039/b606150h","","","0.71073","MoKα","","0.0632","0.0427","","","0.097","0.1053","","","","","","1.021","","","","has coordinates","180077","2020-10-21","18:00:00",""
"7052327","21.398","0.002","17.9035","0.0017","17.4386","0.0017","90","","105.302","0.002","90","","6443.9","1.1","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C23 H24 Cu F6 N8 O5 Si -","- C23 H24 Cu F6 N8 O5 Si -","- C184 H192 Cu8 F48 N64 O40 Si8 -","8","1","","Krishna Kumar, D.; Das, Amitava; Dastidar, Parthasarathi","Exploring conformationally flexible hydrogen-bond-functionalized ligand and counter anions in metal?organic frameworks of Cu(ii)","New Journal of Chemistry","2006","30","9","1267","","10.1039/b606150h","","","0.71073","MoKα","","0.1446","0.0726","","","0.1677","0.1931","","","","","","0.921","","","","has coordinates","180077","2020-10-21","18:00:00",""
"7052328","21.2107","0.0014","17.9344","0.0012","17.5455","0.0012","90","","104.877","0.001","90","","6450.6","0.8","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C22 H24 Cu F6 N8 O4.5 Si -","- C22 H24 Cu F6 N8 O4.5 Si -","- C176 H192 Cu8 F48 N64 O36 Si8 -","8","1","","Krishna Kumar, D.; Das, Amitava; Dastidar, Parthasarathi","Exploring conformationally flexible hydrogen-bond-functionalized ligand and counter anions in metal?organic frameworks of Cu(ii)","New Journal of Chemistry","2006","30","9","1267","","10.1039/b606150h","","","0.71073","MoKα","","0.0442","0.0403","","","0.1124","0.1162","","","","","","1.064","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7052329","7.704","0.004","21.708","0.011","12.165","0.005","90","","122.77","0.02","90","","1710.7","1.5","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H18 Cu N4 O8 S -","- C12 H18 Cu N4 O8 S -","- C48 H72 Cu4 N16 O32 S4 -","4","1","","Krishna Kumar, D.; Das, Amitava; Dastidar, Parthasarathi","Exploring conformationally flexible hydrogen-bond-functionalized ligand and counter anions in metal?organic frameworks of Cu(ii)","New Journal of Chemistry","2006","30","9","1267","","10.1039/b606150h","","","0.71073","MoKα","","0.0942","0.0472","","","0.106","0.123","","","","","","0.902","","","","has coordinates","180077","2020-10-21","18:00:00",""
"7052330","8.3292","0.0007","9.7989","0.0008","13.155","0.001","80.124","0.001","74.892","0.001","88.202","0.001","1021.1","0.14","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C11 H16 Cu N6 O10 -","- C11 H16 Cu N6 O10 -","- C22 H32 Cu2 N12 O20 -","2","1","","Krishna Kumar, D.; Das, Amitava; Dastidar, Parthasarathi","Exploring conformationally flexible hydrogen-bond-functionalized ligand and counter anions in metal?organic frameworks of Cu(ii)","New Journal of Chemistry","2006","30","9","1267","","10.1039/b606150h","","","0.71073","MoKα","","0.0495","0.0428","","","0.1307","0.1394","","","","","","1.108","","","","has coordinates","180077","2020-10-21","18:00:00",""
"7052331","17.8434","0.0006","17.8434","0.0006","8.654","0.0006","90","","90","","120","","2386.2","0.2","173","2","173","2","","","","","","","","4","P -3","-P 3","147","","","","- C90 H132 Co2 N24 -","- C90 H132 Co2 N24 -","- C90 H132 Co2 N24 -","1","0.166667","","Dechambenoit, Pierre; Ferlay, Sylvie; Hosseini, Mir Wais; Planeix, Jean-Marc; Kyritsakas, Nathalie","Molecular tectonics: control of packing of hybrid 1-D and 2-D H-bonded molecular networks formed between bisamidinium dication and cyanometallate anions","New Journal of Chemistry","2006","30","10","1403","","10.1039/b606265m","","","0.71073","MoKα","","0.105","0.0566","","","0.1313","0.1479","","","","","","1.019","","","","has coordinates","180077","2020-10-21","18:00:00",""
"7052332","18.1638","0.0014","18.1638","0.0014","8.5506","0.0012","90","","90","","120","","2443.1","0.4","173","2","173","2","","","","","","","","4","P -3","-P 3","147","","","","- C90 H132 Cr2 N24 -","- C90 H132 Cr2 N24 -","- C90 H132 Cr2 N24 -","1","0.166667","","Dechambenoit, Pierre; Ferlay, Sylvie; Hosseini, Mir Wais; Planeix, Jean-Marc; Kyritsakas, Nathalie","Molecular tectonics: control of packing of hybrid 1-D and 2-D H-bonded molecular networks formed between bisamidinium dication and cyanometallate anions","New Journal of Chemistry","2006","30","10","1403","","10.1039/b606265m","","","0.71073","MoKα","","0.1019","0.0512","","","0.1299","0.1619","","","","","","1.072","","","","has coordinates","180077","2020-10-21","18:00:00",""
"7052333","17.9242","0.0004","17.9242","0.0004","8.614","0.0004","90","","90","","120","","2396.71","0.13","173","2","173","2","","","","","","","","4","P -3","-P 3","147","","","","- C90 H132 Fe2 N24 -","- C90 H132 Fe2 N24 -","- C90 H132 Fe2 N24 -","1","0.166667","","Dechambenoit, Pierre; Ferlay, Sylvie; Hosseini, Mir Wais; Planeix, Jean-Marc; Kyritsakas, Nathalie","Molecular tectonics: control of packing of hybrid 1-D and 2-D H-bonded molecular networks formed between bisamidinium dication and cyanometallate anions","New Journal of Chemistry","2006","30","10","1403","","10.1039/b606265m","","","0.71073","MoKα","","0.0747","0.0435","","","0.1083","0.1304","","","","","","1.056","","","","has coordinates","180077","2020-10-21","18:00:00",""
"7052334","17.9242","0.0004","17.9242","0.0004","8.614","0.0004","90","","90","","120","","2396.71","0.13","173","2","173","2","","","","","","","","4","P -3","-P 3","147","","","","- C90 H132 Fe2 N24 -","- C90 H132 Fe2 N24 -","- C90 H132 Fe2 N24 -","1","0.166667","","Dechambenoit, Pierre; Ferlay, Sylvie; Hosseini, Mir Wais; Planeix, Jean-Marc; Kyritsakas, Nathalie","Molecular tectonics: control of packing of hybrid 1-D and 2-D H-bonded molecular networks formed between bisamidinium dication and cyanometallate anions","New Journal of Chemistry","2006","30","10","1403","","10.1039/b606265m","","","0.71073","MoKα","","0.0747","0.0435","","","0.1083","0.1304","","","","","","1.056","","","","has coordinates","180077","2020-10-21","18:00:00",""
"7052335","9.1738","0.0006","9.4718","0.0006","17.6898","0.0013","100.914","0.003","92.932","0.004","103.963","0.004","1457.13","0.17","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H48 Cl2 N4 O2 -","- C26 H48 Cl2 N4 O2 -","- C52 H96 Cl4 N8 O4 -","2","1","","Dechambenoit, Pierre; Ferlay, Sylvie; Hosseini, Mir Wais; Planeix, Jean-Marc; Kyritsakas, Nathalie","Molecular tectonics: control of packing of hybrid 1-D and 2-D H-bonded molecular networks formed between bisamidinium dication and cyanometallate anions","New Journal of Chemistry","2006","30","10","1403","","10.1039/b606265m","","","0.71073","MoKα","","0.1199","0.0545","","","0.1036","0.1238","","","","","","1.017","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7052336","8.202","0.0002","9.5615","0.0002","10.9335","0.0003","68.098","0.002","84.437","0.001","84.412","0.001","790.07","0.04","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H44 N8 Ni -","- C30 H44 N8 Ni -","- C30 H44 N8 Ni -","1","0.5","","Dechambenoit, Pierre; Ferlay, Sylvie; Hosseini, Mir Wais; Planeix, Jean-Marc; Kyritsakas, Nathalie","Molecular tectonics: control of packing of hybrid 1-D and 2-D H-bonded molecular networks formed between bisamidinium dication and cyanometallate anions","New Journal of Chemistry","2006","30","10","1403","","10.1039/b606265m","","","0.71073","MoKα","","0.0432","0.0346","","","0.0868","0.0901","","","","","","1.048","","","","has coordinates","180077","2020-10-21","18:00:00",""
"7052337","8.27","0.0017","9.5086","0.0019","10.937","0.002","70.1","0.03","85.07","0.03","85.64","0.03","804.7","0.3","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H44 N8 Pd -","- C30 H44 N8 Pd -","- C30 H44 N8 Pd -","1","0.5","","Dechambenoit, Pierre; Ferlay, Sylvie; Hosseini, Mir Wais; Planeix, Jean-Marc; Kyritsakas, Nathalie","Molecular tectonics: control of packing of hybrid 1-D and 2-D H-bonded molecular networks formed between bisamidinium dication and cyanometallate anions","New Journal of Chemistry","2006","30","10","1403","","10.1039/b606265m","","","0.71073","MoKα","","0.0323","0.0299","","","0.0768","0.0848","","","","","","1.086","","","","has coordinates","180077","2020-10-21","18:00:00",""
"7052338","8.2909","0.0002","9.4857","0.0002","10.9177","0.0002","70.191","0.001","84.936","0.001","85.713","0.001","803.74","0.03","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H44 N8 Pt -","- C30 H44 N8 Pt -","- C30 H44 N8 Pt -","1","0.5","","Dechambenoit, Pierre; Ferlay, Sylvie; Hosseini, Mir Wais; Planeix, Jean-Marc; Kyritsakas, Nathalie","Molecular tectonics: control of packing of hybrid 1-D and 2-D H-bonded molecular networks formed between bisamidinium dication and cyanometallate anions","New Journal of Chemistry","2006","30","10","1403","","10.1039/b606265m","","","0.71073","MoKα","","0.0175","0.0175","","","0.0427","0.0427","","","","","","1.088","","","","has coordinates","180077","2020-10-21","18:00:00",""
"7052339","10.9846","0.0003","11.4743","0.0004","17.4918","0.0008","81.101","0.001","89.017","0.001","65.707","0.002","1982.62","0.13","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H48 N4 O2 Si -","- C44 H48 N4 O2 Si -","- C88 H96 N8 O4 Si2 -","2","1","","Nans Roques; Philippe Gerbier; Yoshio Teki; Sylvie Choua; Petra Lesniakovà; Jean-Pascal Sutter; Philippe Guionneau; Christian Guérin","Towards a better understanding of photo-excited spin alignment processes using silole diradicals","New Journal of Chemistry","2006","30","9","1319","","10.1039/b606593g","","","0.71073","MoKα","","0.149","0.0691","","","0.1477","0.1823","","","","","","0.986","","","","has coordinates","180077","2020-10-21","18:00:00",""
"7052340","22.247","0.004","10.04","0.002","20.632","0.004","90","","95.89","0.03","90","","4584","1.5","180","","180","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C45 H47 Cl5 N O3 P3 Ru -","- C45 H47 Cl5 N O3 P3 Ru -","- C180 H188 Cl20 N4 O12 P12 Ru4 -","4","1","","Alba E. Díaz-Álvarez; Pascale Crochet; Maria Zablocka; Victorio Cadierno; Carine Duhayon; José Gimeno; Jean-Pierre Majoral","Imination reactions of free and coordinated 2-diphenylphosphino-1-phenyl-phospholane: Access to regioisomeric ruthenium(<small>II</small>) complexes containing novel iminophosphorane‒phosphine ligands","New Journal of Chemistry","2006","30","9","1295","","10.1039/b606781f","","","0.71073","MoKα","","0.0884","0.0417","","0.0519","0.0493","0.0493","","","","","","1.1191","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7052341","9.2949","0.0018","12.576","0.003","18.412","0.003","101.298","0.017","90.983","0.015","95.652","0.017","2098.8","0.7","180","","180","","","","","","","","","8","P -1","-P 1","2","","","","- C78 H72 Cl2 F20 N4 P4 Ru2 Sb2 -","- C78 H72 Cl2 F20 N4 P4 Ru2 Sb2 -","- C78 H72 Cl2 F20 N4 P4 Ru2 Sb2 -","1","0.5","","Alba E. Díaz-Álvarez; Pascale Crochet; Maria Zablocka; Victorio Cadierno; Carine Duhayon; José Gimeno; Jean-Pierre Majoral","Imination reactions of free and coordinated 2-diphenylphosphino-1-phenyl-phospholane: Access to regioisomeric ruthenium(<small>II</small>) complexes containing novel iminophosphorane‒phosphine ligands","New Journal of Chemistry","2006","30","9","1295","","10.1039/b606781f","","","0.71073","MoKα","","0.3028","0.0831","","0.1228","0.0848","0.0848","","","","","","1.121","","","","has coordinates","180077","2020-10-21","18:00:00",""
"7052342","15.457","0.001","14.693","0.0008","20.184","0.0011","90","","99.75","0.005","90","","4517.8","0.5","180","","180","","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C86 H92 Cl2 F20 N4 O2 P4 Ru2 Sb2 -","- C86 H92 Cl2 F20 N4 O2 P4 Ru2 Sb2 -","- C172 H184 Cl4 F40 N8 O4 P8 Ru4 Sb4 -","2","0.5","","Alba E. Díaz-Álvarez; Pascale Crochet; Maria Zablocka; Victorio Cadierno; Carine Duhayon; José Gimeno; Jean-Pierre Majoral","Imination reactions of free and coordinated 2-diphenylphosphino-1-phenyl-phospholane: Access to regioisomeric ruthenium(<small>II</small>) complexes containing novel iminophosphorane‒phosphine ligands","New Journal of Chemistry","2006","30","9","1295","","10.1039/b606781f","","","0.71073","MoKα","","0.1657","0.0637","","0.0828","0.0675","0.0675","","","","","","1.1485","","","","has coordinates","180077","2020-10-21","18:00:00",""
"7052343","13.8941","0.0017","19.078","0.004","10.2235","0.0014","90","","128.293","0.005","90","","2126.9","0.6","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C12 H36 I N4 O4 Re -","- C12 H32 I N4 O4 Re -","- C48 H128 I4 N16 O16 Re4 -","4","0.5","","Jorge S. Gancheff; Carlos Kremer; Oscar N. Ventura; Sixto Domínguez; Carla Bazzicalupi; Antonio Bianchi; Leopoldo Suescun; Alvaro W. Mombrú","ReO<small><sub>2</sub></small><small><sup>+</sup></small> chelates with aliphatic diamines. Structural and proton transfer properties","New Journal of Chemistry","2006","30","11","1650","","10.1039/b606797b","","","0.71069","MoKα","","0.0554","0.043","","","0.126","0.1335","","","","","","1.102","","","","has coordinates","180077","2020-10-21","18:00:00",""
"7052344","8.513","0.005","15.322","0.005","16.926","0.005","90","","90","","90","","2207.8","1.6","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C12 H33 Cl2 N4 O10 Re -","- C12 H32 Cl2 N4 O10 Re -","- C48 H128 Cl8 N16 O40 Re4 -","4","0.5","","Jorge S. Gancheff; Carlos Kremer; Oscar N. Ventura; Sixto Domínguez; Carla Bazzicalupi; Antonio Bianchi; Leopoldo Suescun; Alvaro W. Mombrú","ReO<small><sub>2</sub></small><small><sup>+</sup></small> chelates with aliphatic diamines. Structural and proton transfer properties","New Journal of Chemistry","2006","30","11","1650","","10.1039/b606797b","","","0.71069","MoKα","","0.0782","0.0422","","","0.0834","0.0965","","","","","","1.044","","","","has coordinates","180077","2020-10-21","18:00:00",""
"7052345","8.9398","0.0003","9.4924","0.0003","10.0886","0.0003","90","","90","","90","","856.12","0.05","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","p-bromophenyl methyl sulfoxide","p-bromophenyl methyl sulfoxide","","- C7 H7 Br O S -","- C7 H7 Br O S -","- C28 H28 Br4 O4 S4 -","4","1","","Naso, Francesco; Cardellicchio, Cosimo; Capozzi, Maria Annunziata M.; Capitelli, Francesco; Bertolasi, Valerio","Self-assemblies of chiral p-haloaryl sulfoxides through C?H?O short contacts and halogen involving interactions","New Journal of Chemistry","2006","30","12","1782","","10.1039/b607545b","","","0.71073","MoKα","","0.04","0.0319","","","0.0777","0.081","","","","","","1.062","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7052346","9.4483","0.0004","10.3257","0.0005","10.9739","0.0006","90","","90","","90","","1070.62","0.09","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","p-bromophenyl i-propyl sulfoxide","p-bromophenyl i-propyl sulfoxide","","- C9 H11 Br O S -","- C9 H11 Br O S -","- C36 H44 Br4 O4 S4 -","4","1","","Naso, Francesco; Cardellicchio, Cosimo; Capozzi, Maria Annunziata M.; Capitelli, Francesco; Bertolasi, Valerio","Self-assemblies of chiral p-haloaryl sulfoxides through C?H?O short contacts and halogen involving interactions","New Journal of Chemistry","2006","30","12","1782","","10.1039/b607545b","","","0.71073","MoKα","","0.0866","0.0561","","","0.1546","0.172","","","","","","1.056","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7052347","6.1391","0.0002","7.7239","0.0002","24.0213","0.0008","90","","90","","90","","1139.04","0.06","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","p-bromophenyl phenyl sulfoxide","p-bromophenyl phenyl sulfoxide","","- C12 H9 Br O S -","- C12 H9 Br O S -","- C48 H36 Br4 O4 S4 -","4","1","","Naso, Francesco; Cardellicchio, Cosimo; Capozzi, Maria Annunziata M.; Capitelli, Francesco; Bertolasi, Valerio","Self-assemblies of chiral p-haloaryl sulfoxides through C?H?O short contacts and halogen involving interactions","New Journal of Chemistry","2006","30","12","1782","","10.1039/b607545b","","","0.71073","MoKα","","0.0562","0.0411","","","0.0964","0.1025","","","","","","1.058","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7052348","4.6262","0.0001","9.2833","0.0003","20.717","0.0008","90","","90","","90","","889.72","0.05","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","chloromethyl p-chlorophenyl sulfoxide","chloromethyl p-chlorophenyl sulfoxide","","- C7 H6 Cl2 O S -","- C7 H6 Cl2 O S -","- C28 H24 Cl8 O4 S4 -","4","1","","Naso, Francesco; Cardellicchio, Cosimo; Capozzi, Maria Annunziata M.; Capitelli, Francesco; Bertolasi, Valerio","Self-assemblies of chiral p-haloaryl sulfoxides through C?H?O short contacts and halogen involving interactions","New Journal of Chemistry","2006","30","12","1782","","10.1039/b607545b","","","0.71073","MoKα","","0.051","0.0343","","","0.0761","0.0836","","","","","","1.038","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7052349","13.56","0.011","7.385","0.006","26.06","0.02","90","","90","","90","","2610","4","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C13 H11 N5 O3 -","- C13 H11 N5 O3 -","- C104 H88 N40 O24 -","8","1","","Moloy Sarkar; Sandip Banthia; Aditi Patil; Mohd. Bismillah Ansari; Anunay Samanta","pH-Regulated “Off‒On” fluorescence signalling of d-block metal ions in aqueous media and realization of molecular IMP logic function","New Journal of Chemistry","2006","30","11","1557","","10.1039/b607642d","","","0.71073","MoKα","","0.1312","0.0567","","","0.1164","0.1495","","","","","","0.95","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7052350","11.609","0.002","23.52","0.005","35.59","0.007","90","","95.59","0.03","90","","9671","3","173","2","173","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C85 H80 Ag2 Cl18 N4 O15 S2 -","- C85 H80 Ag2 Cl18 N4 O15 S2 -","- C340 H320 Ag8 Cl72 N16 O60 S8 -","4","0.5","","Laugel, Guillaume; Graf, Ernest; Hosseini, Mir Wais; Planeix, Jean-Marc; Kyritsakas, Nathalie","Molecular tectonics: on the formation of tubular coordination networks","New Journal of Chemistry","2006","30","9","1340","","10.1039/b607982m","","","0.71073","MoKα","","0.112","0.0759","","","0.223","0.2545","","","","","","1.04","","","","has coordinates","180077","2020-10-21","18:00:00",""
"7052351","17.0505","0.0006","17.6067","0.0006","12.0448","0.0005","90","","90","","90","","3615.9","0.2","273","2","273","2","","","","","","","","4","P b a n :2","-P 2ab 2b","50","","","","- C70 H60 N4 O9.5 -","- C70 H60 N4 O9.5 -","- C140 H120 N8 O19 -","2","0.25","","Laugel, Guillaume; Graf, Ernest; Hosseini, Mir Wais; Planeix, Jean-Marc; Kyritsakas, Nathalie","Molecular tectonics: on the formation of tubular coordination networks","New Journal of Chemistry","2006","30","9","1340","","10.1039/b607982m","","","0.71073","MoKα","","0.1995","0.1117","","","0.2533","0.2845","","","","","","1.164","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7052352","22.5845","0.001","12.3139","0.0005","17.2598","0.0006","90","","90","","90","","4800","0.3","173","2","173","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C71 H60 Cl4.5 Hg2 N4 O11 -","- C71 H60 Cl4.5 Hg2 N4 O11 -","- C142 H120 Cl9 Hg4 N8 O22 -","2","0.5","","Laugel, Guillaume; Graf, Ernest; Hosseini, Mir Wais; Planeix, Jean-Marc; Kyritsakas, Nathalie","Molecular tectonics: on the formation of tubular coordination networks","New Journal of Chemistry","2006","30","9","1340","","10.1039/b607982m","","","0.71073","MoKα","","0.1209","0.0938","","","0.2468","0.2744","","","","","","1.111","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7052353","6.4541","0.0001","10.0694","0.0002","26.7131","0.0006","98.7916","0.0011","93.26","0.0014","107.242","0.0013","1628.93","0.06","123","","123","","","","","","","","?","4","P -1","-P 1","2","","","","- C39 H51 N3 O -","- C39 H51 N3 O -","- C78 H102 N6 O2 -","2","1","","Edwin C. Constable; H.-J. Güntherodt; Catherine E. Housecroft; Leo Merz; Markus Neuburger; Silvia Schaffner; Yaqiu Tao","An evaluation of the relationship between two- and three-dimensional packing in self-organised monolayers and bulk crystals of amphiphilic 2,2′:6′,2″-terpyridines","New Journal of Chemistry","2006","30","10","1470","","10.1039/b608136c","","","0.71073","MoKα","","0.0489","0.0399","","0.0369","0.036","0.036","","","","","","1.1594","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7052354","6.4461","0.0003","10.3457","0.0005","18.8455","0.0008","83.808","0.003","86.289","0.003","72.097","0.002","1188.3","0.1","173","","173","","","","","","","","","4","P -1","-P 1","2","","","","- C29 H31 N3 O -","- C29 H31 N3 O -","- C58 H62 N6 O2 -","2","1","","Edwin C. Constable; H.-J. Güntherodt; Catherine E. Housecroft; Leo Merz; Markus Neuburger; Silvia Schaffner; Yaqiu Tao","An evaluation of the relationship between two- and three-dimensional packing in self-organised monolayers and bulk crystals of amphiphilic 2,2′:6′,2″-terpyridines","New Journal of Chemistry","2006","30","10","1470","","10.1039/b608136c","","","0.71073","MoKα","","0.0725","0.0438","","0.0965","0.0529","0.0529","","","","","","1.128","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7052355","51.0346","0.0008","5.4728","0.0001","20.8564","0.0003","90","","95.9507","0.0007","90","","5793.85","0.16","173","","173","","","","","","","","?","4","C 1 2/c 1","-C 2yc","15","","","","- C33 H47 N3 O -","- C33 H47 N3 O -","- C264 H376 N24 O8 -","8","1","","Edwin C. Constable; H.-J. Güntherodt; Catherine E. Housecroft; Leo Merz; Markus Neuburger; Silvia Schaffner; Yaqiu Tao","An evaluation of the relationship between two- and three-dimensional packing in self-organised monolayers and bulk crystals of amphiphilic 2,2′:6′,2″-terpyridines","New Journal of Chemistry","2006","30","10","1470","","10.1039/b608136c","","","0.71073","MoKα","","0.041","0.0365","","0.0473","0.0459","0.0459","","","","","","0.988","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7052356","13.17","0.002","14.881","0.003","16.134","0.003","88.648","0.003","76.965","0.003","69.77","0.003","2885.4","0.9","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C98 H102 Cu4 N48 O36 -","- C98 H78 Cu4 N48 O36 -","- C98 H78 Cu4 N48 O36 -","1","0.5","","Hélène Casellas; Chiara Massera; Francesco Buda; Patrick Gamez; Jan Reedijk","Crystallographic evidence of theoretically novel anion‒π interactions","New Journal of Chemistry","2006","30","11","1561","","10.1039/b608172j","","","0.71069","MoKα","","0.1216","0.0598","","","0.1435","0.1677","","","","","","1.009","","","","has coordinates","180077","2020-10-21","18:00:00",""
"7052357","6.8245","0.0005","9.5538","0.0007","12.6278","0.0009","77.174","0.004","84.4","0.004","82.637","0.004","794.13","0.1","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","2-amino-4-methyl-6-(3-pyridyl)pyrimidine,4-nitrobenzoic acid","","- C17 H15 N5 O4 -","- C17 H15 N5 O4 -","- C34 H30 N10 O8 -","2","1","","Christer B. Aakeröy; Nate Schultheiss; John Desper; Curtis Moore","Balancing intermolecular hydrogen-bond interactions for the directed assembly of binary 1 : 1 co-crystals","New Journal of Chemistry","2006","30","10","1452","","10.1039/b608267j","","","0.71073","MoKα","","0.0835","0.0506","","","0.1267","0.1485","","","","","","0.96","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7052358","8.2088","0.0007","8.7891","0.0006","15.3371","0.0012","92.767","0.005","105.536","0.004","115.332","0.004","946.59","0.14","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","2-amino-4-(3-pyridyl)-6-methylpyrimidine, Me5-PhCOOH","","- C22 H26 N4 O2 -","- C22 H26 N4 O2 -","- C44 H52 N8 O4 -","2","1","","Christer B. Aakeröy; Nate Schultheiss; John Desper; Curtis Moore","Balancing intermolecular hydrogen-bond interactions for the directed assembly of binary 1 : 1 co-crystals","New Journal of Chemistry","2006","30","10","1452","","10.1039/b608267j","","","0.71073","MoKα","","0.0915","0.0738","","","0.1959","0.21","","","","","","1.325","","","","has coordinates,has disorder","180077","2020-10-21","18:00:00",""
"7052359","8.3089","0.0006","8.9991","0.0007","11.1671","0.0007","85.733","0.004","69.174","0.004","77.699","0.005","762.52","0.1","153","2","153","2","","","","","","","","4","P -1","-P 1","2","","2-amino-4-(3-pyridyl)-6-methylpyrimidine, 4-hydroxybenzoic acid","","- C17 H16 N4 O3 -","- C17 H16 N4 O3 -","- C34 H32 N8 O6 -","2","1","","Christer B. Aakeröy; Nate Schultheiss; John Desper; Curtis Moore","Balancing intermolecular hydrogen-bond interactions for the directed assembly of binary 1 : 1 co-crystals","New Journal of Chemistry","2006","30","10","1452","","10.1039/b608267j","","","0.71073","MoKα","","0.1129","0.0863","","","0.2031","0.2161","","","","","","1.161","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7052360","7.8442","0.0012","8.8879","0.0014","14.216","0.002","101.607","0.002","90.83","0.002","106.753","0.002","926.9","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","2-amino-4-(6-methoxy-3-pyridyl)-6-methylpyrimidine, 4-(Me2N)-PhCOOH","","- C20 H23 N5 O3 -","- C20 H23 N5 O3 -","- C40 H46 N10 O6 -","2","1","","Christer B. Aakeröy; Nate Schultheiss; John Desper; Curtis Moore","Balancing intermolecular hydrogen-bond interactions for the directed assembly of binary 1 : 1 co-crystals","New Journal of Chemistry","2006","30","10","1452","","10.1039/b608267j","","","0.71073","MoKα","","0.0563","0.0458","","","0.1234","0.1318","","","","","","1.056","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7052361","33.158","0.004","7.3848","0.0007","14.1634","0.0016","90","","106.439","0.006","90","","3326.4","0.6","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","(2-amino-4-(6-methoxy-3-pyridyl)-6-methylpyrimidine), (2,4-difluorobenzoic acid)","","- C18 H16 F2 N4 O3 -","- C18 H16 F2 N4 O3 -","- C144 H128 F16 N32 O24 -","8","1","","Christer B. Aakeröy; Nate Schultheiss; John Desper; Curtis Moore","Balancing intermolecular hydrogen-bond interactions for the directed assembly of binary 1 : 1 co-crystals","New Journal of Chemistry","2006","30","10","1452","","10.1039/b608267j","","","0.71073","MoKα","","0.1522","0.0558","","","0.1233","0.1514","","","","","","0.876","","","","has coordinates,has disorder","180077","2020-10-21","18:00:00",""
"7052362","5.3534","0.0005","12.6941","0.0012","15.188","0.0014","87.755","0.001","82.921","0.001","87.542","0.002","1022.72","0.17","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","(2-amino-4-(6-methoxy-3-pyridyl)-6-methylpyrimidine), Me5-PhCOOH","","- C23 H28 N4 O3 -","- C23 H28 N4 O3 -","- C46 H56 N8 O6 -","2","1","","Christer B. Aakeröy; Nate Schultheiss; John Desper; Curtis Moore","Balancing intermolecular hydrogen-bond interactions for the directed assembly of binary 1 : 1 co-crystals","New Journal of Chemistry","2006","30","10","1452","","10.1039/b608267j","","","0.71073","MoKα","","0.0711","0.0519","","","0.1352","0.1483","","","","","","1.041","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7052363","7.374","0.011","8.385","0.013","17.56","0.03","93.51","0.1","96.29","0.07","104.5","0.11","1040","3","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","1-(3-methoxy-5-pyridyl)-2-(2-amino-6-methyl-4-pyrimidyl)ethyne, (NO2)2PhCOOH","","- C20 H16 N6 O7 -","- C20 H16 N6 O7 -","- C40 H32 N12 O14 -","2","1","","Christer B. Aakeröy; Nate Schultheiss; John Desper; Curtis Moore","Balancing intermolecular hydrogen-bond interactions for the directed assembly of binary 1 : 1 co-crystals","New Journal of Chemistry","2006","30","10","1452","","10.1039/b608267j","","","0.71073","MoKα","","0.2841","0.1139","","","0.2495","0.3299","","","","","","1.042","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7052364","6.9157","0.0012","6.9405","0.0012","19.854","0.004","87.646","0.003","80.636","0.003","81.138","0.003","928.9","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","[1-(3-OMe-5-pyridyl)-2-(2-amino-4-methyl-6-pyrimidyl)-ethyne], NO2PhCOOH","","- C20 H17 N5 O5 -","- C20 H17 N5 O5 -","- C40 H34 N10 O10 -","2","1","","Christer B. Aakeröy; Nate Schultheiss; John Desper; Curtis Moore","Balancing intermolecular hydrogen-bond interactions for the directed assembly of binary 1 : 1 co-crystals","New Journal of Chemistry","2006","30","10","1452","","10.1039/b608267j","","","0.71073","MoKα","","0.1084","0.0532","","","0.1136","0.1382","","","","","","1.001","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7052365","10.5742","0.0019","14.599","0.003","13.519","0.003","90","","102.453","0.011","90","","2037.9","0.7","153","2","153","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","[1-(3-OMe-5-pyridyl)-2-(2-amino-4-methyl-6-pyrimidyl)-ethyne], 3-Me2N-PhCOOH","","- C22 H23 N5 O3 -","- C22 H23 N5 O3 -","- C88 H92 N20 O12 -","4","1","","Christer B. Aakeröy; Nate Schultheiss; John Desper; Curtis Moore","Balancing intermolecular hydrogen-bond interactions for the directed assembly of binary 1 : 1 co-crystals","New Journal of Chemistry","2006","30","10","1452","","10.1039/b608267j","","","0.71073","MoKα","","0.1809","0.0773","","","0.1753","0.2304","","","","","","1.019","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7052366","11.503","0.0012","12.2691","0.0014","12.5077","0.0014","104.268","0.013","113.245","0.012","92.87","0.012","1550.2","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","Bu4N, cis-Au(tfadt)","","","- C24 H36 Au F6 N3 S4 -","- C24 H36 Au F6 N3 S4 -","- C48 H72 Au2 F12 N6 S8 -","2","1","","Olivier Jeannin; Marc Fourmigué","Perylene salts of unsymmetrical nickel and gold dithiolene complexes with 3 ∶ 2 stoichiometry: conformational polymorphism and strong antiferromagnetic interactions","New Journal of Chemistry","2006","30","12","1774","","10.1039/b608420f","","","0.71073","MoKα","","0.0434","0.0334","","","0.0825","0.0879","","","","","","1.042","","","","has coordinates","180077","2020-10-21","18:00:00",""
"7052367","10.867","0.0013","12.7568","0.0016","13.221","0.0015","111.176","0.013","103.135","0.014","96.571","0.015","1624.9","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","(Perylene)3, [Au(tfadt)2]2","","","- C76 H36 Au2 F12 N4 S8 -","- C76 H36 Au2 F12 N4 S8 -","- C76 H36 Au2 F12 N4 S8 -","1","0.5","","Olivier Jeannin; Marc Fourmigué","Perylene salts of unsymmetrical nickel and gold dithiolene complexes with 3 ∶ 2 stoichiometry: conformational polymorphism and strong antiferromagnetic interactions","New Journal of Chemistry","2006","30","12","1774","","10.1039/b608420f","","","0.71073","MoKα","","0.0399","0.0258","","","0.0473","0.0499","","","","","","0.938","","","","has coordinates","180077","2020-10-21","18:00:00",""
"7052368","10.8853","0.0014","12.6566","0.0014","13.1882","0.0016","113.253","0.013","103.614","0.014","94.149","0.014","1594.4","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","(perylene)1.5,[Ni(tfadt)2]","","","- C38 H18 F6 N2 Ni S4 -","- C38 H18 F6 N2 Ni S4 -","- C76 H36 F12 N4 Ni2 S8 -","2","1","","Olivier Jeannin; Marc Fourmigué","Perylene salts of unsymmetrical nickel and gold dithiolene complexes with 3 ∶ 2 stoichiometry: conformational polymorphism and strong antiferromagnetic interactions","New Journal of Chemistry","2006","30","12","1774","","10.1039/b608420f","","","0.71073","MoKα","","0.1187","0.046","","","0.1111","0.1385","","","","","","0.823","","","","has coordinates","180077","2020-10-21","18:00:00",""
"7052369","25.7658","0.0012","8.0568","0.0005","17.6766","0.0009","90","","117.347","0.004","90","","3259.4","0.3","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","PPh4+, Au(tfadt)2-","","","- C32 H20 Au F6 N2 P S4 -","- C32 H20 Au F6 N2 P S4 -","- C128 H80 Au4 F24 N8 P4 S16 -","4","0.5","","Olivier Jeannin; Marc Fourmigué","Perylene salts of unsymmetrical nickel and gold dithiolene complexes with 3 ∶ 2 stoichiometry: conformational polymorphism and strong antiferromagnetic interactions","New Journal of Chemistry","2006","30","12","1774","","10.1039/b608420f","","","0.71073","MoKα","","0.064","0.0397","","","0.1022","0.1187","","","","","","1.148","","","","has coordinates","180077","2020-10-21","18:00:00",""
"7052370","11.155","0.0013","11.7052","0.0013","13.5301","0.0015","73.117","0.013","78.734","0.014","67.536","0.013","1555.1","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","TBA, Au(tfadt)2","","","- C24 H36 Au F6 N3 S4 -","- C24 H36 Au F6 N3 S4 -","- C48 H72 Au2 F12 N6 S8 -","2","1","","Olivier Jeannin; Marc Fourmigué","Perylene salts of unsymmetrical nickel and gold dithiolene complexes with 3 ∶ 2 stoichiometry: conformational polymorphism and strong antiferromagnetic interactions","New Journal of Chemistry","2006","30","12","1774","","10.1039/b608420f","","","0.71073","MoKα","","0.0606","0.0385","","","0.0847","0.0946","","","","","","1.042","","","","has coordinates","180077","2020-10-21","18:00:00",""
"7052371","3.973","0.003","10.96","0.007","36.13","0.02","90","","91.289","0.01","90","","1572.8","1.8","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H12 O2 S2 -","- C22 H12 O2 S2 -","- C88 H48 O8 S8 -","4","1","","Gautrot, Julien E.; Hodge, Philip; Cupertino, Domenico; Helliwell, Madeleine","Experimental evidence for carbonyl?? electron cloud interactions","New Journal of Chemistry","2006","30","12","1801","","10.1039/b608628d","","","0.71073","MoKα","","0.0605","0.0425","","","0.0983","0.1048","","","","","","1.036","","","","has coordinates,has disorder","180077","2020-10-21","18:00:00",""
"7052372","5.876","0.0007","9.9959","0.0012","17.79","0.002","102.163","0.002","91.168","0.002","103.455","0.002","990.8","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H14 Br2 O2 -","- C26 H14 Br2 O2 -","- C52 H28 Br4 O4 -","2","1","","Gautrot, Julien E.; Hodge, Philip; Cupertino, Domenico; Helliwell, Madeleine","Experimental evidence for carbonyl?? electron cloud interactions","New Journal of Chemistry","2006","30","12","1801","","10.1039/b608628d","","","0.71073","MoKα","","0.0546","0.0382","","","0.0834","0.0906","","","","","","1.016","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7052373","24.531","0.005","11.147","0.005","17.686","0.005","90","","133.306","0.005","90","","3519","2","150","","150","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C28 H24 Cl2 Fe N6 O8 -","- C28 H24 Cl2 Fe N6 O8 -","- C112 H96 Cl8 Fe4 N24 O32 -","4","0.5","","Genre, Caroline; Matouzenko, Galina S.; Jeanneau, Erwann; Luneau, Dominique","A spin-crossover iron(ii) coordination polymer with the 8-aminoquinoline ligand: synthesis, crystal structure and magnetic properties of [Fe(aqin)2(4,4?-bpy)](ClO4)2?2EtOH (aqin = 8-aminoquinoline, 4,4?-bpy = 4,4?-bipyridyl)","New Journal of Chemistry","2006","30","11","1669","","10.1039/b608679a","","","0.71069","MoKα","","0.1995","0.1275","","0.2011","0.1364","0.1364","","","","","","1.1034","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7052374","25.192","0.005","11.485","0.005","18.005","0.005","90","","133.652","0.005","90","","3769","2","293","","293","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C28 H24 Cl2 Fe N6 O8 -","- C28 H24 Cl2 Fe N6 O8 -","- C112 H96 Cl8 Fe4 N24 O32 -","4","0.5","","Genre, Caroline; Matouzenko, Galina S.; Jeanneau, Erwann; Luneau, Dominique","A spin-crossover iron(ii) coordination polymer with the 8-aminoquinoline ligand: synthesis, crystal structure and magnetic properties of [Fe(aqin)2(4,4?-bpy)](ClO4)2?2EtOH (aqin = 8-aminoquinoline, 4,4?-bpy = 4,4?-bipyridyl)","New Journal of Chemistry","2006","30","11","1669","","10.1039/b608679a","","","0.71069","MoKα","","0.2454","0.1307","","0.3139","0.1438","0.1438","","","","","","1.1309","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7052375","7.232","0.0014","9.89","0.002","24.259","0.005","90","","90","","90","","1735.1","0.6","253","2","253","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H20 Fe N2 -","- C21 H20 Fe N2 -","- C84 H80 Fe4 N8 -","4","1","","Lo, Kenneth Kam-Wing; Lau, Jason Shing-Yip; Zhu, Nianyong","Synthesis, crystal structures, electrochemical and protein-binding properties of ferrocene?indole conjugates","New Journal of Chemistry","2006","30","11","1567","","10.1039/b609052d","","","0.71069","MoKα","","0.0351","0.0261","","","0.0534","0.055","","","","","","0.875","","","","has coordinates","180077","2020-10-21","18:00:00",""
"7052376","6.907","0.0014","13.826","0.003","17.936","0.004","90","","91.36","0.03","90","","1712.3","0.6","253","2","253","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H22 Fe N2 -","- C21 H22 Fe N2 -","- C84 H88 Fe4 N8 -","4","1","","Lo, Kenneth Kam-Wing; Lau, Jason Shing-Yip; Zhu, Nianyong","Synthesis, crystal structures, electrochemical and protein-binding properties of ferrocene?indole conjugates","New Journal of Chemistry","2006","30","11","1567","","10.1039/b609052d","","","0.71073","MoKα","","0.0393","0.0284","","","0.085","0.0874","","","","","","1.046","","","","has coordinates","180077","2020-10-21","18:00:00",""
"7052377","9.4753","0.001","12.7836","0.0013","15.653","0.002","73.346","0.002","81.158","0.002","86.034","0.002","1794.3","0.3","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H22 N2 O2 S3 -","- C16 H22 N2 O2 S3 -","- C64 H88 N8 O8 S12 -","4","2","","Mark W. Glenny; Marie Lacombe; Jason B. Love; Alexander J. Blake; Leonard F. Lindoy; Robert C. Luckay; Karsten Gloe; Bianca Antonioli; Claire Wilson; Martin Schröder","Design and synthesis of heteroditopic aza-thioether macrocycles for metal extraction","New Journal of Chemistry","2006","30","12","1755","","10.1039/b609180f","","","0.71073","MoKα","","0.131","0.0542","","","0.0878","0.105","","","","","","0.817","","","","has coordinates","180077","2020-10-21","18:00:00",""
"7052378","13.45","0.003","7.195","0.002","20.096","0.004","90","","106.53","0.03","90","","1864.4","0.8","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H22 N2 O S4 -","- C16 H22 N2 O S4 -","- C64 H88 N8 O4 S16 -","4","1","","Mark W. Glenny; Marie Lacombe; Jason B. Love; Alexander J. Blake; Leonard F. Lindoy; Robert C. Luckay; Karsten Gloe; Bianca Antonioli; Claire Wilson; Martin Schröder","Design and synthesis of heteroditopic aza-thioether macrocycles for metal extraction","New Journal of Chemistry","2006","30","12","1755","","10.1039/b609180f","","","0.71073","MoKα","","0.0469","0.0364","","","0.0781","0.0878","","","","","","1.137","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7052379","5.4621","0.0004","19.624","0.0014","16.0384","0.0012","90","","91.023","0.002","90","","1718.9","0.2","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H22 N2 O3 S2 -","- C16 H22 N2 O3 S2 -","- C64 H88 N8 O12 S8 -","4","1","","Mark W. Glenny; Marie Lacombe; Jason B. Love; Alexander J. Blake; Leonard F. Lindoy; Robert C. Luckay; Karsten Gloe; Bianca Antonioli; Claire Wilson; Martin Schröder","Design and synthesis of heteroditopic aza-thioether macrocycles for metal extraction","New Journal of Chemistry","2006","30","12","1755","","10.1039/b609180f","","","0.71073","MoKα","","0.0553","0.0355","","","0.0794","0.0851","","","","","","1.037","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7052380","12.5943","0.0008","14.8366","0.001","10.1311","0.0007","90","","99.462","0.001","90","","1867.3","0.2","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H29 N3 O3 S2 -","- C15 H29 N3 O3 S2 -","- C60 H116 N12 O12 S8 -","4","1","","Mark W. Glenny; Marie Lacombe; Jason B. Love; Alexander J. Blake; Leonard F. Lindoy; Robert C. Luckay; Karsten Gloe; Bianca Antonioli; Claire Wilson; Martin Schröder","Design and synthesis of heteroditopic aza-thioether macrocycles for metal extraction","New Journal of Chemistry","2006","30","12","1755","","10.1039/b609180f","","","0.71073","MoKα","","0.0575","0.0371","","","0.0845","0.0906","","","","","","0.929","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7052381","10.308","0.0007","10.3129","0.0007","16.9116","0.0011","88.351","0.001","84.537","0.001","72.061","0.001","1702.6","0.2","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H48 Cl2 N6 O5 S2 -","- C25 H46 Cl2 N6 O5 S2 -","- C50 H92 Cl4 N12 O10 S4 -","2","1","","Mark W. Glenny; Marie Lacombe; Jason B. Love; Alexander J. Blake; Leonard F. Lindoy; Robert C. Luckay; Karsten Gloe; Bianca Antonioli; Claire Wilson; Martin Schröder","Design and synthesis of heteroditopic aza-thioether macrocycles for metal extraction","New Journal of Chemistry","2006","30","12","1755","","10.1039/b609180f","","","0.71073","MoKα","","0.0678","0.0595","","","0.171","0.18","","","","","","1.052","","","","has coordinates,has disorder","180077","2020-10-21","18:00:00",""
"7052382","17.049","0.003","10.189","0.002","17.316","0.003","90","","115.526","0.003","90","","2714.4","0.9","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H36 N4 O2 S3 -","- C26 H36 N4 O2 S3 -","- C104 H144 N16 O8 S12 -","4","1","","Mark W. Glenny; Marie Lacombe; Jason B. Love; Alexander J. Blake; Leonard F. Lindoy; Robert C. Luckay; Karsten Gloe; Bianca Antonioli; Claire Wilson; Martin Schröder","Design and synthesis of heteroditopic aza-thioether macrocycles for metal extraction","New Journal of Chemistry","2006","30","12","1755","","10.1039/b609180f","","","0.71073","MoKα","","0.0502","0.0366","","","0.0956","0.101","","","","","","1.036","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7052383","11.967","0.002","20.985","0.004","7.75","0.002","90","","93.036","0.003","90","","1943.5","0.7","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H28 Ag N3 O4 S3 -","- C14 H28 Ag N3 O4 S3 -","- C56 H112 Ag4 N12 O16 S12 -","4","1","","Mark W. Glenny; Marie Lacombe; Jason B. Love; Alexander J. Blake; Leonard F. Lindoy; Robert C. Luckay; Karsten Gloe; Bianca Antonioli; Claire Wilson; Martin Schröder","Design and synthesis of heteroditopic aza-thioether macrocycles for metal extraction","New Journal of Chemistry","2006","30","12","1755","","10.1039/b609180f","","","0.71073","MoKα","","0.0563","0.0271","","","0.0404","0.0442","","","","","","0.833","","","","has coordinates","180077","2020-10-21","18:00:00",""
"7052384","9.151","0.0002","14.8907","0.0003","17.1566","0.0004","90","","104.576","0.0008","90","","2262.6","0.09","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","tetraethyleneammonium 1-phenyl-1-monocarba-6-iodo-undecaborane","","- C15 H33 B9 I N -","- C15 H33 B9 I N -","- C60 H132 B36 I4 N4 -","4","1","","Sumby, Christopher J.; Carr, Michael J.; Franken, Andreas; Kennedy, John D.; Kilner, Colin A.; Hardie, Michaele J.","Crystal-packing motifs of [Ag4L4]4+ star-burst tetrahedra","New Journal of Chemistry","2006","30","10","1390","","10.1039/b609356f","","","0.71069","MoKα","","0.0356","0.0313","","","0.0809","0.0839","","","","","","1.058","","","","has coordinates","180077","2020-10-21","18:00:00",""
"7052385","19.5276","0.0012","19.5276","0.0012","93.94","0.002","90","","90","","120","","31023","3","150","2","150","2","","","","","","","","7","R 3 c :H","R 3 -2""c","161","","tetrakis[2,7,12-trimethoxy-3,8,13-tris(4-pyridylmethylamino)-10,15- dihydro-5H-tribenzo[a,d,g]cyclononene]-tris(acetonitrile)tetrasilver(I) hexafluorophosphate acetonitrile clathrate hydrate","","- C184 H194 Ag4 F24 N32 O13 P4 -","- C192 H191.94 Ag4 F24.05 N34 O12.99 P4.01 -","- C1152 H1151.64 Ag24 F144.3 N204 O77.94 P24.06 -","6","0.333333","","Sumby, Christopher J.; Carr, Michael J.; Franken, Andreas; Kennedy, John D.; Kilner, Colin A.; Hardie, Michaele J.","Crystal-packing motifs of [Ag4L4]4+ star-burst tetrahedra","New Journal of Chemistry","2006","30","10","1390","","10.1039/b609356f","","","0.71073","MoKα","","0.1293","0.1116","","","0.2859","0.3006","","","","","","1.099","","","","has coordinates","180077","2020-10-21","18:00:00",""
"7052386","20.1481","0.0019","23.478","0.003","30.814","0.003","68.529","0.005","73.259","0.004","65.528","0.004","12185","2","273","2","273","2","","","","","","","","7","P -1","-P 1","2","","tetrakis[2,7,12-trimethoxy-3,8,13-tris(4-pyridylmethylamino)- 10,15-dihydro-5H-tribenzo[a,d,g]cyclononene]-di(acetonitrile) bis(1-phenyl-1-monocarba-6-iodo-undecaborane)tetrasilver(I) 1-phenyl-1-monocarba-6-iodo-undecaborane acetonitrile clathrate","","- C222 H259 Ag4 B36 I4 N37 O12 -","- C222 H259 Ag4 B36 I4 N37 O12 -","- C444 H518 Ag8 B72 I8 N74 O24 -","2","1","","Sumby, Christopher J.; Carr, Michael J.; Franken, Andreas; Kennedy, John D.; Kilner, Colin A.; Hardie, Michaele J.","Crystal-packing motifs of [Ag4L4]4+ star-burst tetrahedra","New Journal of Chemistry","2006","30","10","1390","","10.1039/b609356f","","","0.71073","MoKα","","0.1664","0.0944","","","0.2468","0.304","","","","","","1.088","","","","has coordinates","180077","2020-10-21","18:00:00",""
"7052387","11.117","0.001","18.714","0.001","18.941","0.001","90","","90","","90","","3940.6","0.5","150","0.1","150","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C39 H54 Br2 N2 O P2 -","- C39 H54 Br2 N2 O P2 -","- C156 H216 Br8 N8 O4 P8 -","4","1","","Matthieu Demange; Leila Boubekeur; Audrey Auffrant; Nicolas Mézailles; Louis Ricard; Xavier Le Goff; Pascal Le Floch","A new and convenient approach towards bis(iminophosphoranyl)methane ligands and their dicationic, cationic, anionic and dianionic derivatives","New Journal of Chemistry","2006","30","12","1745","","10.1039/b610049j","","","0.71069","MoKα","","0.0492","0.0342","","","0.0712","0.0758","","","","","","1.038","","","","has coordinates,has disorder","180077","2020-10-21","18:00:00",""
"7052388","11.05","0.001","17.697","0.001","17.839","0.001","90","","97.322","0.001","90","","3460","0.4","150","0.1","150","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C35 H45 Br N2 O P2 -","- C35 H45 Br N2 O P2 -","- C140 H180 Br4 N8 O4 P8 -","4","1","","Matthieu Demange; Leila Boubekeur; Audrey Auffrant; Nicolas Mézailles; Louis Ricard; Xavier Le Goff; Pascal Le Floch","A new and convenient approach towards bis(iminophosphoranyl)methane ligands and their dicationic, cationic, anionic and dianionic derivatives","New Journal of Chemistry","2006","30","12","1745","","10.1039/b610049j","","","0.71069","MoKα","","0.0705","0.0364","","","0.0722","0.0809","","","","","","0.955","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7052389","14.22","0.001","10.278","0.001","20.462","0.001","90","","93.927","0.001","90","","2983.6","0.4","150","0.1","150","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C37 H32 N2 P2 -","- C37 H32 N2 P2 -","- C148 H128 N8 P8 -","4","1","","Matthieu Demange; Leila Boubekeur; Audrey Auffrant; Nicolas Mézailles; Louis Ricard; Xavier Le Goff; Pascal Le Floch","A new and convenient approach towards bis(iminophosphoranyl)methane ligands and their dicationic, cationic, anionic and dianionic derivatives","New Journal of Chemistry","2006","30","12","1745","","10.1039/b610049j","","","0.71069","MoKα","","0.0492","0.0379","","","0.1033","0.1102","","","","","","1.055","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7052390","15.799","0.001","10.945","0.001","20.552","0.001","90","","98.349","0.001","90","","3516.2","0.4","150","0.1","150","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C41 H41 Li N2 O P2 -","- C41 H41 Li N2 O P2 -","- C164 H164 Li4 N8 O4 P8 -","4","1","","Matthieu Demange; Leila Boubekeur; Audrey Auffrant; Nicolas Mézailles; Louis Ricard; Xavier Le Goff; Pascal Le Floch","A new and convenient approach towards bis(iminophosphoranyl)methane ligands and their dicationic, cationic, anionic and dianionic derivatives","New Journal of Chemistry","2006","30","12","1745","","10.1039/b610049j","","","0.71069","MoKα","","0.0796","0.0463","","","0.1207","0.1341","","","","","","1.057","","","","has coordinates","180077","2020-10-21","18:00:00",""
"7052391","18.344","0.001","16.708","0.001","25.57","0.001","90","","106.406","0.001","90","","7517.9","0.7","150","0.1","150","0.1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C74 H94 Li4 N4 O P4 -","- C72 H89 Li4 N4 O0.5 P4 -","- C288 H356 Li16 N16 O2 P16 -","4","2","","Matthieu Demange; Leila Boubekeur; Audrey Auffrant; Nicolas Mézailles; Louis Ricard; Xavier Le Goff; Pascal Le Floch","A new and convenient approach towards bis(iminophosphoranyl)methane ligands and their dicationic, cationic, anionic and dianionic derivatives","New Journal of Chemistry","2006","30","12","1745","","10.1039/b610049j","","","0.71069","MoKα","","0.0504","0.0393","","","0.0975","0.102","","","","","","0.998","","","","has coordinates,has disorder","180077","2020-10-21","18:00:00",""
"7052392","11.2887","0.0009","11.8949","0.0009","11.9433","0.0009","117.911","0.008","98.65","0.009","91.797","0.009","1391.5","0.2","293","2","123","2","","","","","","","","6","P 1","P 1","1","Bis(potassium-(4,7,13,1621,24-Hexaoxa-1,10- diazabicyclo(8.8.8)hexacosane))-nonagermanid - ammonia(1/4)","Bis[potassium-(4,7,13,1621,24-Hexaoxa-1,10-diazabicyclo[8.8.8]hexacosane)]- nonagermanid - ammonia(1/4)","","- C36 H84 Ge5 K2 N8 O12 -","- C36 H84 Ge5 K2 N8 O12 -","- C36 H84 Ge5 K2 N8 O12 -","1","1","","Suchentrunk, Christof; Korber, Nikolaus","Ge52? Zintl anions: synthesis and crystal structures of [K([2.2.2]-crypt)]2Ge5?4NH3 and [Rb([2.2.2]-crypt)]2Ge5?4NH3","New Journal of Chemistry","2006","30","12","1737","","10.1039/b610547e","","","0.71073","MoKα","","0.0501","0.0449","","","0.1181","0.1205","","","","","","1.063","","","","has coordinates","180077","2020-10-21","18:00:00",""
"7052393","11.3169","0.0015","12.3333","0.0015","20.915","0.003","89.183","0.013","83.6","0.02","78.266","0.015","2840.3","0.7","123","2","123","2","","","","","","","","6","P -1","-P 1","2","Bis(rubidium-(4,7,13,1621,24-Hexaoxa-1,10- diazabicyclo(8.8.8)hexacosane))-nonagermanid - ammonia(1/4)","Bis[rubidium-(4,7,13,1621,24-Hexaoxa-1,10-diazabicyclo[8.8.8]hexacosane)]- nonagermanid - ammonia(1/4)","","- C36 H84 Ge5 N8 O12 Rb2 -","- C36 H84 Ge5 N8 O12 Rb2 -","- C72 H168 Ge10 N16 O24 Rb4 -","2","1","","Suchentrunk, Christof; Korber, Nikolaus","Ge52? Zintl anions: synthesis and crystal structures of [K([2.2.2]-crypt)]2Ge5?4NH3 and [Rb([2.2.2]-crypt)]2Ge5?4NH3","New Journal of Chemistry","2006","30","12","1737","","10.1039/b610547e","","","0.71073","MoKα","","0.0671","0.042","","","0.0946","0.1013","","","","","","0.883","","","","has coordinates","180077","2020-10-21","18:00:00",""
"7052394","6.0136","0.0017","29.216","0.008","7.656","0.002","90","","91.536","0.006","90","","1344.6","0.6","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C34 H22 N8 -","- C34 H22 N8 -","- C68 H44 N16 -","2","0.5","","Frédéric Thébault; Alexander J. Blake; Claire Wilson; Neil R. Champness; Martin Schröder","Synthesis of pyridazinyl ligands for multimetallic complexes","New Journal of Chemistry","2006","30","10","1498","","10.1039/b611561f","","","0.71073","MoKα","","0.1262","0.0458","","","0.1061","0.1466","","","","","","0.888","","","","has coordinates","180077","2020-10-21","18:00:00",""
"7052395","6.2391","0.0004","11.626","0.0008","15.4933","0.0011","93.237","0.001","91.763","0.001","100.927","0.001","1100.7","0.13","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C38 H26 Cl12 N8 -","- C38 H26 Cl12 N8 -","- C38 H26 Cl12 N8 -","1","0.5","","Frédéric Thébault; Alexander J. Blake; Claire Wilson; Neil R. Champness; Martin Schröder","Synthesis of pyridazinyl ligands for multimetallic complexes","New Journal of Chemistry","2006","30","10","1498","","10.1039/b611561f","","","0.6768","synchrotron","","0.0649","0.0582","","","0.1419","0.1454","","","","","","1.057","","","","has coordinates","180077","2020-10-21","18:00:00",""
"7052396","24.367","0.006","5.9124","0.0015","21.707","0.006","90","","112.744","0.004","90","","2884.1","1.3","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C33 H25 Cl3 N8 -","- C33 H25 Cl3 N8 -","- C132 H100 Cl12 N32 -","4","0.5","","Frédéric Thébault; Alexander J. Blake; Claire Wilson; Neil R. Champness; Martin Schröder","Synthesis of pyridazinyl ligands for multimetallic complexes","New Journal of Chemistry","2006","30","10","1498","","10.1039/b611561f","","","0.71073","MoKα","","0.1067","0.0571","","","0.1279","0.1412","","","","","","0.886","","","","has coordinates","194618","2020-10-21","18:00:00",""
"7052397","18.067","0.002","5.501","0.0006","16.801","0.002","90","","102.921","0.002","90","","1627.5","0.3","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H34 N8 O2 S2 -","- C34 H34 N8 O2 S2 -","- C68 H68 N16 O4 S4 -","2","0.5","","Frédéric Thébault; Alexander J. Blake; Claire Wilson; Neil R. Champness; Martin Schröder","Synthesis of pyridazinyl ligands for multimetallic complexes","New Journal of Chemistry","2006","30","10","1498","","10.1039/b611561f","","","0.71073","MoKα","","0.0887","0.0626","","","0.1348","0.1459","","","","","","1.052","","","","has coordinates","180077","2020-10-21","18:00:00",""
"7052398","10.403","0.002","16.763","0.003","17.194","0.003","80.373","0.003","82.56","0.003","82.475","0.003","2912.9","0.9","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C39.75 H37.25 Cl3.75 Cu4 N14 O22.5 -","- C39.75 H37.25 Cl3.75 Cu4 N14 O22.5 -","- C79.5 H74.5 Cl7.5 Cu8 N28 O45 -","2","1","","Frédéric Thébault; Alexander J. Blake; Claire Wilson; Neil R. Champness; Martin Schröder","Synthesis of pyridazinyl ligands for multimetallic complexes","New Journal of Chemistry","2006","30","10","1498","","10.1039/b611561f","","","0.6768","synchrotron","","0.1106","0.0625","","","0.1837","0.213","","","","","","1.035","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7052399","8.43","0.002","10.588","0.003","16.58","0.004","85.393","0.004","81.475","0.004","84.808","0.004","1454.2","0.6","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C41.2 H41.2 Cl3.6 Cu4 N14 O22 -","- C41.2 H41.2 Cl3.6 Cu4 N14 O22 -","- C41.2 H41.2 Cl3.6 Cu4 N14 O22 -","1","0.5","","Frédéric Thébault; Alexander J. Blake; Claire Wilson; Neil R. Champness; Martin Schröder","Synthesis of pyridazinyl ligands for multimetallic complexes","New Journal of Chemistry","2006","30","10","1498","","10.1039/b611561f","","","0.6906","synchrotron","","0.158","0.0842","","","0.214","0.261","","","","","","1.006","","","","has coordinates,has disorder","180077","2020-10-21","18:00:00",""
"7052400","9.4936","0.0019","10.691","0.002","22.746","0.005","85.21","0.03","85.11","0.03","74.06","0.03","2207.4","0.8","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H42 Cd2 N12 O15 -","- C38 H42 Cd2 N12 O15 -","- C76 H84 Cd4 N24 O30 -","2","1","","Frédéric Thébault; Alexander J. Blake; Claire Wilson; Neil R. Champness; Martin Schröder","Synthesis of pyridazinyl ligands for multimetallic complexes","New Journal of Chemistry","2006","30","10","1498","","10.1039/b611561f","","","0.6749","Synchrotron","","0.0428","0.0335","","","0.0807","0.0863","","","","","","1.034","","","","has coordinates,has disorder","180078","2020-10-21","18:00:00",""
"7052401","10.7406","0.0004","21.5613","0.001","16.7294","0.0008","90","","99.066","0.003","90","","3825.8","0.3","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C90 H54 Cd2 N28 O12 -","- C90 H54 Cd2 N28 O12 -","- C180 H108 Cd4 N56 O24 -","2","0.5","","Frédéric Thébault; Alexander J. Blake; Claire Wilson; Neil R. Champness; Martin Schröder","Synthesis of pyridazinyl ligands for multimetallic complexes","New Journal of Chemistry","2006","30","10","1498","","10.1039/b611561f","","","0.71073","MoKα","","0.168","0.0805","","","0.117","0.144","","","","","","1.05","","","","has coordinates","180078","2020-10-21","18:00:00",""
"7053690","7.8542","0.0001","11.982","0.0002","14.1992","0.0003","90.439","0.001","92.745","0.001","101.822","0.001","1306.22","0.04","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C20.5 H18 Cl N O2 S9 -","- C20.5 H18 Cl N O2 S9 -","- C41 H36 Cl2 N2 O4 S18 -","2","1","","Wang, Qiang; Day, Peter; Griffiths, Jon-Paul; Nie, Hui; Wallis, John D.","Synthetic strategies for preparing BEDT-TTF derivatives functionalised with metal ion binding groups","New Journal of Chemistry","2006","30","12","1790","","10.1039/b606715h","","","0.71073","MoKα","","0.0473","0.0377","","","0.0844","0.0884","","","","","","1.024","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7053691","6.249","0.0001","11.0486","0.0003","16.4757","0.0004","82.167","0.002","82.328","0.002","87.627","0.002","1116.51","0.05","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","Tosyloxymethyl-ET","","- C18 H16 O3 S9 -","- C18 H15.351 O3 S9 -","- C36 H30.702 O6 S18 -","2","1","","Wang, Qiang; Day, Peter; Griffiths, Jon-Paul; Nie, Hui; Wallis, John D.","Synthetic strategies for preparing BEDT-TTF derivatives functionalised with metal ion binding groups","New Journal of Chemistry","2006","30","12","1790","","10.1039/b606715h","","","0.71073","MoKα","","0.0467","0.0393","","","0.1073","0.112","","","","","","1.054","","","","has coordinates,has disorder","180090","2020-10-21","18:00:00",""
"7054209","13.236","0.005","13.934","0.005","18.545","0.005","102.109","0.005","90.215","0.005","112.416","0.005","3078.2","1.8","293","2","293","2","","","","","","","","4","P -1","-P 1","2","di-naphtalen-boron-substituted Bodipy","","","- C38 H39 B N2 -","- C38 H39 B N2 -","- C152 H156 B4 N8 -","4","2","","Ulrich, Gilles; Goze, Christine; Goeb, Sébastien; Retailleau, Pascal; Ziessel, Raymond","New fluorescent aryl- or ethynylaryl-boron-substituted indacenes as promising dyes","New Journal of Chemistry","2006","30","7","982","986","10.1039/b604830g","","","0.71069","MoKα","","0.0881","0.0587","","","0.1565","0.1809","","","","","","1.028","","","","has coordinates,has disorder","180096","2020-10-21","18:00:00",""
"7054210","24.3724","0.0009","22.2422","0.0008","23.34","0.001","90","0.002","119.279","0.002","90","0.003","11036.1","0.8","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","para-sulfonatocalix(8)arene / 1,4-hexanediammonium cation complex","","","- C69 H64 N6 O35 S8 -","- C69 H64 N6 O35 S8 -","- C276 H256 N24 O140 S32 -","4","0.5","","Perret, Florent; Bonnard, Vanessa; Danylyuk, Oksana; Suwinska, Kinga; Coleman, Anthony W.","Conformational extremes in the supramolecular assemblies of para-sulfonato-calix[8]arene","New Journal of Chemistry","2006","30","7","987","","10.1039/b604349f","","","0.71073","MoKα","","0.2058","0.1892","","","0.4826","0.4992","","","","","","2.196","","","","has coordinates,has disorder","180096","2020-10-21","18:00:00",""
"7054211","12.5225","0.0001","25.6792","0.0003","14.5478","0.0002","90","0.001","102.421","0.001","90","0.001","4568.61","0.09","100","2","100","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","para-sulfonatocalix(8)arene / 1,2-cis-cyclohexanediammonium cation","","","- C80 H104 N8 O40 S8 -","- C80 H104 N8 O40 S8 -","- C160 H208 N16 O80 S16 -","2","0.5","","Perret, Florent; Bonnard, Vanessa; Danylyuk, Oksana; Suwinska, Kinga; Coleman, Anthony W.","Conformational extremes in the supramolecular assemblies of para-sulfonato-calix[8]arene","New Journal of Chemistry","2006","30","7","987","","10.1039/b604349f","","","0.71073","MoKα","","0.2641","0.235","","","0.6173","0.6225","","","","","","2.689","","","","has coordinates","180096","2020-10-21","18:00:00",""
"7054212","8.7347","0.0007","11.5839","0.0009","14.6847","0.0011","90","","90.829","0.001","90","","1485.7","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H13 Cr N O3 -","- C17 H13 Cr N O3 -","- C68 H52 Cr4 N4 O12 -","4","1","","Che, Yanchao; Tian, Xiaohui; Chen, Hui; Tang, Zhenyu; Lin, Jiaping","Syntheses and third-order NLO properties of ?6 complexes of N-ethylcarbazole with Cr(CO)3 and Cr(CO)2PPh3 moieties","New Journal of Chemistry","2006","30","6","883","","10.1039/b518346d","","","0.71073","MoKα","","0.0469","0.0402","","","0.1098","0.1141","","","","","","1.021","","","","has coordinates","180096","2020-10-21","18:00:00",""
"7054213","10.0091","0.0009","10.7369","0.001","14.6282","0.0014","90.88","0.002","90.925","0.002","101.742","0.002","1538.7","0.2","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C35 H30 Cl2 Cr N O2 P -","- C35 H30 Cl2 Cr N O2 P -","- C70 H60 Cl4 Cr2 N2 O4 P2 -","2","1","","Che, Yanchao; Tian, Xiaohui; Chen, Hui; Tang, Zhenyu; Lin, Jiaping","Syntheses and third-order NLO properties of ?6 complexes of N-ethylcarbazole with Cr(CO)3 and Cr(CO)2PPh3 moieties","New Journal of Chemistry","2006","30","6","883","","10.1039/b518346d","","","0.71073","MoKα","","0.0851","0.0699","","","0.2109","0.2249","","","","","","1.112","","","","has coordinates","180096","2020-10-21","18:00:00",""
"7100747","10.99","0.004","18.366","0.009","15.123","0.004","90","","96.53","0.02","90","","3033","2","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H17 N3 O -","- C18 H17 N3 O -","- C144 H136 N24 O8 -","8","2","","Evans, Louise S.; Gale, Philip A.; Light, Mark E.; Quesada, Roberto","Pyrrolylamidourea based anion receptors","New Journal of Chemistry","2006","30","7","1019","","10.1039/b603223k","","","0.71073","MoKα","","0.233","0.0685","","","0.1249","0.1765","","","","","","0.941","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7100748","22.9059","0.0019","8.5806","0.0007","40.738","0.003","90","","93.308","0.002","90","","7993.6","1.1","120","2","120","2","","","","","","","Roberto Quesada","5","P 1 2/c 1","-P 2yc","13","","","","- C41 H56 N6 O3 S -","- C41 H56 N6 O3 S -","- C328 H448 N48 O24 S8 -","8","2","","Evans, Louise S.; Gale, Philip A.; Light, Mark E.; Quesada, Roberto","Pyrrolylamidourea based anion receptors","New Journal of Chemistry","2006","30","7","1019","","10.1039/b603223k","","","0.6814","synchrotron","","0.1344","0.0901","","","0.2368","0.2735","","","","","","1.042","","","","has coordinates,has disorder","180109","2020-10-21","18:00:00",""
"7100749","18.021","0.0004","8.0777","0.0002","16.7769","0.0004","90","","115.523","0.001","90","","2203.86","0.09","120","2","120","2","","","","","","","Roberto Quesada","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H21 N5 O4 -","- C25 H21 N5 O4 -","- C100 H84 N20 O16 -","4","1","","Evans, Louise S.; Gale, Philip A.; Light, Mark E.; Quesada, Roberto","Pyrrolylamidourea based anion receptors","New Journal of Chemistry","2006","30","7","1019","","10.1039/b603223k","","","0.71073","MoKα","","0.0834","0.0548","","","0.1218","0.1352","","","","","","1.04","","","","has coordinates","202017","2020-10-21","18:00:00",""