# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2026-02-08T17:50:55+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 = 32 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
"7051759","21.256","0.005","23.536","0.006","31.09","0.008","83.291","0.004","71.885","0.004","78.756","0.004","14473","6","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","","","- C476 H492 O149 P14 S24 Yb2.33 -","- C476 H386 O149 P14 S24 Yb2.34 -","- C476 H386 O149 P14 S24 Yb2.34 -","1","0.5","","Makha, Mohamed; Alias, Yatimah; Raston, Colin L.; Sobolev, Alexandre N.","Nanoporous materials based on heteroleptic bilayers built up from bisphosphonium, p-sulfonatocalix[4]arene ions","New Journal of Chemistry","2008","32","1","83","","10.1039/b706640f","","","0.71073","MoKα","","0.4015","0.2119","","","0.4676","0.5533","","","","","","1.118","","","","has coordinates,has disorder","180071","2020-10-21","18:00:00",""
"7051760","15.57","0.002","21.425","0.003","22.794","0.004","75.66","0.02","84.2","0.01","77.09","0.01","7172","2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C100 H154 Er2 O70 P2 S8 -","- C100 H70 Er2 O70.01 P2 S8 -","- C200 H140 Er4 O140.02 P4 S16 -","2","1","","Makha, Mohamed; Alias, Yatimah; Raston, Colin L.; Sobolev, Alexandre N.","Nanoporous materials based on heteroleptic bilayers built up from bisphosphonium, p-sulfonatocalix[4]arene ions","New Journal of Chemistry","2008","32","1","83","","10.1039/b706640f","","","0.71073","MoKα","","0.2145","0.1508","","","0.3791","0.4061","","","","","","1.034","","","","has coordinates,has disorder","180071","2020-10-21","18:00:00",""
"7051761","14.8462","0.0006","21.114","0.001","33.652","0.001","90","","93.277","0.003","90","","10531.4","0.7","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C116 H114 Na O25.5 P4 S4 -","- C116 H114 Na O25.5 P4 S4 -","- C464 H456 Na4 O102 P16 S16 -","4","1","","Makha, Mohamed; Alias, Yatimah; Raston, Colin L.; Sobolev, Alexandre N.","Nanoporous materials based on heteroleptic bilayers built up from bisphosphonium, p-sulfonatocalix[4]arene ions","New Journal of Chemistry","2008","32","1","83","","10.1039/b706640f","","","0.71073","MoKα","","0.1957","0.1013","","","0.1893","0.2179","","","","","","1.122","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7051762","8.3942","0.0012","15.149","0.002","25.099","0.004","90","","90","","90","","3191.7","0.8","298","2","298","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C15 H16 N4 O Pd S -","- C15 H16 N4 O Pd S -","- C120 H128 N32 O8 Pd8 S8 -","8","1","","Halder, Sarmistha; Peng, Shie-Ming; Lee, Gene-Hsiang; Chatterjee, Tanmay; Mukherjee, Asama; Dutta, Sushanta; Sanyal, Utpal; Bhattacharya, Samaresh","Synthesis, structure, spectroscopic properties and cytotoxic effect of some thiosemicarbazone complexes of palladium","New Journal of Chemistry","2008","32","1","105","","10.1039/b707448d","","","0.71073","MoKα","","0.0247","0.0219","","","0.0573","0.0595","","","","","","1.076","","","","has coordinates","180071","2020-10-21","18:00:00",""
"7051763","7.5385","0.0004","10.2179","0.0005","16.9756","0.0009","77.025","0.001","80.819","0.001","71.567","0.001","1203.27","0.11","295","2","295","2","","","","","","","","7","P -1","-P 1","2","","","","- C26 H22 N3 O P Pd S -","- C26 H22 N3 O P Pd S -","- C52 H44 N6 O2 P2 Pd2 S2 -","2","1","","Halder, Sarmistha; Peng, Shie-Ming; Lee, Gene-Hsiang; Chatterjee, Tanmay; Mukherjee, Asama; Dutta, Sushanta; Sanyal, Utpal; Bhattacharya, Samaresh","Synthesis, structure, spectroscopic properties and cytotoxic effect of some thiosemicarbazone complexes of palladium","New Journal of Chemistry","2008","32","1","105","","10.1039/b707448d","","","0.71073","MoKα","","0.029","0.026","","","0.0702","0.079","","","","","","1.159","","","","has coordinates","180071","2020-10-21","18:00:00",""
"7051764","9.7001","0.0003","17.1346","0.0005","24.9317","0.0008","86.658","0.001","79.721","0.002","73.943","0.001","3918.1","0.2","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C173 H118 B2 Cl8 Cu6 F8 N24 O11 -","- C173 H104 B2 Cl8 Cu6 F8 N24 O11 -","- C173 H104 B2 Cl8 Cu6 F8 N24 O11 -","1","0.5","","Deiters, Emmanuel; Bulach, Véronique; Wais Hosseini, Mir","Molecular tectonics: ribbon type coordination networks based on porphyrins bearing two pyridine or two pyridine N-oxide units","New Journal of Chemistry","2008","32","1","99","","10.1039/b708352a","","","0.71073","MoKα","","0.1083","0.0741","","","0.2195","0.2464","","","","","","1.071","","","","has coordinates,has disorder","180071","2020-10-21","18:00:00",""
"7051765","8.7394","0.0004","27.7882","0.0016","31.3773","0.0016","90","","90","","90","","7620","0.7","173","2","173","2","","","","","","","","7","P b c m","-P 2c 2b","57","","","","- C85.5 H55 Cd Cl3 Cu2 N14 O6.5 -","- C85.5 H52 Cd Cl3 Cu2 N14 O6.5 -","- C342 H208 Cd4 Cl12 Cu8 N56 O26 -","4","0.5","","Deiters, Emmanuel; Bulach, Véronique; Wais Hosseini, Mir","Molecular tectonics: ribbon type coordination networks based on porphyrins bearing two pyridine or two pyridine N-oxide units","New Journal of Chemistry","2008","32","1","99","","10.1039/b708352a","","","0.71073","MoKα","","0.2138","0.1123","","","0.2858","0.3157","","","","","","1.566","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7051766","9.4956","0.0004","14.4774","0.0006","16.5058","0.0006","82.058","0.002","79.919","0.002","74.55","0.002","2143.27","0.15","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C88 H60 Br2 Cd Cl12 N12 -","- C88 H60 Br2 Cd Cl12 N12 -","- C88 H60 Br2 Cd Cl12 N12 -","1","0.5","","Deiters, Emmanuel; Bulach, Véronique; Wais Hosseini, Mir","Molecular tectonics: ribbon type coordination networks based on porphyrins bearing two pyridine or two pyridine N-oxide units","New Journal of Chemistry","2008","32","1","99","","10.1039/b708352a","","","0.71073","MoKα","","0.0614","0.05","","","0.1565","0.1648","","","","","","1.234","","","","has coordinates","180071","2020-10-21","18:00:00",""
"7051767","8.1872","0.0003","14.4491","0.0005","16.8506","0.0005","80.749","0.001","78.467","0.001","75.415","0.001","1877.34","0.11","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C84 H58 Br4 Cu4 N12 O7 -","- C84 H52 Br4 Cu4 N12 O7 -","- C84 H52 Br4 Cu4 N12 O7 -","1","0.5","","Deiters, Emmanuel; Bulach, Véronique; Wais Hosseini, Mir","Molecular tectonics: ribbon type coordination networks based on porphyrins bearing two pyridine or two pyridine N-oxide units","New Journal of Chemistry","2008","32","1","99","","10.1039/b708352a","","","0.71073","MoKα","","0.1111","0.0795","","","0.2533","0.2797","","","","","","1.024","","","","has coordinates","180071","2020-10-21","18:00:00",""
"7051768","25.6147","0.0016","10.1935","0.0006","36.361","0.002","90","","105.085","0.004","90","","9166.8","1","150","2","150","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C34 H44 F12 N12 O2 P2 Ru -","- C34 H44 F12 N12 O2 P2 Ru -","- C272 H352 F96 N96 O16 P16 Ru8 -","8","1","","Wei, Qiao-Hua; Argent, Stephen P.; Adams, Harry; Ward, Michael D.","Post-coordination functionalisation of pyrazolyl-based ligands as a route to polynuclear complexes based on an inert RuIIN6 core","New Journal of Chemistry","2008","32","1","73","","10.1039/b708572a","","","0.71073","MoKα","","0.091","0.0553","","","0.129","0.1475","","","","","","1.012","","","","has coordinates,has disorder","180071","2020-10-21","18:00:00",""
"7051769","16.7252","0.0005","16.7252","0.0005","16.1385","0.001","90","","90","","90","","4514.5","0.3","150","2","150","2","","","","","","","","5","I -4","I -4","82","","","","- C86 H78 N24 O10 Ru -","- C86 H70 N22 O4 Ru -","- C172 H140 N44 O8 Ru2 -","2","0.25","","Wei, Qiao-Hua; Argent, Stephen P.; Adams, Harry; Ward, Michael D.","Post-coordination functionalisation of pyrazolyl-based ligands as a route to polynuclear complexes based on an inert RuIIN6 core","New Journal of Chemistry","2008","32","1","73","","10.1039/b708572a","","","0.71073","MoKα","","0.0616","0.0582","","","0.1496","0.1532","","","","","","1.072","","","","has coordinates","180071","2020-10-21","18:00:00",""
"7051770","27.3364","0.0011","15.9057","0.0006","24.5589","0.0009","90","","90","","90","","10678.3","0.7","100","2","100","2","","","","","","","","6","P n n a","-P 2a 2bc","52","","","","- C116 H84 F12 N22 P2 Ru -","- C116 H84 F12 N22 P2 Ru -","- C464 H336 F48 N88 P8 Ru4 -","4","0.5","","Wei, Qiao-Hua; Argent, Stephen P.; Adams, Harry; Ward, Michael D.","Post-coordination functionalisation of pyrazolyl-based ligands as a route to polynuclear complexes based on an inert RuIIN6 core","New Journal of Chemistry","2008","32","1","73","","10.1039/b708572a","","","0.71073","MoKα","","0.0742","0.0599","","","0.1722","0.1837","","","","","","1.052","","","","has coordinates","301851","2025-08-21","20:32:39",""
"7051771","30.736","0.004","14.284","0.002","21.992","0.003","90","","98.756","0.009","90","","9543","2","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C92 H84 Ag2 Cl4 N24 O19 Ru -","- C92 H84 Ag2 Cl4 N24 O19 Ru -","- C368 H336 Ag8 Cl16 N96 O76 Ru4 -","4","0.5","","Wei, Qiao-Hua; Argent, Stephen P.; Adams, Harry; Ward, Michael D.","Post-coordination functionalisation of pyrazolyl-based ligands as a route to polynuclear complexes based on an inert RuIIN6 core","New Journal of Chemistry","2008","32","1","73","","10.1039/b708572a","","","0.71073","MoKα","","0.1044","0.0675","","","0.1748","0.1943","","","","","","1.068","","","","has coordinates","180071","2020-10-21","18:00:00",""
"7051772","16.1145","0.0008","43.921","0.002","24.9915","0.0012","90","","96.158","0.003","90","","17586","1.5","150","2","150","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C120 H107 B4 Cu4 F52 N26 O6.5 Ru Sb6 -","- C120 H93 B4 Cu4 F52 N26 O6.5 Ru Sb6 -","- C480 H372 B16 Cu16 F208 N104 O26 Ru4 Sb24 -","4","1","","Wei, Qiao-Hua; Argent, Stephen P.; Adams, Harry; Ward, Michael D.","Post-coordination functionalisation of pyrazolyl-based ligands as a route to polynuclear complexes based on an inert RuIIN6 core","New Journal of Chemistry","2008","32","1","73","","10.1039/b708572a","","","0.71073","MoKα","","0.2086","0.1281","","","0.354","0.3847","","","","","","1.249","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7051773","7.6014","0.0008","12.5366","0.0013","13.234","0.0014","114.368","0.002","91.703","0.002","106.36","0.002","1086.8","0.2","110","2","110","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H27 F2 I N O -","- C24 H27 F2 I N O -","- C48 H54 F4 I2 N2 O2 -","2","1","","Bruce, Duncan W.; Metrangolo, Pierangelo; Meyer, Franck; Präsang, Carsten; Resnati, Giuseppe; Terraneo, Giancarlo; Whitwood, Adrian C.","Mesogenic, trimeric, halogen-bonded complexes from alkoxystilbazoles and 1,4-diiodotetrafluorobenzene","New Journal of Chemistry","2008","32","3","477","","10.1039/b709107a","","","0.71073","MoKα","","0.0276","0.0237","","","0.0557","0.057","","","","","","1.056","","","","has coordinates","301851","2025-08-21","20:32:39",""
"7051774","7.6549","0.0007","12.1014","0.0012","13.0598","0.0013","109.606","0.002","92.273","0.002","107.571","0.002","1073.01","0.18","110","2","110","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H27 Br F2 N O -","- C24 H27 Br F2 N O -","- C48 H54 Br2 F4 N2 O2 -","2","1","","Bruce, Duncan W.; Metrangolo, Pierangelo; Meyer, Franck; Präsang, Carsten; Resnati, Giuseppe; Terraneo, Giancarlo; Whitwood, Adrian C.","Mesogenic, trimeric, halogen-bonded complexes from alkoxystilbazoles and 1,4-diiodotetrafluorobenzene","New Journal of Chemistry","2008","32","3","477","","10.1039/b709107a","","","0.71073","MoKα","","0.0346","0.0305","","","0.0762","0.0778","","","","","","1.072","","","","has coordinates","301851","2025-08-21","20:32:39",""
"7051775","16.5047","0.0007","16.5047","0.0007","10.2363","0.0009","90","","90","","120","","2414.8","0.3","193","2","193","2","","","","","","","Pentane","3","R 3 :H","R 3","146","Tris(2,6-diisopropylphenyl)phosphine","Tris(2,6-diisopropylphenyl)phosphane","","- C36 H51 P -","- C36 H51 P -","- C108 H153 P3 -","3","0.333333","","Boeré, René T.; Bond, Alan M.; Cronin, Steve; Duffy, Noel W.; Hazendonk, Paul; Masuda, Jason D.; Pollard, Kyle; Roemmele, Tracey L.; Tran, Peter; Zhang, Yuankui","Photophysical, dynamic and redox behavior of tris(2,6-diisopropylphenyl)phosphine","New Journal of Chemistry","2008","32","2","214","","10.1039/b709602j","","x-ray","0.71073","MoKα","","0.0294","0.0294","","","0.0841","0.0841","","","","","","1.153","","","","has coordinates","301851","2025-08-21","20:32:39",""
"7051776","6.996","0.0004","10.257","0.0008","17.878","0.0015","73.592","0.003","84.539","0.005","80.636","0.004","1212.6","0.16","150","1","150","1","","","","","","","synthesized by the authors","8","P -1","-P 1","2","","","","- C19 H31 Br Cu F6 N5 O2 P -","- C19 H31 Br Cu F6 N5 O2 P -","- C38 H62 Br2 Cu2 F12 N10 O4 P2 -","2","1","","Plutnar, Jan; Havlíčková, Jana; Kotek, Jan; Hermann, Petr; Lukeš, Ivan","Unsymmetrically substituted side-bridged cyclam derivatives and their Cu(ii) and Zn(ii) complexes","New Journal of Chemistry","2008","32","3","496","","10.1039/b709747f","","","0.71073","MoKα","","0.2134","0.1759","","","0.4889","0.5043","","","","","","1.973","","","","has coordinates","180071","2020-10-21","18:00:00",""
"7051777","19.4788","0.0004","19.7272","0.0004","13.7214","0.0003","90","","97.716","0.0011","90","","5224.88","0.19","150","1","150","1","","","","","","","synthesized by the authors","5","C 1 2/c 1","-C 2yc","15","","","","- C21 H39 Br N5 O6.5 -","- C21 H34 Br N5 O6.5 -","- C168 H272 Br8 N40 O52 -","8","1","","Plutnar, Jan; Havlíčková, Jana; Kotek, Jan; Hermann, Petr; Lukeš, Ivan","Unsymmetrically substituted side-bridged cyclam derivatives and their Cu(ii) and Zn(ii) complexes","New Journal of Chemistry","2008","32","3","496","","10.1039/b709747f","","","0.71073","MoKα","","0.0736","0.059","","","0.168","0.1828","","","","","","1.045","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7051778","8.8759","0.0008","12.7053","0.0012","16.6618","0.0015","90","","103.925","0.002","90","","1823.7","0.3","150","1","150","1","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C32 H18 N4 O14 -","- C32 H18 N4 O14 -","- C64 H36 N8 O28 -","2","0.5","","Sobransingh, David; Dewal, Mahender B.; Hiller, Jacob; Smith, Mark D.; Shimizu, Linda S.","Inclusion of electrochemically active guests by novel oxacalixarene hosts","New Journal of Chemistry","2008","32","1","24","","10.1039/b709806e","","","0.71073","MoKα","","0.0648","0.048","","","0.1206","0.1269","","","","","","1.032","","","","has coordinates","301851","2025-08-21","20:32:39",""
"7051779","12.1115","0.0004","14.0678","0.0004","17.4915","0.0005","79.918","0.001","86.453","0.001","74.77","0.001","2830.77","0.15","150","1","150","1","","","","","","","","4","P -1","-P 1","2","","","","- C38 H24 N4 O12 -","- C38 H24 N4 O12 -","- C114 H72 N12 O36 -","3","1.5","","Sobransingh, David; Dewal, Mahender B.; Hiller, Jacob; Smith, Mark D.; Shimizu, Linda S.","Inclusion of electrochemically active guests by novel oxacalixarene hosts","New Journal of Chemistry","2008","32","1","24","","10.1039/b709806e","","","0.71073","MoKα","","0.053","0.0377","","","0.0782","0.0827","","","","","","0.911","","","","has coordinates","301851","2025-08-21","20:32:39",""
"7051780","12.7604","0.0012","9.7885","0.0009","13.9233","0.0013","90","","101.8","0.002","90","","1702.3","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","tris(4,5-dimethylthiazol-2-yl)phosphine","tris(4,5-dimethylthiazol-2-yl)phosphane","","- C15 H18 N3 P S3 -","- C15 H18 N3 P S3 -","- C60 H72 N12 P4 S12 -","4","1","","Strasser, Christoph E.; Gabrielli, William F.; Esterhuysen, Catharine; Schuster, Oliver B.; Nogai, Stefan D.; Cronje, Stephanie; Raubenheimer, Helgard G.","Preparation of tris(azolyl)phosphine gold(i) complexes: digold(i) coordination and variation in solid state intermolecular interactions","New Journal of Chemistry","2008","32","1","138","","10.1039/b709896k","","","0.71073","MoKα","","0.032","0.0296","","","0.0766","0.0783","","","","","","1.076","","","","has coordinates","301851","2025-08-21","20:32:39",""
"7051781","7.765","0.002","18.867","0.005","11.069","0.003","90","","90.54","0.004","90","","1621.6","0.7","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","tris(1-methylimidazol-2-yl)phosphinegold(I) chloride","chloridotris(1-methylimidazol-2-yl)phosphanegold(I)","","- C12 H15 Au Cl N6 P -","- C12 H15 Au Cl N6 P -","- C48 H60 Au4 Cl4 N24 P4 -","4","1","","Strasser, Christoph E.; Gabrielli, William F.; Esterhuysen, Catharine; Schuster, Oliver B.; Nogai, Stefan D.; Cronje, Stephanie; Raubenheimer, Helgard G.","Preparation of tris(azolyl)phosphine gold(i) complexes: digold(i) coordination and variation in solid state intermolecular interactions","New Journal of Chemistry","2008","32","1","138","","10.1039/b709896k","","","0.71073","MoKα","","0.0412","0.0308","","","0.0657","0.0699","","","","","","1.042","","","","has coordinates,has disorder","180071","2020-10-21","18:00:00",""
"7051782","10.3829","0.0001","16.2935","0.0001","17.2073","0.0002","90","","92.3216","0.0004","90","","2908.63","0.05","203","2","203","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","tris(thiazol-2-yl)phosphanegold(I) chloride","chlorido[tris(thiazol-2-yl)phosphane]gold(I)","","- C9 H6 Au Cl N3 P S3 -","- C9 H6 Au Cl N3 P S3 -","- C72 H48 Au8 Cl8 N24 P8 S24 -","8","2","","Strasser, Christoph E.; Gabrielli, William F.; Esterhuysen, Catharine; Schuster, Oliver B.; Nogai, Stefan D.; Cronje, Stephanie; Raubenheimer, Helgard G.","Preparation of tris(azolyl)phosphine gold(i) complexes: digold(i) coordination and variation in solid state intermolecular interactions","New Journal of Chemistry","2008","32","1","138","","10.1039/b709896k","","","0.71073","MoKα","","0.0272","0.0207","","","0.0422","0.0439","","","","","","1.033","","","","has coordinates","180071","2020-10-21","18:00:00",""
"7051783","8.0705","0.0004","8.6077","0.0004","10.5184","0.0005","72.425","0.001","84.882","0.001","75.129","0.001","673.2","0.06","100","2","100","2","","","","","","","","7","P -1","-P 1","2","tris(thiazol-2-yl)phosphanegold(I) chloride","chlorido[tris(thiazol-2-yl)phosphane]gold(I)","","- C9 H6 Au Cl N3 P S3 -","- C9 H6 Au Cl N3 P S3 -","- C18 H12 Au2 Cl2 N6 P2 S6 -","2","1","","Strasser, Christoph E.; Gabrielli, William F.; Esterhuysen, Catharine; Schuster, Oliver B.; Nogai, Stefan D.; Cronje, Stephanie; Raubenheimer, Helgard G.","Preparation of tris(azolyl)phosphine gold(i) complexes: digold(i) coordination and variation in solid state intermolecular interactions","New Journal of Chemistry","2008","32","1","138","","10.1039/b709896k","","","0.71073","MoKα","","0.0202","0.0192","","","0.0449","0.0453","","","","","","1.028","","","","has coordinates","180071","2020-10-21","18:00:00",""
"7051784","8.6111","0.0015","8.7006","0.0015","9.5117","0.0017","90.821","0.003","97.446","0.003","106.515","0.003","676.5","0.2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","tris(thiazol-2-yl)phosphanegold(I) chloride","chlorido[tris(thiazol-2-yl)phosphane]gold(I)","","- C9 H6 Au Cl N3 P S3 -","- C9 H6 Au Cl N3 P S3 -","- C18 H12 Au2 Cl2 N6 P2 S6 -","2","1","","Strasser, Christoph E.; Gabrielli, William F.; Esterhuysen, Catharine; Schuster, Oliver B.; Nogai, Stefan D.; Cronje, Stephanie; Raubenheimer, Helgard G.","Preparation of tris(azolyl)phosphine gold(i) complexes: digold(i) coordination and variation in solid state intermolecular interactions","New Journal of Chemistry","2008","32","1","138","","10.1039/b709896k","","","0.71073","MoKα","","0.0195","0.0187","","","0.0439","0.0442","","","","","","1.054","","","","has coordinates","180071","2020-10-21","18:00:00",""
"7051785","7.9518","0.0009","20.261","0.002","19.413","0.002","90","","96.018","0.002","90","","3110.4","0.6","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","tris(thiazol-2-yl)phosphinegold(I) chloride dichloromethane hemisolvate","chlorido[tris(thiazol-2-yl)phosphane]gold(I) dichloromethane hemisolvate","","- C9.5 H7 Au Cl2 N3 P S3 -","- C9.5 H7 Au Cl2 N3 P S3 -","- C76 H56 Au8 Cl16 N24 P8 S24 -","8","2","","Strasser, Christoph E.; Gabrielli, William F.; Esterhuysen, Catharine; Schuster, Oliver B.; Nogai, Stefan D.; Cronje, Stephanie; Raubenheimer, Helgard G.","Preparation of tris(azolyl)phosphine gold(i) complexes: digold(i) coordination and variation in solid state intermolecular interactions","New Journal of Chemistry","2008","32","1","138","","10.1039/b709896k","","","0.71073","MoKα","","0.0739","0.0481","","","0.0833","0.0909","","","","","","0.991","","","","has coordinates","180071","2020-10-21","18:00:00",""
"7051786","23.574","0.002","10.766","0.0009","17.201","0.0015","90","","128.28","0.001","90","","3426.9","0.5","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","tris(4-methylthiazol-2-yl)phosphanegold(I) chloride","chlorido[tris(4-methylthiazol-2-yl)phosphane]gold(I)","","- C12 H12 Au Cl N3 P S3 -","- C12 H12 Au Cl N3 P S3 -","- C96 H96 Au8 Cl8 N24 P8 S24 -","8","1","","Strasser, Christoph E.; Gabrielli, William F.; Esterhuysen, Catharine; Schuster, Oliver B.; Nogai, Stefan D.; Cronje, Stephanie; Raubenheimer, Helgard G.","Preparation of tris(azolyl)phosphine gold(i) complexes: digold(i) coordination and variation in solid state intermolecular interactions","New Journal of Chemistry","2008","32","1","138","","10.1039/b709896k","","","0.71073","MoKα","","0.0225","0.0204","","","0.0473","0.0482","","","","","","1.058","","","","has coordinates","180071","2020-10-21","18:00:00",""
"7051787","19.8224","0.0019","10.333","0.001","17.5435","0.0017","90","","109.95","0.001","90","","3377.7","0.6","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","tris(4-methylthiazol-2-yl)phosphinegold(I) chloride","chloridotris(4-methylthiazol-2-yl)phosphanegold(I)","","- C12 H12 Au Cl N3 P S3 -","- C12 H12 Au Cl N3 P S3 -","- C96 H96 Au8 Cl8 N24 P8 S24 -","8","2","","Strasser, Christoph E.; Gabrielli, William F.; Esterhuysen, Catharine; Schuster, Oliver B.; Nogai, Stefan D.; Cronje, Stephanie; Raubenheimer, Helgard G.","Preparation of tris(azolyl)phosphine gold(i) complexes: digold(i) coordination and variation in solid state intermolecular interactions","New Journal of Chemistry","2008","32","1","138","","10.1039/b709896k","","","0.71073","MoKα","","0.0277","0.0263","","","0.062","0.0626","","","","","","1.17","","","","has coordinates","180071","2020-10-21","18:00:00",""
"7051788","9.0405","0.0009","9.6531","0.001","24.273","0.003","90","","90","","90","","2118.3","0.4","100","2","100","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","tris(4-methylthiazol-2-yl)phosphanegold(I) chloride tetrahydrofuran solvate","chlorido[tris(4-methylthiazol-2-yl)phosphane]gold(I) tetrahydrofuran solvate","","- C16 H20 Au Cl N3 O P S3 -","- C16 H20 Au Cl N3 O P S3 -","- C64 H80 Au4 Cl4 N12 O4 P4 S12 -","4","1","","Strasser, Christoph E.; Gabrielli, William F.; Esterhuysen, Catharine; Schuster, Oliver B.; Nogai, Stefan D.; Cronje, Stephanie; Raubenheimer, Helgard G.","Preparation of tris(azolyl)phosphine gold(i) complexes: digold(i) coordination and variation in solid state intermolecular interactions","New Journal of Chemistry","2008","32","1","138","","10.1039/b709896k","","","0.71073","MoKα","","0.0268","0.0245","","","0.0489","0.0495","","","","","","0.906","","","","has coordinates","180071","2020-10-21","18:00:00",""
"7051789","12.9541","0.0015","11.2941","0.0013","13.3664","0.0015","90","","90","","90","","1955.6","0.4","100","2","100","2","","","","","","","","7","P n a 21","P 2c -2n","33","tris(4,5-dimethylthiazol-2-yl)phosphanegold(I) chloride","chlorido[tris(4,5-dimethylthiazol-2-yl)phosphane]gold(I)","","- C15 H18 Au Cl N3 P S3 -","- C15 H18 Au Cl N3 P S3 -","- C60 H72 Au4 Cl4 N12 P4 S12 -","4","1","","Strasser, Christoph E.; Gabrielli, William F.; Esterhuysen, Catharine; Schuster, Oliver B.; Nogai, Stefan D.; Cronje, Stephanie; Raubenheimer, Helgard G.","Preparation of tris(azolyl)phosphine gold(i) complexes: digold(i) coordination and variation in solid state intermolecular interactions","New Journal of Chemistry","2008","32","1","138","","10.1039/b709896k","","","0.71073","MoKα","","0.0255","0.0237","","","0.0581","0.0591","","","","","","1.046","","","","has coordinates,has disorder","180071","2020-10-21","18:00:00",""
"7051790","10.6209","0.0008","17.6637","0.0014","27.839","0.002","90","","90","","90","","5222.7","0.7","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","tris(4-methylthiazol-2-yl)phosphanegold(I) thiobenzoate hemi hexane solvate","(thiobenzoato)[tris(4-methylthiazol-2-yl)phosphane]gold(I) hemi hexane solvate","","- C22 H24 Au N3 O P S4 -","- C19 H17 Au N3 O P S4 -","- C152 H136 Au8 N24 O8 P8 S32 -","8","1","","Strasser, Christoph E.; Gabrielli, William F.; Esterhuysen, Catharine; Schuster, Oliver B.; Nogai, Stefan D.; Cronje, Stephanie; Raubenheimer, Helgard G.","Preparation of tris(azolyl)phosphine gold(i) complexes: digold(i) coordination and variation in solid state intermolecular interactions","New Journal of Chemistry","2008","32","1","138","","10.1039/b709896k","","","0.71073","MoKα","","0.0531","0.047","","","0.1051","0.1075","","","","","","1.207","","","","has coordinates,has disorder","180071","2020-10-21","18:00:00",""
"7051791","10.2802","0.0015","12.707","0.0018","13.1407","0.0019","81.504","0.002","81.244","0.003","72.231","0.002","1606.3","0.4","100","2","100","2","","","","","","","","7","P -1","-P 1","2","Bis(pentafluorophenyl)-μ-[tris(1-methylimidazolyl)phosphine] digold(I) acetone solvate","Bis(pentafluorophenyl)-μ-[tris(1-methylimidazol-2-yl) phosphane-κP:κN]digold(I) acetone solvate","","- C26.31 H19.62 Au2 F10 N6 O0.77 P -","- C26.31 H19.62 Au2 F10 N6 O0.77 P -","- C52.62 H39.24 Au4 F20 N12 O1.54 P2 -","2","1","","Strasser, Christoph E.; Gabrielli, William F.; Esterhuysen, Catharine; Schuster, Oliver B.; Nogai, Stefan D.; Cronje, Stephanie; Raubenheimer, Helgard G.","Preparation of tris(azolyl)phosphine gold(i) complexes: digold(i) coordination and variation in solid state intermolecular interactions","New Journal of Chemistry","2008","32","1","138","","10.1039/b709896k","","","0.71073","MoKα","","0.0635","0.0447","","","0.1043","0.113","","","","","","0.997","","","","has coordinates","301851","2025-08-21","20:32:39",""
"7051792","12.3247","0.0012","19.123","0.0019","20.242","0.002","101.251","0.002","98.052","0.002","100.106","0.002","4530.8","0.8","100","2","100","2","","","","","","","","8","P -1","-P 1","2","bis(pentafluorophenyl)-μ-[tris(1-methylimidazol-2-yl)phosphine]digold(I) 5/6 deuteriochloroform solvate","bis(pentafluorophenyl)-μ-[tris(1-methylimidazol-2-yl)phosphane-κ^2^P:N] digold(I) 5/6 deuteriotrichloromethane solvate","","- C24.83 H15 Au2 Cl2.5 D0.83 F10 N6 P -","- C24.8333 H15 Au2 Cl2.5 D0.833333 F10 N6 P -","- C149 H90 Au12 Cl15 D5 F60 N36 P6 -","6","3","","Strasser, Christoph E.; Gabrielli, William F.; Esterhuysen, Catharine; Schuster, Oliver B.; Nogai, Stefan D.; Cronje, Stephanie; Raubenheimer, Helgard G.","Preparation of tris(azolyl)phosphine gold(i) complexes: digold(i) coordination and variation in solid state intermolecular interactions","New Journal of Chemistry","2008","32","1","138","","10.1039/b709896k","","","0.71073","MoKα","","0.045","0.0288","","","0.0622","0.0761","","","","","","1.083","","","","has coordinates","180071","2020-10-21","18:00:00",""
"7051793","9.5651","0.0005","10.5104","0.0006","16.2642","0.0009","77.655","0.001","80.68","0.001","74.253","0.001","1527.92","0.15","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C50 H49 N12 Nd2 O27 Zn2 -","- C50 H50 N12 Nd2 O27 Zn2 -","- C50 H50 N12 Nd2 O27 Zn2 -","1","0.5","","Lü, Xingqiang; Bi, Weiyu; Chai, Wenli; Song, Jirong; Meng, Jianxin; Wong, Wai-Yeung; Wong, Wai-Kwok; Jones, Richard A.","Tetranuclear NIR luminescent Schiff-base Zn‒Nd complexes","New Journal of Chemistry","2008","32","1","127","","10.1039/b710204f","","","0.71073","MoKα","","0.0281","0.0256","","","0.068","0.0696","","","","","","1.028","","","","has coordinates","180071","2020-10-21","18:00:00",""
"7051794","9.1671","0.0014","10.4152","0.0016","16.667","0.003","92.882","0.003","100.841","0.003","104.315","0.003","1506.5","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H50 N12 Nd2 O28 Zn2 -","- C48 H46 N12 Nd2 O28 Zn2 -","- C48 H46 N12 Nd2 O28 Zn2 -","1","0.5","","Lü, Xingqiang; Bi, Weiyu; Chai, Wenli; Song, Jirong; Meng, Jianxin; Wong, Wai-Yeung; Wong, Wai-Kwok; Jones, Richard A.","Tetranuclear NIR luminescent Schiff-base Zn‒Nd complexes","New Journal of Chemistry","2008","32","1","127","","10.1039/b710204f","","","0.71073","MoKα","","0.1145","0.0595","","","0.1322","0.16","","","","","","0.948","","","","has coordinates","180071","2020-10-21","18:00:00",""
"7051795","9.523","0.0006","12.0312","0.0007","14.1546","0.0008","73.512","0.001","86.303","0.001","67.543","0.001","1435.36","0.15","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C44 H56 Ag4 Cl4 N4 O16 S6 -","- C44 H56 Ag4 Cl4 N4 O16 S6 -","- C44 H56 Ag4 Cl4 N4 O16 S6 -","1","0.5","","Kim, Hyun Jee; Yoon, Il; Lee, So Young; Choi, Kyu Seong; Lee, Shim Sung","Exo-coordinated discrete and continuous supramolecular silver(i) complexes with thiaoxa-macrocycles","New Journal of Chemistry","2008","32","2","258","","10.1039/b710581a","","","0.71073","MoKα","","0.0296","0.0239","","","0.0547","0.057","","","","","","1.029","","","","has coordinates","180071","2020-10-21","18:00:00",""
"7051796","15.8399","0.001","15.8399","0.001","22.847","0.003","90","","90","","90","","5732.4","0.9","173","2","173","2","","","","","","","","8","P 4/m n c","-P 4 2n","128","","","","- C88 H112 Ag4 Cl8 F24 O8 P4 S12 -","- C88 H112 Ag4 Cl8 F24 O8 P4 S12 -","- C176 H224 Ag8 Cl16 F48 O16 P8 S24 -","2","0.125","","Kim, Hyun Jee; Yoon, Il; Lee, So Young; Choi, Kyu Seong; Lee, Shim Sung","Exo-coordinated discrete and continuous supramolecular silver(i) complexes with thiaoxa-macrocycles","New Journal of Chemistry","2008","32","2","258","","10.1039/b710581a","","","0.71073","MoKα","","0.1902","0.0806","","","0.1821","0.2669","","","","","","1.064","","","","has coordinates","180071","2020-10-21","18:00:00",""
"7051797","8.8853","0.0011","11.1795","0.0014","12.822","0.0016","70.863","0.002","87.579","0.002","71.115","0.002","1135.6","0.2","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H26 Ag N O6 S2 -","- C21 H26 Ag N O6 S2 -","- C42 H52 Ag2 N2 O12 S4 -","2","1","","Kim, Hyun Jee; Yoon, Il; Lee, So Young; Choi, Kyu Seong; Lee, Shim Sung","Exo-coordinated discrete and continuous supramolecular silver(i) complexes with thiaoxa-macrocycles","New Journal of Chemistry","2008","32","2","258","","10.1039/b710581a","","","0.71073","MoKα","","0.0356","0.0287","","","0.0742","0.0786","","","","","","1.037","","","","has coordinates","180071","2020-10-21","18:00:00",""
"7051798","13.2221","0.0009","12.4315","0.0008","25.7337","0.0019","90","","90","","90","","4229.9","0.5","298","2","298","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C21 H26 O2 S3 -","- C21 H26 O2 S3 -","- C168 H208 O16 S24 -","8","2","","Kim, Hyun Jee; Yoon, Il; Lee, So Young; Choi, Kyu Seong; Lee, Shim Sung","Exo-coordinated discrete and continuous supramolecular silver(i) complexes with thiaoxa-macrocycles","New Journal of Chemistry","2008","32","2","258","","10.1039/b710581a","","","0.71073","MoKα","","0.1151","0.0467","","","0.1011","0.1235","","","","","","1.014","","","","has coordinates,has disorder","301851","2025-08-21","20:32:39",""
"7051799","11.8755","0.0007","11.3829","0.0006","15.7149","0.0009","90","","108.787","0.001","90","","2011.1","0.2","173","2","173","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C21 H26 O3 S2 -","- C21 H26 O3 S2 -","- C84 H104 O12 S8 -","4","1","","Kim, Hyun Jee; Yoon, Il; Lee, So Young; Choi, Kyu Seong; Lee, Shim Sung","Exo-coordinated discrete and continuous supramolecular silver(i) complexes with thiaoxa-macrocycles","New Journal of Chemistry","2008","32","2","258","","10.1039/b710581a","","","0.71073","MoKα","","0.044","0.0383","","","0.1235","0.1466","","","","","","1.111","","","","has coordinates","301851","2025-08-21","20:32:39",""
"7051800","14.251","0.006","4.8945","0.0019","28.846","0.011","90","","99.64","0.02","90","","1983.6","1.4","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C46 H50 N6 O4 -","- C46 H50 N6 O4 -","- C92 H100 N12 O8 -","2","0.5","","Wenzel, Marco; Gloe, Kerstin; Gloe, Karsten; Bernhard, Gert; Clegg, Jack K.; Ji, Xue-Kui; Lindoy, Leonard F.","A new 34-membered N6O4-donor macrocycle: synthetic, X-ray and solvent extraction studies","New Journal of Chemistry","2008","32","1","132","","10.1039/b710641f","","","0.71073","MoKα","","0.223","0.0654","","","0.1188","0.1529","","","","","","0.856","","","","has coordinates","301851","2025-08-21","20:32:39",""
"7051801","17.358","0.002","14.1481","0.0014","24.213","0.002","90","","92.636","0.002","90","","5940","1","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","OL2*ZnNO3","bis{4-methyl-2,6-diformylphenolbis-[3,4,5-tri(methoxy)phenylimine]zinc(II) nitrate complex bis-methanol solvate","","- C57 H72 N6 O23 Zn -","- C57 H60 N6 O23 Zn -","- C228 H240 N24 O92 Zn4 -","4","0.5","","Morale, Francesca; Finn, Rachel L.; Collinson, Simon R.; Blake, Alexander J.; Wilson, Claire; Bruce, Duncan W.; Guillon, Daniel; Donnio, Bertrand; Schröder, Martin","Metal-directed columnar phase formation in tetrahedral zinc(ii) and manganese(ii) metallomesogens","New Journal of Chemistry","2008","32","2","297","","10.1039/b710745e","","","0.71073","MoKα","","0.0787","0.0577","","","0.1523","0.1734","","","","","","1.02","","","","has coordinates,has disorder","180072","2020-10-21","18:00:00",""
"7051802","23.568","0.004","12.894","0.002","21.345","0.004","90","","110.065","0.004","90","","6092.7","1.8","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C50 H42 Cd2 Cl4 N10 O20 S4 -","- C46 H34 Cd2 Cl4 N10 O18 S4 -","- C184 H136 Cd8 Cl16 N40 O72 S16 -","4","1","","Bokolinis, Georgios; Riis-Johannessen, T.; Jeffery, John C.; Rice, Craig R.","Synthesis and X-ray structures of cadmium-containing dinuclear double helicates derived from ligands containing N-oxide units","New Journal of Chemistry","2008","32","1","115","","10.1039/b711039a","","","0.71073","MoKα","","0.0853","0.0548","","","0.1615","0.1737","","","","","","0.992","","","","has coordinates,has disorder","180072","2020-10-21","18:00:00",""
"7051803","11.4892","0.0008","13.6419","0.0009","23.7577","0.0016","93.242","0.001","99.983","0.001","97.955","0.001","3619.6","0.4","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C65 H47 Cd2 Cl4 N17 O24 S4 -","- C65 H47 Cd2 Cl4 N17 O24 S4 -","- C130 H94 Cd4 Cl8 N34 O48 S8 -","2","1","","Bokolinis, Georgios; Riis-Johannessen, T.; Jeffery, John C.; Rice, Craig R.","Synthesis and X-ray structures of cadmium-containing dinuclear double helicates derived from ligands containing N-oxide units","New Journal of Chemistry","2008","32","1","115","","10.1039/b711039a","","","0.71073","MoKα","","0.0975","0.0439","","","0.0927","0.1101","","","","","","0.906","","","","has coordinates,has disorder","301851","2025-08-21","20:32:39",""
"7051804","12.0015","0.0009","17.6425","0.0013","4.5555","0.0004","90","","90","","90","","964.57","0.13","90","2","90","2","","","","","","","","4","F d d 2","F 2 -2d","43","DNU","","","- C H2 N4 O5 -","- C H2 N4 O5 -","- C8 H16 N32 O40 -","8","0.5","","Ye, Chengfeng; Gao, Haixiang; Twamley, Brendan; Shreeve, Jean’ne M.","Dense energetic salts of N,N′-dinitrourea (DNU)","New Journal of Chemistry","2008","32","2","317","","10.1039/b712417a","","","0.71073","MoKα","","0.024","0.0236","","","0.0617","0.062","","","","","","1.097","","","","has coordinates","301851","2025-08-21","20:32:39",""
"7051805","7.6156","0.0003","4.9837","0.0002","10.3119","0.0004","90","","95.53","0.001","90","","389.55","0.03","90","2","90","2","","","","","","","","4","P 1 21 1","P 2yb","4","C H N4 O5, C2 H4 N3","","","- C3 H5 N7 O5 -","- C3 H5 N7 O5 -","- C6 H10 N14 O10 -","2","1","","Ye, Chengfeng; Gao, Haixiang; Twamley, Brendan; Shreeve, Jean’ne M.","Dense energetic salts of N,N′-dinitrourea (DNU)","New Journal of Chemistry","2008","32","2","317","","10.1039/b712417a","","","0.71073","MoKα","","0.0266","0.0255","","","0.0655","0.0662","","","","","","1.091","","","","has coordinates","301851","2025-08-21","20:32:39",""
"7051806","10.372","0.01","14.25","0.013","21.168","0.015","106.19","0.08","91.03","0.11","92.06","0.09","3001","5","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H32 B F2 N5 -","- C36 H32 B F2 N5 -","- C144 H128 B4 F8 N20 -","4","2","","Killoran, John; McDonnell, Shane O.; Gallagher, John F.; O’Shea, Donal F.","A substituted BF2-chelated tetraarylazadipyrromethene as an intrinsic dual chemosensor in the 650‒850 nm spectral range","New Journal of Chemistry","2008","32","3","483","","10.1039/b713020a","","","0.71073","MolybdenumKα","","0.4138","0.1541","","","0.3428","0.492","","","","","","1.015","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7051807","10.2169","0.0007","14.0769","0.0008","21.0039","0.0015","105.548","0.002","91.046","0.002","92.138","0.005","2907","0.3","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H32 B F2 N5 -","- C36 H32 B F2 N5 -","- C144 H128 B4 F8 N20 -","4","2","","Killoran, John; McDonnell, Shane O.; Gallagher, John F.; O’Shea, Donal F.","A substituted BF2-chelated tetraarylazadipyrromethene as an intrinsic dual chemosensor in the 650‒850 nm spectral range","New Journal of Chemistry","2008","32","3","483","","10.1039/b713020a","","","0.71073","MolybdenumKα","","0.2827","0.0862","","","0.1415","0.2015","","","","","","0.924","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7051808","11.4268","0.0006","51.0126","0.0019","8.3365","0.0005","90","","91.829","0.007","90","","4857","0.4","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","(BEDT-TTF)2[Cr(ox)2(2,2'-bipy)],CHCl2CH2Cl","","","- C36 H27 Cl3 Cr N2 O8 S16 -","- C36 H27 Cl3 Cr N2 O8 S16 -","- C144 H108 Cl12 Cr4 N8 O32 S64 -","4","1","","Madalan, Augustin M.; Canadell, Enric; Auban-Senzier, Pascale; Brânzea, Diana; Avarvari, Narcis; Andruh, Marius","Conducting mixed-valence salt of bis(ethylenedithio)tetrathiafulvalene (BEDT-TTF) with the paramagnetic heteroleptic anion [CrIII(oxalate)2(2,2′-bipyridine)]−","New Journal of Chemistry","2008","32","2","333","","10.1039/b713030a","","","0.71073","MoKα","","0.1013","0.0656","","","0.1553","0.1757","","","","","","0.998","","","","has coordinates","301851","2025-08-21","20:32:39",""
"7051809","5.3281","0.0002","8.3677","0.0003","28.9434","0.0013","90","","90","","90","","1290.41","0.09","295","","295","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","3-[1-(4-chlorophenyl)ethyl]pentane-2,4-dione","","- C13 H15 Cl O2 -","- C13 H15 Cl O2 -","- C52 H60 Cl4 O8 -","4","1","","Bertolasi, Valerio; Ferretti, Valeria; Gilli, Paola; Yao, Xiaoquan; Li, Chao-Jun","Substituent effects on keto–enol tautomerization of β-diketones from X-ray structural data and DFT calculations","New Journal of Chemistry","2008","32","4","694","","10.1039/b714708b","","","0.71073","MoKα","","0.0995","0.0516","","","0.1183","0.1411","","","","","","1.025","","","","has coordinates","301851","2025-08-21","20:32:39",""
"7051810","15.3369","0.0007","5.5988","0.0002","19.0061","0.0011","90","","109.104","0.002","90","","1542.14","0.13","295","","295","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","2-[1-(4-chlorophenyl)ethyl]-1-phenylbutane-1,3-dione","","- C18 H17 Cl O2 -","- C18 H17 Cl O2 -","- C72 H68 Cl4 O8 -","4","1","","Bertolasi, Valerio; Ferretti, Valeria; Gilli, Paola; Yao, Xiaoquan; Li, Chao-Jun","Substituent effects on keto–enol tautomerization of β-diketones from X-ray structural data and DFT calculations","New Journal of Chemistry","2008","32","4","694","","10.1039/b714708b","","","0.71073","MoKα","","0.1078","0.0493","","","0.1082","0.1328","","","","","","1.012","","","","has coordinates","301851","2025-08-21","20:32:39",""
"7051811","7.1662","0.0002","11.4546","0.0003","38.421","0.0012","90","","90","","90","","3153.82","0.16","295","","295","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2-[1-(2-chlorophenyl)ethyl]-1-phenylbutane-1.3-dione","","- C18 H17 Cl O2 -","- C18 H17 Cl O2 -","- C144 H136 Cl8 O16 -","8","1","","Bertolasi, Valerio; Ferretti, Valeria; Gilli, Paola; Yao, Xiaoquan; Li, Chao-Jun","Substituent effects on keto–enol tautomerization of β-diketones from X-ray structural data and DFT calculations","New Journal of Chemistry","2008","32","4","694","","10.1039/b714708b","","","0.71073","MoKα","","0.1375","0.0514","","","0.0955","0.1243","","","","","","1.034","","","","has coordinates","301851","2025-08-21","20:32:39",""
"7051812","16.998","0.0002","9.9242","0.0003","21.5231","0.0005","90","","90","","90","","3630.77","0.14","295","","295","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","1,3-diphenyl-2-(1-phenylethyl)propane-1,3-dione","","- C23 H20 O2 -","- C23 H20 O2 -","- C184 H160 O16 -","8","1","","Bertolasi, Valerio; Ferretti, Valeria; Gilli, Paola; Yao, Xiaoquan; Li, Chao-Jun","Substituent effects on keto–enol tautomerization of β-diketones from X-ray structural data and DFT calculations","New Journal of Chemistry","2008","32","4","694","","10.1039/b714708b","","","0.71073","MoKα","","0.0776","0.0491","","","0.1184","0.1354","","","","","","1.013","","","","has coordinates","301851","2025-08-21","20:32:39",""
"7051813","11.1539","0.0003","16.3314","0.0006","11.4618","0.0003","90","","114.694","0.001","90","","1896.94","0.1","295","","295","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","2-[1-(2-chlorophenyl)ethyl]-1,3-diphenylpropane-1,3-dione","","- C23 H19 Cl O2 -","- C23 H19 Cl O2 -","- C92 H76 Cl4 O8 -","4","1","","Bertolasi, Valerio; Ferretti, Valeria; Gilli, Paola; Yao, Xiaoquan; Li, Chao-Jun","Substituent effects on keto–enol tautomerization of β-diketones from X-ray structural data and DFT calculations","New Journal of Chemistry","2008","32","4","694","","10.1039/b714708b","","","0.71073","MoKα","","0.0889","0.0509","","","0.1179","0.1396","","","","","","1.015","","","","has coordinates","301851","2025-08-21","20:32:39",""
"7051814","17.0267","0.0004","9.9384","0.0002","22.3568","0.0007","90","","90","","90","","3783.18","0.17","295","","295","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","1,3-diphenyl-1-(1-phenylpropyl)propane-1,3-dione","","- C24 H22 O2 -","- C24 H22 O2 -","- C192 H176 O16 -","8","1","","Bertolasi, Valerio; Ferretti, Valeria; Gilli, Paola; Yao, Xiaoquan; Li, Chao-Jun","Substituent effects on keto–enol tautomerization of β-diketones from X-ray structural data and DFT calculations","New Journal of Chemistry","2008","32","4","694","","10.1039/b714708b","","","0.71073","MoKα","","0.1041","0.049","","","0.1027","0.1249","","","","","","1.004","","","","has coordinates","301851","2025-08-21","20:32:39",""
"7051815","10.162","0.003","10.972","0.003","27.065","0.008","90","","90","","90","","3017.7","1.5","120","2","120","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C29 H44 Cl2 N2 O4 Ti -","- C29 H44 Cl2 N2 O4 Ti -","- C116 H176 Cl8 N8 O16 Ti4 -","4","1","","Zaitsev, Kirill V.; Bermeshev, Maxim V.; Samsonov, Alexey A.; Oprunenko, Juri F.; Churakov, Andrei V.; Howard, Judith A. L.; Karlov, Sergey S.; Zaitseva, Galina S.","Titanium complexes based on chiral enantiopure dialkanolamines: synthesis, structures and catalytic activity","New Journal of Chemistry","2008","32","8","1415","","10.1039/b714739b","","","0.71073","MoKα","","0.0508","0.0453","","","0.1201","0.1234","","","","","","1.06","","","","has coordinates","301851","2025-08-21","20:32:39",""
"7051816","11.096","0.002","12.761","0.002","26.595","0.005","90","","90","","90","","3765.7","1.1","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C42 H50 N2 O4 Ti -","- C42 H50 N2 O4 Ti -","- C168 H200 N8 O16 Ti4 -","4","1","","Zaitsev, Kirill V.; Bermeshev, Maxim V.; Samsonov, Alexey A.; Oprunenko, Juri F.; Churakov, Andrei V.; Howard, Judith A. L.; Karlov, Sergey S.; Zaitseva, Galina S.","Titanium complexes based on chiral enantiopure dialkanolamines: synthesis, structures and catalytic activity","New Journal of Chemistry","2008","32","8","1415","","10.1039/b714739b","","","0.71073","MoKα","","0.0638","0.0514","","","0.1018","0.1058","","","","","","1.018","","","","has coordinates","301851","2025-08-21","20:32:39",""
"7051817","10.8754","0.0008","14.0332","0.0011","17.581","0.0014","90","","90","","90","","2683.2","0.4","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H39 N O4 Ti -","- C27 H39 N O4 Ti -","- C108 H156 N4 O16 Ti4 -","4","1","","Zaitsev, Kirill V.; Bermeshev, Maxim V.; Samsonov, Alexey A.; Oprunenko, Juri F.; Churakov, Andrei V.; Howard, Judith A. L.; Karlov, Sergey S.; Zaitseva, Galina S.","Titanium complexes based on chiral enantiopure dialkanolamines: synthesis, structures and catalytic activity","New Journal of Chemistry","2008","32","8","1415","","10.1039/b714739b","","","0.71073","MoKα","","0.0877","0.0552","","","0.0875","0.0953","","","","","","1.037","","","","has coordinates","301851","2025-08-21","20:32:39",""
"7051818","8.6073","0.0004","18.8704","0.0009","19.0174","0.0009","90","","90","","90","","3088.9","0.3","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C32 H50 N2 O4 Ti -","- C32 H50 N2 O4 Ti -","- C128 H200 N8 O16 Ti4 -","4","1","","Zaitsev, Kirill V.; Bermeshev, Maxim V.; Samsonov, Alexey A.; Oprunenko, Juri F.; Churakov, Andrei V.; Howard, Judith A. L.; Karlov, Sergey S.; Zaitseva, Galina S.","Titanium complexes based on chiral enantiopure dialkanolamines: synthesis, structures and catalytic activity","New Journal of Chemistry","2008","32","8","1415","","10.1039/b714739b","","","0.71073","MoKα","","0.0898","0.059","","","0.0957","0.1029","","","","","","1.014","","","","has coordinates","301851","2025-08-21","20:32:39",""
"7051819","10.8805","0.0014","17.269","0.002","18.868","0.003","90","","90","","90","","3545.2","0.8","120","2","120","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C40 H50 N2 O4 Ti -","- C40 H50 N2 O4 Ti -","- C160 H200 N8 O16 Ti4 -","4","0.5","","Zaitsev, Kirill V.; Bermeshev, Maxim V.; Samsonov, Alexey A.; Oprunenko, Juri F.; Churakov, Andrei V.; Howard, Judith A. L.; Karlov, Sergey S.; Zaitseva, Galina S.","Titanium complexes based on chiral enantiopure dialkanolamines: synthesis, structures and catalytic activity","New Journal of Chemistry","2008","32","8","1415","","10.1039/b714739b","","","0.71073","MoKα","","0.0557","0.0444","","","0.0898","0.0937","","","","","","1.045","","","","has coordinates","301851","2025-08-21","20:32:39",""
"7051820","11.3503","0.0012","17.9768","0.0019","20.083","0.002","90","","90","","90","","4097.8","0.7","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C48 H50 N2 O4 Ti -","- C48 H50 N2 O4 Ti -","- C192 H200 N8 O16 Ti4 -","4","1","","Zaitsev, Kirill V.; Bermeshev, Maxim V.; Samsonov, Alexey A.; Oprunenko, Juri F.; Churakov, Andrei V.; Howard, Judith A. L.; Karlov, Sergey S.; Zaitseva, Galina S.","Titanium complexes based on chiral enantiopure dialkanolamines: synthesis, structures and catalytic activity","New Journal of Chemistry","2008","32","8","1415","","10.1039/b714739b","","","0.71073","MoKα","","0.1006","0.0627","","","0.1006","0.1098","","","","","","1.004","","","","has coordinates","301851","2025-08-21","20:32:39",""
"7051821","11.9885","0.0005","19.3301","0.0009","22.2363","0.001","90","","90","","90","","5153","0.4","120","2","120","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C63 H60 Cl2 N2 O4 Ti -","- C63 H60 Cl2 N2 O4 Ti -","- C252 H240 Cl8 N8 O16 Ti4 -","4","1","","Zaitsev, Kirill V.; Bermeshev, Maxim V.; Samsonov, Alexey A.; Oprunenko, Juri F.; Churakov, Andrei V.; Howard, Judith A. L.; Karlov, Sergey S.; Zaitseva, Galina S.","Titanium complexes based on chiral enantiopure dialkanolamines: synthesis, structures and catalytic activity","New Journal of Chemistry","2008","32","8","1415","","10.1039/b714739b","","","0.71073","MoKα","","0.0896","0.0544","","","0.0924","0.1008","","","","","","1.015","","","","has coordinates","301851","2025-08-21","20:32:39",""
"7051822","10.929","0.002","14.972","0.005","21.338","0.004","80.54","0.02","80.66","0.01","68.66","0.02","3187.9","1.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H44 Fe N2 O5 -","- C34 H44 Fe N2 O5 -","- C136 H176 Fe4 N8 O20 -","4","2","","Braga, Dario; Giaffreda, Stefano Luca; Grepioni, Fabrizia; Palladino, Giuseppe; Polito, Marco","Mechanochemical assembly of hybrid organic‒organometallic materials. Solid‒solid reactions of 1,1′-di-pyridyl-ferrocene with organic acids","New Journal of Chemistry","2008","32","5","820","","10.1039/b714923a","","","0.71073","MoKα","","0.1848","0.0768","","","0.2115","0.2731","","","","","","1.012","","","","has coordinates","180072","2020-10-21","18:00:00",""
"7051823","27.395","0.018","8.934","0.007","21.507","0.015","90","","121.29","0.04","90","","4498","6","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H22 Fe N2 O4 -","- C28 H22 Fe N2 O4 -","- C224 H176 Fe8 N16 O32 -","8","1","","Braga, Dario; Giaffreda, Stefano Luca; Grepioni, Fabrizia; Palladino, Giuseppe; Polito, Marco","Mechanochemical assembly of hybrid organic‒organometallic materials. Solid‒solid reactions of 1,1′-di-pyridyl-ferrocene with organic acids","New Journal of Chemistry","2008","32","5","820","","10.1039/b714923a","","","0.71073","MoKα","","0.0757","0.0425","","","0.0957","0.1101","","","","","","0.99","","","","has coordinates","180072","2020-10-21","18:00:00",""
"7051824","14.775","0.0013","17.8029","0.0015","14.1479","0.0017","90","","121.425","0.003","90","","3175.6","0.6","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C38 H28 Fe N2 O12 -","- C38 H28 Fe N2 O12 -","- C152 H112 Fe4 N8 O48 -","4","0.5","","Braga, Dario; Giaffreda, Stefano Luca; Grepioni, Fabrizia; Palladino, Giuseppe; Polito, Marco","Mechanochemical assembly of hybrid organic‒organometallic materials. Solid‒solid reactions of 1,1′-di-pyridyl-ferrocene with organic acids","New Journal of Chemistry","2008","32","5","820","","10.1039/b714923a","","","0.71073","MoKα","","0.0753","0.0448","","","0.1018","0.1162","","","","","","0.96","","","","has coordinates","180072","2020-10-21","18:00:00",""
"7051825","9.2235","0.0006","9.5841","0.0006","28.3262","0.0018","92.599","0.001","98.53","0.001","104.326","0.001","2390.5","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C112 H82 Fe4 N8 O20 S5 -","- C112 H82 Fe4 N8 O20 S5 -","- C112 H82 Fe4 N8 O20 S5 -","1","0.5","","Braga, Dario; Giaffreda, Stefano Luca; Grepioni, Fabrizia; Palladino, Giuseppe; Polito, Marco","Mechanochemical assembly of hybrid organic‒organometallic materials. Solid‒solid reactions of 1,1′-di-pyridyl-ferrocene with organic acids","New Journal of Chemistry","2008","32","5","820","","10.1039/b714923a","","","0.71073","MoKα","","0.1016","0.0524","","","0.133","0.1523","","","","","","0.992","","","","has coordinates","180072","2020-10-21","18:00:00",""
"7051826","10.4677","0.0006","10.9006","0.0006","11.5402","0.0007","87.771","0.001","67.023","0.001","70.163","0.001","1133.7","0.11","213","2","213","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H48 Cr2 O18 Ti2 -","- C32 H48 Cr2 O18 Ti2 -","- C32 H48 Cr2 O18 Ti2 -","1","0.5","","Nogai, Stefan D.; Schuster, Oliver; Bruce, Jocelyn; Raubenheimer, Helgard G.","Titanoxycarbene complexes of Ti(iv) with O- and N-donor ligands","New Journal of Chemistry","2008","32","3","540","","10.1039/b715075j","","","0.71073","MoKα","","0.0375","0.0333","","","0.0924","0.0961","","","","","","1.041","","","","has coordinates,has disorder","180072","2020-10-21","18:00:00",""
"7051827","9.687","0.0005","10.6893","0.0006","11.7611","0.0006","108.787","0.001","107.558","0.001","91.644","0.001","1088.5","0.1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H48 O18 Ti2 W2 -","- C32 H48 O18 Ti2 W2 -","- C32 H48 O18 Ti2 W2 -","1","0.5","","Nogai, Stefan D.; Schuster, Oliver; Bruce, Jocelyn; Raubenheimer, Helgard G.","Titanoxycarbene complexes of Ti(iv) with O- and N-donor ligands","New Journal of Chemistry","2008","32","3","540","","10.1039/b715075j","","","0.71073","MoKα","","0.0265","0.025","","","0.0627","0.0635","","","","","","1.046","","","","has coordinates","180072","2020-10-21","18:00:00",""
"7051828","23.5279","0.0014","15.423","0.001","14.9208","0.0008","90","","100.695","0.002","90","","5320.3","0.5","213","2","100","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C30 H30 Cr2 N2 O14 Ti -","- C30 H30 Cr2 N2 O14 Ti -","- C180 H180 Cr12 N12 O84 Ti6 -","6","1.5","","Nogai, Stefan D.; Schuster, Oliver; Bruce, Jocelyn; Raubenheimer, Helgard G.","Titanoxycarbene complexes of Ti(iv) with O- and N-donor ligands","New Journal of Chemistry","2008","32","3","540","","10.1039/b715075j","","","0.71073","MoKα","","0.0513","0.0402","","","0.0985","0.1051","","","","","","1.059","","","","has coordinates,has disorder","180072","2020-10-21","18:00:00",""
"7051829","23.5197","0.0015","15.4154","0.001","14.9223","0.0009","90","","100.704","0.001","90","","5316.2","0.6","100","2","100","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C30 H30 N2 O14 Ti W2 -","- C30 H30 N2 O14 Ti W2 -","- C180 H180 N12 O84 Ti6 W12 -","6","1.5","","Nogai, Stefan D.; Schuster, Oliver; Bruce, Jocelyn; Raubenheimer, Helgard G.","Titanoxycarbene complexes of Ti(iv) with O- and N-donor ligands","New Journal of Chemistry","2008","32","3","540","","10.1039/b715075j","","","0.71073","MoKα","","0.049","0.038","","","0.0899","0.0955","","","","","","1.046","","","","has coordinates,has disorder","180072","2020-10-21","18:00:00",""
"7051830","8.7977","0.0005","13.4237","0.0007","16.4837","0.0009","90","","97.906","0.001","90","","1928.18","0.18","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H24 Cl2 N2 O2 Ti -","- C16 H24 Cl2 N2 O2 Ti -","- C64 H96 Cl8 N8 O8 Ti4 -","4","1","","Nogai, Stefan D.; Schuster, Oliver; Bruce, Jocelyn; Raubenheimer, Helgard G.","Titanoxycarbene complexes of Ti(iv) with O- and N-donor ligands","New Journal of Chemistry","2008","32","3","540","","10.1039/b715075j","","","0.71073","MoKα","","0.0428","0.0373","","","0.0953","0.0991","","","","","","1.025","","","","has coordinates,has disorder","180072","2020-10-21","18:00:00",""
"7051831","13.8819","0.0008","15.8365","0.0009","16.0976","0.0009","95.4","0.001","97.683","0.001","91.18","0.001","3489.6","0.3","153","2","153","2","","","","","","","","7","P -1","-P 1","2","","","","- C65 H57 Cl9 F6 N9 O8 P -","- C60 H46 F6 N9 O6 P -","- C120 H92 F12 N18 O12 P2 -","2","1","","Polavarapu, Prasad; Melander, Helena; Langer, Vratislav; Gogoll, Adolf; Grennberg, Helena","Modulation and binding properties of extended glycoluril molecular clips","New Journal of Chemistry","2008","32","4","643","","10.1039/b715208f","","","0.71073","MoKα","","0.0675","0.054","","","0.1589","0.1671","","","","","","0.999","","","","has coordinates","180072","2020-10-21","18:00:00",""
"7051832","7.9048","0.0007","10.0563","0.0011","25.4056","0.0025","90","","95.4398","0.0054","90","","2010.5","0.3","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H28 Cl N5 O -","- C18 H28 Cl N5 O -","- C72 H112 Cl4 N20 O4 -","4","1","","Stavila, Vitalie; Allali, Mustapha; Canaple, Laurence; Stortz, Yvon; Franc, Cécile; Maurin, Philippe; Beuf, Olivier; Dufay, Olivier; Samarut, Jacques; Janier, Marc; Hasserodt, Jens","Significant relaxivity gap between a low-spin and a high-spin iron(ii) complex of structural similarity: an attractive off–on system for the potential design of responsive MRI probes","New Journal of Chemistry","2008","32","3","428","","10.1039/b715254j","","","0.71069","MoKα","","0.1399","0.0511","","0.138","0.0663","0.0789","","","","","","1.0655","","","","has coordinates","301851","2025-08-21","20:32:39",""
"7051833","16.7758","0.0003","14.132","0.0003","23.1203","0.0004","90","","103.193","0.001","90","","5336.59","0.18","123","1","123","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","[Na(12c4)2](cdm).H2O","[Na(12c4)2](cdm).H2O","","- C20 H38 N3 Na O11 -","- C20 H38 N3 Na O11 -","- C160 H304 N24 Na8 O88 -","8","2","","Turner, David R.; Pek, Sze Nee; Batten, Stuart R.","Amide-water hydrogen-bond motifs in alkali-metal/crown ether complexes of carbamoyldicyanomethanide, C(CONH2)(CN)2−","New Journal of Chemistry","2008","32","4","719","","10.1039/b716191c","","","0.71073","MoKα","","0.1474","0.067","","","0.1552","0.1916","","","","","","0.974","","","","has coordinates,has disorder","301851","2025-08-21","20:32:39",""
"7051834","9.138","0.003","11.009","0.003","25.629","0.007","90","","96.335","0.012","90","","2562.5","1.3","123","1","123","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","[K(12c4)2]cdm.H2O","bis(12-crown-4)potassium carbamoyldicyanomethanide hydrate","","- C20 H36 K N3 O10 -","- C20 H36 K N3 O10 -","- C80 H144 K4 N12 O40 -","4","1","","Turner, David R.; Pek, Sze Nee; Batten, Stuart R.","Amide-water hydrogen-bond motifs in alkali-metal/crown ether complexes of carbamoyldicyanomethanide, C(CONH2)(CN)2−","New Journal of Chemistry","2008","32","4","719","","10.1039/b716191c","","","0.71073","MoKα","","0.1276","0.1261","","","0.3244","0.3257","","","","","","1.103","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7051835","16.1381","0.0003","18.4737","0.0004","22.6934","0.0005","113.457","0.001","96.583","0.001","93.778","0.001","6119.2","0.2","123","1","123","1","","","","","","","","5","P -1","-P 1","2","[K(15c5)2](cdm).H2O","[K(15c5)2](cdm).H2O","","- C24 H44 K N3 O12 -","- C24 H44 K N3 O12 -","- C192 H352 K8 N24 O96 -","8","4","","Turner, David R.; Pek, Sze Nee; Batten, Stuart R.","Amide-water hydrogen-bond motifs in alkali-metal/crown ether complexes of carbamoyldicyanomethanide, C(CONH2)(CN)2−","New Journal of Chemistry","2008","32","4","719","","10.1039/b716191c","","","0.71073","MoKα","","0.0846","0.0458","","","0.102","0.1211","","","","","","1.023","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7051836","10.4626","0.0002","11.7836","0.0003","14.8886","0.0003","106.085","0.002","90.672","0.001","91.569","0.001","1762.69","0.07","123","1","423","2","","","","","","","","5","P -1","-P 1","2","[K(15c5)2](cdm)(cdmH)","[K(15c5)2](cdm)(cdmH)","","- C28 H45 K N6 O12 -","- C28 H45 K N6 O12 -","- C56 H90 K2 N12 O24 -","2","1","","Turner, David R.; Pek, Sze Nee; Batten, Stuart R.","Amide-water hydrogen-bond motifs in alkali-metal/crown ether complexes of carbamoyldicyanomethanide, C(CONH2)(CN)2−","New Journal of Chemistry","2008","32","4","719","","10.1039/b716191c","","","0.71073","MoKα","","0.0948","0.065","","","0.1566","0.1756","","","","","","1.034","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7051837","13.4619","0.0002","17.6252","0.0003","18.4777","0.0003","90.386","0.001","90.441","0.001","103.642","0.001","4260.2","0.12","123","1","123","1","","","","","","","","5","P -1","-P 1","2","[K(18c6)(cdm)(H2O)]","[(aqua)(carbamoyldicyanomethanido)(18-crown-6)potassium]","","- C16 H28 K N3 O8 -","- C16 H28 K N3 O8 -","- C128 H224 K8 N24 O64 -","8","4","","Turner, David R.; Pek, Sze Nee; Batten, Stuart R.","Amide-water hydrogen-bond motifs in alkali-metal/crown ether complexes of carbamoyldicyanomethanide, C(CONH2)(CN)2−","New Journal of Chemistry","2008","32","4","719","","10.1039/b716191c","","","0.71073","MoKα","","0.0491","0.0329","","","0.0773","0.0855","","","","","","1.011","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7051838","17.4821","0.0002","17.7345","0.0002","17.8705","0.0003","97.04","0.001","109.612","0.001","102.223","0.001","4986.68","0.13","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C51 H57 Cl3 N6 O8 -","- C51 H57 Cl3 N6 O8 -","- C204 H228 Cl12 N24 O32 -","4","2","","Plitt, Patrick; Lynch, Vincent M.; Sessler, Jonathan L.","Oxidation-induced control of self-assembly using a bis-dipyrromethyl substituted phenanthroline building block","New Journal of Chemistry","2008","32","5","777","","10.1039/b716796b","","","0.71073","MoKα","","0.1561","0.0748","","","0.1805","0.2165","","","","","","1.033","","","","has coordinates","180072","2020-10-21","18:00:00",""
"7051839","11.0307","0.0002","15.0724","0.0003","18.4602","0.0004","99.633","0.002","99.191","0.002","111.289","0.002","2737","0.11","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C56 H70 Cl2 N6 O10 -","- C56 H70 Cl2 N6 O10 -","- C112 H140 Cl4 N12 O20 -","2","1","","Plitt, Patrick; Lynch, Vincent M.; Sessler, Jonathan L.","Oxidation-induced control of self-assembly using a bis-dipyrromethyl substituted phenanthroline building block","New Journal of Chemistry","2008","32","5","777","","10.1039/b716796b","","","0.71073","MoKα","","0.1164","0.0633","","","0.1407","0.1671","","","","","","1.017","","","","has coordinates,has disorder","301851","2025-08-21","20:32:39",""
"7051840","13.184","0.0016","7.5135","0.0007","9.5583","0.0012","90","","104.607","0.015","90","","916.22","0.19","180","","","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C16 H20 Cl2 N4 O4 -","- C16 H20 Cl2 N4 O4 -","- C32 H40 Cl4 N8 O8 -","2","0.5","","Delval, Franck; Spyratou, Alexandra; Verdan, Simon; Bernardinelli, Gerald; Williams, Alan F.","The clash of the synthons: crystal structures of benzimidazole–alcohol–carboxylic acids","New Journal of Chemistry","2008","32","8","1394","","10.1039/b717018a","","","0.71073","MoKα","","","0.039","","","","0.038","","","","","","1.35","","","","has coordinates","301851","2025-08-21","20:32:39",""
"7051841","8.079","0.0005","8.201","0.0006","16.3774","0.0013","84.534","0.009","84.929","0.009","71.783","0.008","1024.05","0.14","150","","","","","","","","","","","5","P -1","-P 1","2","","","","- C18 H24 Cl2 N4 O4 -","- C18 H24 Cl2 N4 O4 -","- C36 H48 Cl4 N8 O8 -","2","1","","Delval, Franck; Spyratou, Alexandra; Verdan, Simon; Bernardinelli, Gerald; Williams, Alan F.","The clash of the synthons: crystal structures of benzimidazole–alcohol–carboxylic acids","New Journal of Chemistry","2008","32","8","1394","","10.1039/b717018a","","","0.71073","MoKα","","","0.036","","","","0.036","","","","","","1.45","","","","has coordinates","301851","2025-08-21","20:32:39",""
"7051842","8.5668","0.0009","12.2524","0.0011","9.3375","0.001","90","","103.982","0.012","90","","951.06","0.17","220","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H20 Cl2 N4 O3 -","- C16 H20 Cl2 N4 O3 -","- C32 H40 Cl4 N8 O6 -","2","1","","Delval, Franck; Spyratou, Alexandra; Verdan, Simon; Bernardinelli, Gerald; Williams, Alan F.","The clash of the synthons: crystal structures of benzimidazole–alcohol–carboxylic acids","New Journal of Chemistry","2008","32","8","1394","","10.1039/b717018a","","","0.71073","MoKα","","","0.043","","","","0.042","","","","","","1.49","","","","has coordinates","301851","2025-08-21","20:32:39",""
"7051843","16.1313","0.0016","5.0524","0.0004","11.8012","0.0013","90","","109.906","0.011","90","","904.35","0.16","200","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H10 N2 O2 -","- C10 H10 N2 O2 -","- C40 H40 N8 O8 -","4","1","","Delval, Franck; Spyratou, Alexandra; Verdan, Simon; Bernardinelli, Gerald; Williams, Alan F.","The clash of the synthons: crystal structures of benzimidazole–alcohol–carboxylic acids","New Journal of Chemistry","2008","32","8","1394","","10.1039/b717018a","","","0.71073","MoKα","","","0.032","","","","0.032","","","","","","1.21","","","","has coordinates","301851","2025-08-21","20:32:39",""
"7051844","11.4467","0.001","9.5194","0.0006","13.1539","0.001","90","","108.81","0.009","90","","1356.77","0.19","200","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H18 N2 O2 -","- C15 H18 N2 O2 -","- C60 H72 N8 O8 -","4","2","","Delval, Franck; Spyratou, Alexandra; Verdan, Simon; Bernardinelli, Gerald; Williams, Alan F.","The clash of the synthons: crystal structures of benzimidazole–alcohol–carboxylic acids","New Journal of Chemistry","2008","32","8","1394","","10.1039/b717018a","","","0.71073","MoKα","","","0.032","","","","0.031","","","","","","1.5","","","","has coordinates","301851","2025-08-21","20:32:39",""
"7051845","4.6354","0.0005","10.4827","0.0015","10.2152","0.0012","90","","101.112","0.013","90","","487.07","0.11","220","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C10 H10 N2 O3 -","- C10 H10 N2 O3 -","- C20 H20 N4 O6 -","2","1","","Delval, Franck; Spyratou, Alexandra; Verdan, Simon; Bernardinelli, Gerald; Williams, Alan F.","The clash of the synthons: crystal structures of benzimidazole–alcohol–carboxylic acids","New Journal of Chemistry","2008","32","8","1394","","10.1039/b717018a","","","0.71073","MoKα","","","0.031","","","","0.031","","","","","","1.66","","","","has coordinates","301851","2025-08-21","20:32:39",""
"7051846","6.879","0.0003","10.3028","0.0007","15.9544","0.0008","90","","90","","90","","1130.74","0.11","200","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C10 H14 N2 O6 -","- C10 H14 N2 O6 -","- C40 H56 N8 O24 -","4","1","","Delval, Franck; Spyratou, Alexandra; Verdan, Simon; Bernardinelli, Gerald; Williams, Alan F.","The clash of the synthons: crystal structures of benzimidazole–alcohol–carboxylic acids","New Journal of Chemistry","2008","32","8","1394","","10.1039/b717018a","","","0.71073","MoKα","","","0.032","","","","0.032","","","","","","1.62","","","","has coordinates","301851","2025-08-21","20:32:39",""
"7051847","10.5317","0.0008","10.5831","0.0009","9.4968","0.001","90","","90","","90","","1058.49","0.16","200","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H12 N2 O4 -","- C11 H12 N2 O4 -","- C44 H48 N8 O16 -","4","1","","Delval, Franck; Spyratou, Alexandra; Verdan, Simon; Bernardinelli, Gerald; Williams, Alan F.","The clash of the synthons: crystal structures of benzimidazole–alcohol–carboxylic acids","New Journal of Chemistry","2008","32","8","1394","","10.1039/b717018a","","","0.71073","MoKα","","","0.031","","","","0.03","","","","","","1.38","","","","has coordinates","301851","2025-08-21","20:32:39",""
"7051848","8.8338","0.0007","11.941","0.0006","12.9247","0.0008","90","","97.458","0.006","90","","1351.82","0.15","213","2","213","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H13 Br N2 O4 S -","- C12 H13 Br N2 O4 S -","- C48 H52 Br4 N8 O16 S4 -","4","1","","Makota, O.; Eilfeld, A.; Trach, Yu.; Schulze, B.; Sieler, J.","Novel hydroperoxy sultam, 2-(6-bromo-pyrid-2-yl)-2,3,4,5,6,7-hexahydro-1,2-benzisothiazol-3-hydroperoxy 1,1-dioxide: synthesis, crystal structure and kinetics of catalytic interaction with cyclooctene","New Journal of Chemistry","2008","32","6","1020","","10.1039/b717726g","","","0.71073","MoKα","","0.0435","0.0355","","","0.0994","0.1019","","","","","","1.139","","","","has coordinates","301851","2025-08-21","20:32:39",""
"7051849","12.9568","0.0011","14.4422","0.0014","15.5453","0.0012","92.45","0.002","103.069","0.001","112.024","0.002","2600.5","0.4","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","","","- C45.5 H45.5 Cl10.5 N2 O8 S2 -","- C45.5 H45.5 Cl10.5 N2 O8 S2 -","- C91 H91 Cl21 N4 O16 S4 -","2","1","","Tran, Huu-Anh; Collins, Julie; Georghiou, Paris E.","Synthesis of “calixarene-like” N,N-ditosyldiaza[3.3](1,4)naphthalenophanes","New Journal of Chemistry","2008","32","7","1175","","10.1039/b717797f","","","0.7107","MoKα","","0.0763","0.072","","","0.1773","0.1813","","","","","","1.071","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7051850","15.8094","0.0005","14.9432","0.0004","15.5776","0.0004","90","","103.219","0.001","90","","3582.59","0.18","113","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","9,9'(Biphenyl-4,4'-diyl)difluoren-9-ol.2(tetrahydrofuran) clathrate","9,9'(Biphenyl-4,4'-diyl)difluoren-9-ol.2(tetrahydrofuran) clathrate","","- C46 H42 O4 -","- C46 H42 O4 -","- C184 H168 O16 -","4","1","","le Roex, Tanya; Nassimbeni, Luigi R.; Weber, Edwin","Selectivity and structure of mixed guest clathrates","New Journal of Chemistry","2008","32","5","856","","10.1039/b718397f","","","0.71073","MoKα","","0.1244","0.0495","","","0.1047","0.1264","","","","","","0.938","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7051851","7.5658","0.0002","32.1197","0.0008","15.3726","0.0005","90","","99.269","0.001","90","","3686.94","0.18","113","2","113","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","9,9'(Biphenyl-4,4'-diyl)difluoren-9-ol.2(diethyl ether) clathrate","9,9'(Biphenyl-4,4'-diyl)difluoren-9-ol.2(diethyl ether) clathrate","","- C46 H46 O4 -","- C46 H46 O4 -","- C184 H184 O16 -","4","1","","le Roex, Tanya; Nassimbeni, Luigi R.; Weber, Edwin","Selectivity and structure of mixed guest clathrates","New Journal of Chemistry","2008","32","5","856","","10.1039/b718397f","","","0.71073","MoKα","","0.2121","0.0646","","","0.1148","0.1581","","","","","","0.973","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7051852","15.1601","0.0006","15.2878","0.0006","15.7069","0.0007","90","","101.288","0.002","90","","3569.9","0.3","113","2","113","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","9,9'-(Biphenyl-4,4'-diyl)difluoren-9-ol. 1.35(tetrahydrofuran). 0.65(diethyl ether) clathrate","9,9'-(Biphenyl-4,4'-diyl)difluoren-9-ol. 1.35(tetrahydrofuran). 0.65(diethyl ether) clathrate","","- C46 H44 O4 -","- C46 H34 O4 -","- C184 H136 O16 -","4","1","","le Roex, Tanya; Nassimbeni, Luigi R.; Weber, Edwin","Selectivity and structure of mixed guest clathrates","New Journal of Chemistry","2008","32","5","856","","10.1039/b718397f","","","0.71073","MoKα","","0.1397","0.069","","","0.1652","0.1959","","","","","","1.036","","","","has coordinates","180072","2020-10-21","18:00:00",""
"7051853","15.1157","0.0003","15.2709","0.0004","15.7497","0.0004","90","","100.986","0.001","90","","3568.88","0.15","113","2","113","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","9,9'-(Biphenyl-4,4'-diyl)difluoren-9-ol. 1.15(tetrahydrofuran). 0.85(diethyl ether) clathrate","9,9'-(Biphenyl-4,4'-diyl)difluoren-9-ol. 1.15(tetrahydrofuran). 0.85(diethyl ether) clathrate","","- C46 H44 O4 -","- C46 H42 O4 -","- C184 H168 O16 -","4","1","","le Roex, Tanya; Nassimbeni, Luigi R.; Weber, Edwin","Selectivity and structure of mixed guest clathrates","New Journal of Chemistry","2008","32","5","856","","10.1039/b718397f","","","0.71073","MoKα","","0.1218","0.0518","","","0.1269","0.1523","","","","","","0.987","","","","has coordinates","180072","2020-10-21","18:00:00",""
"7051854","15.0708","0.0005","15.2736","0.0005","15.8003","0.0006","90","","100.415","0.001","90","","3577.1","0.2","103","2","103","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","9,9'-(Biphenyl-4,4'-diyl)bis(fluoren-9-ol). 0.9(tetrahydrofuran). 1.1(diethyl ether) clathrate","9,9'-(Biphenyl-4,4'-diyl)bis(fluoren-9-ol). 0.9(tetrahydrofuran). 1.1(diethyl ether) clathrate","","- C46 H44 O4 -","- C46 H36 O4 -","- C184 H144 O16 -","4","1","","le Roex, Tanya; Nassimbeni, Luigi R.; Weber, Edwin","Selectivity and structure of mixed guest clathrates","New Journal of Chemistry","2008","32","5","856","","10.1039/b718397f","","","0.71073","MoKα","","0.1207","0.0654","","","0.1492","0.1743","","","","","","1.014","","","","has coordinates","180072","2020-10-21","18:00:00",""
"7051855","11.176","0.002","18.325","0.004","23.185","0.005","90","","97.89","0.03","90","","4703.3","1.7","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","9,9'-(ethyne-1,2-diyl)difluoren-9-ol. (acetonitrile). (water) clathrate","9,9'-(ethyne-1,2-diyl)difluoren-9-ol. (acetonitrile). (water) clathrate","","- C30 H25 N O3 -","- C30 H22 N O3 -","- C240 H176 N8 O24 -","8","2","","le Roex, Tanya; Nassimbeni, Luigi R.; Weber, Edwin","Selectivity and structure of mixed guest clathrates","New Journal of Chemistry","2008","32","5","856","","10.1039/b718397f","","","0.71073","MoKα","","0.1125","0.0465","","","0.1067","0.1321","","","","","","0.833","","","","has coordinates","180072","2020-10-21","18:00:00",""
"7051856","9.5245","0.0019","11.534","0.002","16.275","0.003","99.2","0.03","91.61","0.03","90.19","0.03","1764.1","0.6","173","2","173","2","","","","","","","","3","P -1","-P 1","2","1.5(9,9'-(ethyne-1,2-diyl)difluoren-9-ol). 2(ethanol) clathrate","1.5(9,9'-(ethyne-1,2-diyl)difluoren-9-ol). 2(ethanol) clathrate","","- C46 H39 O5 -","- C46 H39 O5 -","- C92 H78 O10 -","2","1","","le Roex, Tanya; Nassimbeni, Luigi R.; Weber, Edwin","Selectivity and structure of mixed guest clathrates","New Journal of Chemistry","2008","32","5","856","","10.1039/b718397f","","","0.71073","MoKα","","0.063","0.041","","","0.0945","0.1025","","","","","","1.056","","","","has coordinates","180072","2020-10-21","18:00:00",""
"7051857","9.7084","0.0019","11.562","0.002","16.045","0.003","80.21","0.03","87.41","0.03","89.34","0.03","1773","0.6","173","2","173","2","","","","","","","","4","P -1","-P 1","2","1.5(9,9'-(ethyne-1,2-diyl)difluoren-9-ol). (ethanol). (acetonitrile) clathrate","1.5(9,9'-(ethyne-1,2-diyl)difluoren-9-ol). (ethanol). (acetonitrile) clathrate","","- C46 H36 N O4 -","- C46 H36 N O4 -","- C92 H72 N2 O8 -","2","1","","le Roex, Tanya; Nassimbeni, Luigi R.; Weber, Edwin","Selectivity and structure of mixed guest clathrates","New Journal of Chemistry","2008","32","5","856","","10.1039/b718397f","","","0.71073","MoKα","","0.0819","0.0415","","","0.0909","0.1017","","","","","","1.034","","","","has coordinates","180072","2020-10-21","18:00:00",""
"7051858","9.6894","0.0019","11.558","0.002","16.063","0.003","80.29","0.03","87.53","0.03","89.42","0.03","1771.5","0.6","173","2","173","2","","","","","","","","4","P -1","-P 1","2","1.5(9,9'-(ethyne-1,2-diyl)difluoren-9-ol). 1.07(ethanol). 0.93(acetonitrile) clathrate","1.5(9,9'-(ethyne-1,2-diyl)difluoren-9-ol). 1.07(ethanol). 0.93(acetonitrile) clathrate","","- C46 H36 N O4 -","- C46 H33 N O4 -","- C92 H66 N2 O8 -","2","1","","le Roex, Tanya; Nassimbeni, Luigi R.; Weber, Edwin","Selectivity and structure of mixed guest clathrates","New Journal of Chemistry","2008","32","5","856","","10.1039/b718397f","","","0.71073","MoKα","","0.097","0.0452","","","0.1071","0.1218","","","","","","1.019","","","","has coordinates","180072","2020-10-21","18:00:00",""
"7051859","9.631","0.0019","11.548","0.002","16.154","0.003","80.54","0.03","87.79","0.03","89.66","0.03","1770.9","0.6","173","2","173","2","","","","","","","","4","P -1","-P 1","2","1.5(9,9'-(ethyne-1,2-diyl)difluoren-9-ol). 1.41(ethanol). 0.59(acetonitrile) clathrate","1.5(9,9'-(ethyne-1,2-diyl)difluoren-9-ol). 1.41(ethanol). 0.59(acetonitrile) clathrate","","- C46 H36 N O4 -","- C46 H33 N0.59 O4.41 -","- C92 H66 N1.18 O8.82 -","2","1","","le Roex, Tanya; Nassimbeni, Luigi R.; Weber, Edwin","Selectivity and structure of mixed guest clathrates","New Journal of Chemistry","2008","32","5","856","","10.1039/b718397f","","","0.71073","MoKα","","0.0868","0.0468","","","0.1142","0.129","","","","","","1.058","","","","has coordinates","180072","2020-10-21","18:00:00",""
"7051860","9.9567","0.0001","10.8079","0.0002","11.9167","0.0002","79.455","0.001","88.281","0.001","83.363","0.001","1252.21","0.03","173","2","173","2","","","","","","","","4","P -1","-P 1","2","none","9,9'-(ethyne-1,2-diyl)difluoren-9-ol. 2(acetonitrile) clathrate","","- C32 H24 N2 O2 -","- C32 H24 N2 O2 -","- C64 H48 N4 O4 -","2","1","","le Roex, Tanya; Nassimbeni, Luigi R.; Weber, Edwin","Selectivity and structure of mixed guest clathrates","New Journal of Chemistry","2008","32","5","856","","10.1039/b718397f","","","0.71073","MoKα","","0.0546","0.0382","","","0.0918","0.1002","","","","","","1.042","","","","has coordinates","301851","2025-08-21","20:32:39",""
"7051861","9.755","0.002","10.638","0.002","24.811","0.005","90","","91.77","0.03","90","","2573.5","0.9","173","2","173","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","none","9,9'-(ethyne-1,2-diyl)difluoren-9-ol). 2(ethanol) clathrate","","- C32 H30 O4 -","- C32 H30 O4 -","- C128 H120 O16 -","4","1","","le Roex, Tanya; Nassimbeni, Luigi R.; Weber, Edwin","Selectivity and structure of mixed guest clathrates","New Journal of Chemistry","2008","32","5","856","","10.1039/b718397f","","","0.71073","MoKα","","0.1596","0.0762","","","0.1885","0.221","","","","","","1.071","","","","has coordinates","301851","2025-08-21","20:32:39",""
"7051862","15.879","0.004","17.556","0.004","29.381","0.006","90","","90","","90","","8191","3","273","2","273","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C86 H118 Ga2 Hf O -","- C86 H118 Ga2 Hf O -","- C344 H472 Ga8 Hf4 O4 -","4","0.5","","Quillian, Brandon; Wang, Yuzhong; Wei, Pingrong; Robinson, Gregory H.","Organometallic compounds containing new Hf‒Ga and Hf‒In bonds: Cp2Hf(ER)2 (Cp = C5H5; E = Ga, In; R = ‒C6H3-2,6-(2,4,6-i-Pr3C6H2)2)","New Journal of Chemistry","2008","32","5","774","","10.1039/b718429h","","","0.71073","MoKα","","0.1602","0.0614","","","0.1563","0.2307","","","","","","1.013","","","","has coordinates,has disorder","180072","2020-10-21","18:00:00",""
"7051863","15.748","0.004","17.855","0.005","29.708","0.008","90","","90","","90","","8353","4","273","2","273","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C86 H118 Hf In2 O -","- C86 H118 Hf In2 O -","- C344 H472 Hf4 In8 O4 -","4","0.5","","Quillian, Brandon; Wang, Yuzhong; Wei, Pingrong; Robinson, Gregory H.","Organometallic compounds containing new Hf‒Ga and Hf‒In bonds: Cp2Hf(ER)2 (Cp = C5H5; E = Ga, In; R = ‒C6H3-2,6-(2,4,6-i-Pr3C6H2)2)","New Journal of Chemistry","2008","32","5","774","","10.1039/b718429h","","","0.71073","MoKα","","0.1882","0.0653","","","0.1452","0.208","","","","","","1.01","","","","has coordinates,has disorder","180072","2020-10-21","18:00:00",""
"7051864","10.0458","0.0002","24.5646","0.0006","17.3771","0.0004","90","","97.058","0.001","90","","4255.67","0.17","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C95 H134 N6 O2 Pb2 -","- C95 H134 N6 O2 Pb2 -","- C190 H268 N12 O4 Pb4 -","2","0.5","","Stasch, Andreas; Forsyth, Craig M.; Jones, Cameron; Junk, Peter C.","Thermally stable lead(ii) amidinates and guanidinates","New Journal of Chemistry","2008","32","5","829","","10.1039/b718537e","","","0.71073","MoKα","","0.0915","0.0547","","","0.0723","0.0796","","","","","","1.047","","","","has coordinates,has disorder","301851","2025-08-21","20:32:39",""
"7051865","14.9163","0.0003","16.1789","0.0003","20.8178","0.0005","90","","110.09","0.001","90","","4718.26","0.17","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C50 H70 N4 Pb -","- C50 H70 N4 Pb -","- C200 H280 N16 Pb4 -","4","1","","Stasch, Andreas; Forsyth, Craig M.; Jones, Cameron; Junk, Peter C.","Thermally stable lead(ii) amidinates and guanidinates","New Journal of Chemistry","2008","32","5","829","","10.1039/b718537e","","","0.71073","MoKα","","0.0959","0.0576","","","0.1298","0.1455","","","","","","1.053","","","","has coordinates,has disorder","180072","2020-10-21","18:00:00",""
"7051866","10.9449","0.0004","13.1345","0.0004","15.3776","0.0007","109.593","0.002","98.675","0.002","95.682","0.003","2032.07","0.14","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C88 H120 Cl2 N6 Pb2 -","- C88 H120 Cl2 N6 Pb2 -","- C88 H120 Cl2 N6 Pb2 -","1","0.5","","Stasch, Andreas; Forsyth, Craig M.; Jones, Cameron; Junk, Peter C.","Thermally stable lead(ii) amidinates and guanidinates","New Journal of Chemistry","2008","32","5","829","","10.1039/b718537e","","","0.71073","MoKα","","0.1088","0.0559","","","0.0746","0.0871","","","","","","1.03","","","","has coordinates","301851","2025-08-21","20:32:39",""
"7051867","13.2064","0.0003","13.3847","0.0003","13.9367","0.0004","63.026","0.001","80.217","0.001","79.878","0.001","2149.88","0.09","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C95 H136 Cl2 N6 Pb2 -","- C95 H136 Cl2 N6 Pb2 -","- C95 H136 Cl2 N6 Pb2 -","1","0.5","","Stasch, Andreas; Forsyth, Craig M.; Jones, Cameron; Junk, Peter C.","Thermally stable lead(ii) amidinates and guanidinates","New Journal of Chemistry","2008","32","5","829","","10.1039/b718537e","","","0.71073","MoKα","","0.0543","0.041","","","0.0931","0.0988","","","","","","1.059","","","","has coordinates,has disorder","301851","2025-08-21","20:32:39",""
"7051868","19.336","0.004","24.529","0.005","5.4514","0.0011","90","","90","","90","","2585.6","0.9","153","2","153","2","","","","","","","","5","I m m 2","I 2 -2","44","","","","- C18 H23 O16 S3 Tb -","- C18 H23 O16 S3 Tb -","- C72 H92 O64 S12 Tb4 -","4","0.5","","Yang, Xiaoping; Rivers, Joseph H.; McCarty, W. Jeffrey; Wiester, Michael; Jones, Richard A.","Synthesis and structures of luminescent ladder-like lanthanide coordination polymers of 4-hydroxybenzenesulfonate","New Journal of Chemistry","2008","32","5","790","","10.1039/b718590a","","","0.71073","MoKα","","0.0499","0.0437","","","0.1142","0.1178","","","","","","1.129","","","","has coordinates","180072","2020-10-21","18:00:00",""
"7051869","19.219","0.004","24.277","0.005","5.425","0.0011","90","","90","","90","","2531.2","0.9","153","2","153","2","","","","","","","","5","I m m 2","I 2 -2","44","","","","- C18 H23 Er O16 S3 -","- C18 H23 Er O16 S3 -","- C72 H92 Er4 O64 S12 -","4","0.5","","Yang, Xiaoping; Rivers, Joseph H.; McCarty, W. Jeffrey; Wiester, Michael; Jones, Richard A.","Synthesis and structures of luminescent ladder-like lanthanide coordination polymers of 4-hydroxybenzenesulfonate","New Journal of Chemistry","2008","32","5","790","","10.1039/b718590a","","","0.71073","MoKα","","0.1942","0.0734","","","0.1362","0.1745","","","","","","0.983","","","","has coordinates","180072","2020-10-21","18:00:00",""
"7051870","19.244","0.004","24.149","0.005","5.4176","0.0011","90","","90","","90","","2517.7","0.9","153","2","153","2","","","","","","","","5","I m m 2","I 2 -2","44","","","","- C18 H23 O16 S3 Yb -","- C18 H23 O16 S3 Yb -","- C72 H92 O64 S12 Yb4 -","4","0.5","","Yang, Xiaoping; Rivers, Joseph H.; McCarty, W. Jeffrey; Wiester, Michael; Jones, Richard A.","Synthesis and structures of luminescent ladder-like lanthanide coordination polymers of 4-hydroxybenzenesulfonate","New Journal of Chemistry","2008","32","5","790","","10.1039/b718590a","","","0.71073","MoKα","","0.0741","0.0527","","","0.129","0.1408","","","","","","1.104","","","","has coordinates","180072","2020-10-21","18:00:00",""
"7051871","8.036","0.003","10.8","0.004","12.235","0.005","96.582","0.005","106.786","0.005","96.366","0.005","998.3","0.7","125","2","125","2","","","","","","","","5","P -1","-P 1","2","","","","- C40.28 H36.56 Cl0.78 O6.5 S6 -","- C40.28 H36.56 Cl0.78 O6.5 S6 -","- C40.28 H36.56 Cl0.78 O6.5 S6 -","1","0.5","","Burchell, Tara J.; Enright, Gary D.; Ripmeester, John A.","Guest capture, storage and removal in the TATM host framework: a single-crystal study","New Journal of Chemistry","2008","32","5","864","","10.1039/b718592h","","","0.71073","MoKα","","0.111","0.0877","","","0.1982","0.2103","","","","","","1.176","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7051872","8.1164","0.0016","10.57","0.002","12.351","0.003","95.006","0.007","107.786","0.006","95.944","0.006","995.6","0.4","100","1","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C41 H38 O7 S6 -","- C41 H38 O7 S6 -","- C41 H38 O7 S6 -","1","0.5","","Burchell, Tara J.; Enright, Gary D.; Ripmeester, John A.","Guest capture, storage and removal in the TATM host framework: a single-crystal study","New Journal of Chemistry","2008","32","5","864","","10.1039/b718592h","","","0.71073","MoKα","","0.0829","0.0597","","","0.1437","0.1612","","","","","","1.043","","","","has coordinates,has disorder","301851","2025-08-21","20:32:39",""
"7051873","7.9717","0.0006","10.8775","0.0007","12.1307","0.0009","97.149","0.004","106.072","0.004","96.567","0.004","990.62","0.13","100","1","95","2","","","","","","","","5","P -1","-P 1","2","","","","- C40.6 H37.2 Cl0.8 O6.6 S6 -","- C40.6 H37.2 Cl0.8 O6.6 S6 -","- C40.6 H37.2 Cl0.8 O6.6 S6 -","1","0.5","","Burchell, Tara J.; Enright, Gary D.; Ripmeester, John A.","Guest capture, storage and removal in the TATM host framework: a single-crystal study","New Journal of Chemistry","2008","32","5","864","","10.1039/b718592h","","","0.71073","MoKα","","0.0655","0.0478","","","0.1193","0.1314","","","","","","1.039","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7051874","7.9656","0.0006","10.9124","0.0008","12.1583","0.0009","97.297","0.003","105.982","0.004","96.641","0.004","995.12","0.13","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","","","- C40.36 H36.72 Cl1.28 O6.36 S6 -","- C40.36 H36.72 Cl1.28 O6.36 S6 -","- C40.36 H36.72 Cl1.28 O6.36 S6 -","1","0.5","","Burchell, Tara J.; Enright, Gary D.; Ripmeester, John A.","Guest capture, storage and removal in the TATM host framework: a single-crystal study","New Journal of Chemistry","2008","32","5","864","","10.1039/b718592h","","","0.71073","MoKα","","0.0582","0.0444","","","0.1184","0.1277","","","","","","1.038","","","","has coordinates,has disorder","180072","2020-10-21","18:00:00",""
"7051875","7.9555","0.0003","10.9385","0.0005","12.1457","0.0005","97.452","0.002","105.862","0.002","96.676","0.002","995.27","0.07","100","1","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C40.24 H36.48 Cl1.52 O6.24 S6 -","- C40.24 H36.48 Cl1.52 O6.24 S6 -","- C40.24 H36.48 Cl1.52 O6.24 S6 -","1","0.5","","Burchell, Tara J.; Enright, Gary D.; Ripmeester, John A.","Guest capture, storage and removal in the TATM host framework: a single-crystal study","New Journal of Chemistry","2008","32","5","864","","10.1039/b718592h","","","0.71073","MoKα","","0.057","0.0368","","","0.0929","0.1095","","","","","","1.062","","","","has coordinates,has disorder","180072","2020-10-21","18:00:00",""
"7051876","7.9495","0.0007","10.9743","0.001","12.18","0.0012","97.623","0.005","105.816","0.004","96.665","0.004","1000.33","0.16","100","1","100","1","","","","","","","","5","P -1","-P 1","2","","","","- C40 H36 Cl2 O6 S6 -","- C40 H36 Cl2 O6 S6 -","- C40 H36 Cl2 O6 S6 -","1","0.5","","Burchell, Tara J.; Enright, Gary D.; Ripmeester, John A.","Guest capture, storage and removal in the TATM host framework: a single-crystal study","New Journal of Chemistry","2008","32","5","864","","10.1039/b718592h","","","0.71073","MoKα","","0.0456","0.0335","","","0.0883","0.0949","","","","","","1.03","","","","has coordinates,has disorder","301851","2025-08-21","20:32:39",""
"7051877","7.9859","0.0008","10.922","0.0011","12.2218","0.0013","97.398","0.002","106.184","0.002","96.687","0.002","1002.17","0.18","125","2","125","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H36 Cl2 O6 S6 -","- C40 H36 Cl2 O6 S6 -","- C40 H36 Cl2 O6 S6 -","1","0.5","","Burchell, Tara J.; Enright, Gary D.; Ripmeester, John A.","Guest capture, storage and removal in the TATM host framework: a single-crystal study","New Journal of Chemistry","2008","32","5","864","","10.1039/b718592h","","","0.71073","MoKα","","0.041","0.0334","","","0.087","0.0931","","","","","","1.044","","","","has coordinates,has disorder","180072","2020-10-21","18:00:00",""
"7051878","7.925","0.003","10.805","0.005","11.946","0.005","96.507","0.006","105.889","0.006","96.037","0.006","967.5","0.7","125","2","125","2","","","","","","","","5","P -1","-P 1","2","","","","- C38.52 H33.03 Cl0.52 O6 S6 -","- C38.516 H33.032 Cl0.516 O6 S6 -","- C38.516 H33.032 Cl0.516 O6 S6 -","1","0.5","","Burchell, Tara J.; Enright, Gary D.; Ripmeester, John A.","Guest capture, storage and removal in the TATM host framework: a single-crystal study","New Journal of Chemistry","2008","32","5","864","","10.1039/b718592h","","","0.71073","MoKα","","0.1206","0.0872","","","0.2038","0.2183","","","","","","1.073","","","","has coordinates,has disorder","180072","2020-10-21","18:00:00",""
"7051879","7.944","0.004","10.813","0.006","11.977","0.006","96.448","0.007","105.998","0.007","95.975","0.007","972.8","0.9","125","2","125","2","","","","","","","","5","P -1","-P 1","2","","","","- C38.48 H32.96 Cl0.48 O6 S6 -","- C38.48 H32.96 Cl0.48 O6 S6 -","- C38.48 H32.96 Cl0.48 O6 S6 -","1","0.5","","Burchell, Tara J.; Enright, Gary D.; Ripmeester, John A.","Guest capture, storage and removal in the TATM host framework: a single-crystal study","New Journal of Chemistry","2008","32","5","864","","10.1039/b718592h","","","0.71073","MoKα","","0.1113","0.0725","","","0.1753","0.1966","","","","","","1.091","","","","has coordinates,has disorder","301851","2025-08-21","20:32:39",""
"7051880","7.931","0.002","10.798","0.003","11.948","0.003","96.264","0.004","105.987","0.003","95.939","0.003","968.2","0.4","125","2","125","2","","","","","","","","5","P -1","-P 1","2","","","","- C38.48 H32.95 Cl0.48 O6 S6 -","- C38.48 H32.96 Cl0.48 O6 S6 -","- C38.48 H32.96 Cl0.48 O6 S6 -","1","0.5","","Burchell, Tara J.; Enright, Gary D.; Ripmeester, John A.","Guest capture, storage and removal in the TATM host framework: a single-crystal study","New Journal of Chemistry","2008","32","5","864","","10.1039/b718592h","","","0.71073","MoKα","","0.0824","0.0625","","","0.1421","0.1511","","","","","","1.156","","","","has coordinates,has disorder","180072","2020-10-21","18:00:00",""
"7051881","7.964","0.004","10.792","0.005","12.002","0.006","96.368","0.006","106.028","0.006","95.933","0.006","975.6","0.8","125","2","125","2","","","","","","","","5","P -1","-P 1","2","","","","- C38.42 H32.84 Cl0.42 O6 S6 -","- C38.42 H32.84 Cl0.42 O6 S6 -","- C38.42 H32.84 Cl0.42 O6 S6 -","1","0.5","","Burchell, Tara J.; Enright, Gary D.; Ripmeester, John A.","Guest capture, storage and removal in the TATM host framework: a single-crystal study","New Journal of Chemistry","2008","32","5","864","","10.1039/b718592h","","","0.71073","MoKα","","0.1134","0.0903","","","0.2144","0.2275","","","","","","1.195","","","","has coordinates,has disorder","180072","2020-10-21","18:00:00",""
"7051882","7.9498","0.0016","10.739","0.002","11.936","0.002","95.861","0.003","106.164","0.002","95.609","0.003","965.1","0.3","125","2","125","2","","","","","","","","5","P -1","-P 1","2","","","","- C38.12 H32.25 Cl0.12 O6 S6 -","- C38.12 H32.24 Cl0.12 O6 S6 -","- C38.12 H32.24 Cl0.12 O6 S6 -","1","0.5","","Burchell, Tara J.; Enright, Gary D.; Ripmeester, John A.","Guest capture, storage and removal in the TATM host framework: a single-crystal study","New Journal of Chemistry","2008","32","5","864","","10.1039/b718592h","","","0.71073","MoKα","","0.0726","0.044","","","0.1015","0.1137","","","","","","1.047","","","","has coordinates,has disorder","180072","2020-10-21","18:00:00",""
"7051883","8.1097","0.0008","10.5562","0.001","12.3382","0.0012","94.864","0.002","107.949","0.002","95.909","0.002","991.89","0.17","125","2","125","2","","","","","","","","4","P -1","-P 1","2","","","","- C41 H38 O7 S6 -","- C41 H38 O7 S6 -","- C41 H38 O7 S6 -","1","0.5","","Burchell, Tara J.; Enright, Gary D.; Ripmeester, John A.","Guest capture, storage and removal in the TATM host framework: a single-crystal study","New Journal of Chemistry","2008","32","5","864","","10.1039/b718592h","","","0.71073","MoKα","","0.055","0.037","","","0.0898","0.0996","","","","","","1.017","","","","has coordinates,has disorder","301851","2025-08-21","20:32:39",""
"7051884","8.097","0.0012","10.5845","0.0015","12.3055","0.0018","95.02","0.003","107.818","0.002","95.907","0.002","990.8","0.2","125","2","125","2","","","","","","","","4","P -1","-P 1","2","","","","- C40.52 H37.04 O6.84 S6 -","- C40.52 H37.04 O6.84 S6 -","- C40.52 H37.04 O6.84 S6 -","1","0.5","","Burchell, Tara J.; Enright, Gary D.; Ripmeester, John A.","Guest capture, storage and removal in the TATM host framework: a single-crystal study","New Journal of Chemistry","2008","32","5","864","","10.1039/b718592h","","","0.71073","MoKα","","0.064","0.0529","","","0.1421","0.1506","","","","","","1.05","","","","has coordinates,has disorder","301851","2025-08-21","20:32:39",""
"7051885","8.1018","0.0006","10.5888","0.0008","12.3159","0.0009","94.999","0.001","107.765","0.001","95.96","0.001","992.84","0.13","125","2","125","2","","","","","","","","4","P -1","-P 1","2","","","","- C41 H38 O7 S6 -","- C41 H38 O7 S6 -","- C41 H38 O7 S6 -","1","0.5","","Burchell, Tara J.; Enright, Gary D.; Ripmeester, John A.","Guest capture, storage and removal in the TATM host framework: a single-crystal study","New Journal of Chemistry","2008","32","5","864","","10.1039/b718592h","","","0.71073","MoKα","","0.0531","0.0403","","","0.1094","0.1214","","","","","","1.02","","","","has coordinates,has disorder","301851","2025-08-21","20:32:39",""
"7051886","8.0791","0.001","10.6375","0.0013","12.2629","0.0015","95.24","0.002","107.497","0.002","95.945","0.003","991.4","0.2","125","2","125","2","","","","","","","","4","P -1","-P 1","2","","","","- C40.4 H36.8 O6.8 S6 -","- C40.4 H36.8 O6.8 S6 -","- C40.4 H36.8 O6.8 S6 -","1","0.5","","Burchell, Tara J.; Enright, Gary D.; Ripmeester, John A.","Guest capture, storage and removal in the TATM host framework: a single-crystal study","New Journal of Chemistry","2008","32","5","864","","10.1039/b718592h","","","0.71073","MoKα","","0.0413","0.037","","","0.097","0.1003","","","","","","1.045","","","","has coordinates,has disorder","301851","2025-08-21","20:32:39",""
"7051887","8.1349","0.0006","10.51","0.0008","12.3775","0.0009","94.624","0.001","108.274","0.001","95.778","0.001","992.7","0.13","125","2","125","2","","","","","","","","4","P -1","-P 1","2","","","","- C40.88 H37.76 O6.96 S6 -","- C40.88 H37.76 O6.96 S6 -","- C40.88 H37.76 O6.96 S6 -","1","0.5","","Burchell, Tara J.; Enright, Gary D.; Ripmeester, John A.","Guest capture, storage and removal in the TATM host framework: a single-crystal study","New Journal of Chemistry","2008","32","5","864","","10.1039/b718592h","","","0.71073","MoKα","","0.0408","0.0325","","","0.0872","0.0937","","","","","","1.031","","","","has coordinates,has disorder","301851","2025-08-21","20:32:39",""
"7051888","8.032","0.004","10.645","0.005","12.144","0.006","95.345","0.006","107.251","0.006","95.81","0.006","978.2","0.8","125","2","125","2","","","","","","","","4","P -1","-P 1","2","","","","- C39.8 H35.6 O6.6 S6 -","- C39.8 H35.6 O6.6 S6 -","- C39.8 H35.6 O6.6 S6 -","1","0.5","","Burchell, Tara J.; Enright, Gary D.; Ripmeester, John A.","Guest capture, storage and removal in the TATM host framework: a single-crystal study","New Journal of Chemistry","2008","32","5","864","","10.1039/b718592h","","","0.71073","MoKα","","0.0791","0.0594","","","0.1206","0.1267","","","","","","1.149","","","","has coordinates,has disorder","301851","2025-08-21","20:32:39",""
"7051889","7.99","0.003","10.661","0.004","12.05","0.004","95.542","0.005","106.816","0.004","95.76","0.005","969","0.6","125","2","125","2","","","","","","","","4","P -1","-P 1","2","","","","- C39.2 H34.4 O6.4 S6 -","- C39.2 H34.4 O6.4 S6 -","- C39.2 H34.4 O6.4 S6 -","1","0.5","","Burchell, Tara J.; Enright, Gary D.; Ripmeester, John A.","Guest capture, storage and removal in the TATM host framework: a single-crystal study","New Journal of Chemistry","2008","32","5","864","","10.1039/b718592h","","","0.71073","MoKα","","0.0999","0.059","","","0.1192","0.131","","","","","","1.102","","","","has coordinates,has disorder","301851","2025-08-21","20:32:39",""
"7051890","7.9572","0.0017","10.694","0.002","11.958","0.003","95.691","0.003","106.43","0.003","95.669","0.003","962.6","0.4","125","2","125","2","","","","","","","","4","P -1","-P 1","2","","","","- C38.72 H33.44 O6.24 S6 -","- C38.72 H33.44 O6.24 S6 -","- C38.72 H33.44 O6.24 S6 -","1","0.5","","Burchell, Tara J.; Enright, Gary D.; Ripmeester, John A.","Guest capture, storage and removal in the TATM host framework: a single-crystal study","New Journal of Chemistry","2008","32","5","864","","10.1039/b718592h","","","0.71073","MoKα","","0.0598","0.0354","","","0.072","0.0803","","","","","","1.061","","","","has coordinates,has disorder","301851","2025-08-21","20:32:39",""
"7051891","11.518","0.002","19.205","0.004","14.668","0.003","90","","103.02","0.03","90","","3161.2","1.1","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C64 H96 Cl2 In2 N6 -","- C64 H96 Cl2 In2 N6 -","- C128 H192 Cl4 In4 N12 -","2","0.5","","Jin, Guoxia; Jones, Cameron; Junk, Peter C.; Stasch, Andreas; Woodul, William D.","Group 13 metal(i) and (ii) guanidinate complexes: effect of ligand backbone on metal oxidation state and coordination sphere","New Journal of Chemistry","2008","32","5","835","","10.1039/b718799h","","","0.71073","MoKα","","0.0711","0.0455","","","0.1083","0.1193","","","","","","1.049","","","","has coordinates","180072","2020-10-21","18:00:00",""
"7051892","12.5767","0.0018","12.5767","0.0018","23.27","0.005","90","","90","","90","","3680.7","1.1","150","2","150","2","","","","","","","","5","P 42/n :2","-P 4bc","86","","","","- C37 H56 Ga I2 N3 -","- C37 H56 Ga I2 N3 -","- C148 H224 Ga4 I8 N12 -","4","0.5","","Jin, Guoxia; Jones, Cameron; Junk, Peter C.; Stasch, Andreas; Woodul, William D.","Group 13 metal(i) and (ii) guanidinate complexes: effect of ligand backbone on metal oxidation state and coordination sphere","New Journal of Chemistry","2008","32","5","835","","10.1039/b718799h","","","0.71073","MoKα","","0.1085","0.067","","","0.1095","0.1216","","","","","","1.034","","","","has coordinates","180072","2020-10-21","18:00:00",""
"7051893","17.94","0.004","17.922","0.004","20.153","0.004","90","","107.01","0.03","90","","6196","3","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C32 H48 N3 Tl -","- C32 H48 N3 Tl -","- C256 H384 N24 Tl8 -","8","2","","Jin, Guoxia; Jones, Cameron; Junk, Peter C.; Stasch, Andreas; Woodul, William D.","Group 13 metal(i) and (ii) guanidinate complexes: effect of ligand backbone on metal oxidation state and coordination sphere","New Journal of Chemistry","2008","32","5","835","","10.1039/b718799h","","","0.71073","MoKα","","0.0633","0.0369","","","0.0651","0.0725","","","","","","1.026","","","","has coordinates","180072","2020-10-21","18:00:00",""
"7051894","9.844","0.005","12.034","0.005","16.117","0.005","82.34","0.005","79.94","0.005","68.729","0.005","1746.7","1.3","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C37 H56 N2 P Tl -","- C37 H56 N2 P Tl -","- C74 H112 N4 P2 Tl2 -","2","1","","Jin, Guoxia; Jones, Cameron; Junk, Peter C.; Stasch, Andreas; Woodul, William D.","Group 13 metal(i) and (ii) guanidinate complexes: effect of ligand backbone on metal oxidation state and coordination sphere","New Journal of Chemistry","2008","32","5","835","","10.1039/b718799h","","","0.71069","MoKα","","0.0511","0.0371","","","0.07","0.0748","","","","","","1.044","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7051895","14.424","0.003","22.313","0.005","22.538","0.005","116.69","0.03","97.26","0.03","96.81","0.03","6302","3","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C62 H96 Cl2 In2 N6 -","- C62 H96 Cl2 In2 N6 -","- C248 H384 Cl8 In8 N24 -","4","2","","Jin, Guoxia; Jones, Cameron; Junk, Peter C.; Stasch, Andreas; Woodul, William D.","Group 13 metal(i) and (ii) guanidinate complexes: effect of ligand backbone on metal oxidation state and coordination sphere","New Journal of Chemistry","2008","32","5","835","","10.1039/b718799h","","","0.71073","MoKα","","0.1398","0.1049","","","0.2252","0.2388","","","","","","1.159","","","","has coordinates","180072","2020-10-21","18:00:00",""
"7051896","17.298","0.004","11.948","0.002","15.609","0.003","90","","102.04","0.03","90","","3155","1.1","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C32 H48 In N3 -","- C32 H34 In N3 -","- C128 H136 In4 N12 -","4","0.5","","Jin, Guoxia; Jones, Cameron; Junk, Peter C.; Stasch, Andreas; Woodul, William D.","Group 13 metal(i) and (ii) guanidinate complexes: effect of ligand backbone on metal oxidation state and coordination sphere","New Journal of Chemistry","2008","32","5","835","","10.1039/b718799h","","","0.71073","MoKα","","0.0464","0.0394","","","0.1055","0.1098","","","","","","1.058","","","","has coordinates","180072","2020-10-21","18:00:00",""
"7051897","9.866","0.005","12.021","0.005","16.135","0.005","82.804","0.005","80.474","0.005","68.833","0.005","1755.4","1.3","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C37 H56 In N2 P -","- C37 H56 In N2 P -","- C74 H112 In2 N4 P2 -","2","1","","Jin, Guoxia; Jones, Cameron; Junk, Peter C.; Stasch, Andreas; Woodul, William D.","Group 13 metal(i) and (ii) guanidinate complexes: effect of ligand backbone on metal oxidation state and coordination sphere","New Journal of Chemistry","2008","32","5","835","","10.1039/b718799h","","","0.71069","MoKα","","0.0412","0.0326","","","0.0768","0.0807","","","","","","1.04","","","","has coordinates","180072","2020-10-21","18:00:00",""
"7051898","14.425","0.003","11.625","0.002","18.247","0.004","90","","104.28","0.03","90","","2965.3","1.1","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C31 H48 N3 Tl -","- C31 H48 N3 Tl -","- C124 H192 N12 Tl4 -","4","1","","Jin, Guoxia; Jones, Cameron; Junk, Peter C.; Stasch, Andreas; Woodul, William D.","Group 13 metal(i) and (ii) guanidinate complexes: effect of ligand backbone on metal oxidation state and coordination sphere","New Journal of Chemistry","2008","32","5","835","","10.1039/b718799h","","","0.71073","MoKα","","0.0348","0.0269","","","0.0549","0.0575","","","","","","1.026","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7051899","13.7015","0.0008","14.3052","0.0015","32.13","0.004","90","","95.576","0.008","90","","6267.8","1.1","100","2","100","2","","","","","","","","4","P 1 n 1","P -2yac","7","","","","- C187 H116 N8 Ni2 -","- C187 H116 N8 Ni2 -","- C374 H232 N16 Ni4 -","2","1","","Norret, Marck; Makha, Mohamed; Sobolev, Alexandre N.; Raston, Colin L.","Controlling the confinement of fullerene C60 molecules using a saddle shape Ni(ii) macrocycle","New Journal of Chemistry","2008","32","5","808","","10.1039/b718937k","","","0.71073","MoKα","","0.1167","0.0671","","","0.1531","0.1736","","","","","","1.042","","","","has coordinates","180072","2020-10-21","18:00:00",""
"7051900","7.9746","0.0016","24.528","0.007","20.765","0.004","90","","92.928","0.016","90","","4056.4","1.6","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C53 H46 N4 Ni -","- C53 H46 N4 Ni -","- C212 H184 N16 Ni4 -","4","1","","Norret, Marck; Makha, Mohamed; Sobolev, Alexandre N.; Raston, Colin L.","Controlling the confinement of fullerene C60 molecules using a saddle shape Ni(ii) macrocycle","New Journal of Chemistry","2008","32","5","808","","10.1039/b718937k","","","0.71073","MoKα","","0.1207","0.0721","","","0.1934","0.2301","","","","","","1.001","","","","has coordinates,has disorder","180073","2020-10-21","18:00:00",""
"7051901","6.793","0.002","11.479","0.005","11.615","0.004","117.05","0.04","93.32","0.03","105.24","0.03","761.5","0.6","150","","150","","","","","","","","","4","P -1","-P 1","2","","","","- C13 H20 N4 O5 -","- C13 H20 N4 O5 -","- C26 H40 N8 O10 -","2","1","","Formica, Mauro; Fusi, Vieri; Macedi, Eleonora; Paoli, Paola; Piersanti, Giovanni; Rossi, Patrizia; Zappia, Giovanni; Orlando, Pierfrancesco","New branched macrocyclic ligand and its side-arm, two urea-based receptors for anions: synthesis, binding studies and crystal structure","New Journal of Chemistry","2008","32","7","1204","","10.1039/b719342d","","","0.71073","MoKα","","0.0949","0.0454","","","0.0988","0.1087","","","","","","0.818","","","","has coordinates","301851","2025-08-21","20:32:39",""
"7051902","11.0581","0.0003","13.2036","0.0003","18.3085","0.0005","99.027","0.001","104.128","0.001","102.882","0.001","2463.12","0.11","100","2","100","2","","","","","","","synthesized","5","P -1","-P 1","2","","","","- C27 H30 Cl N3 O4 -","- C27 H30 Cl N3 O4 -","- C108 H120 Cl4 N12 O16 -","4","2","","Gassensmith, Jeremiah J.; Lee, Jung-Jae; Noll, Bruce C.; Smith, Bradley D.","Crossing the threshold from accelerated substitution to elimination with a bifunctional macrocycle","New Journal of Chemistry","2008","32","5","843","","10.1039/b719658j","","x-ray","0.71073","MoKα","","0.0744","0.0639","","","0.1718","0.1765","","","","","","1.109","","","","has coordinates,has disorder","301851","2025-08-21","20:32:39",""
"7051903","15.4637","0.0011","12.5622","0.0009","14.7103","0.0011","90","","90.469","0.001","90","","2857.5","0.4","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","[C2mim]3[PrCl6]","","","- C18 H33 Cl6 N6 Pr -","- C18 H33 Cl6 N6 Pr -","- C72 H132 Cl24 N24 Pr4 -","4","1","","Hines, C. Corey; Cordes, David B.; Griffin, Scott T.; Watts, Savannah I.; Cocalia, Violina A.; Rogers, Robin D.","Flexible coordination environments of lanthanide complexes grown from chloride-based ionic liquids","New Journal of Chemistry","2008","32","5","872","","10.1039/b800045j","","","0.71073","MoKα","","0.078","0.0409","","","0.0569","0.0637","","","","","","1.059","","","","has coordinates","180073","2020-10-21","18:00:00",""
"7051904","15.459","0.0012","12.5543","0.001","14.7119","0.0011","90","","90.499","0.002","90","","2855.1","0.4","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","[C2mim]3[NdCl6]","","","- C18 H33 Cl6 N6 Nd -","- C18 H33 Cl6 N6 Nd -","- C72 H132 Cl24 N24 Nd4 -","4","1","","Hines, C. Corey; Cordes, David B.; Griffin, Scott T.; Watts, Savannah I.; Cocalia, Violina A.; Rogers, Robin D.","Flexible coordination environments of lanthanide complexes grown from chloride-based ionic liquids","New Journal of Chemistry","2008","32","5","872","","10.1039/b800045j","","","0.71073","MoKα","","0.0544","0.0272","","","0.0483","0.0539","","","","","","1.011","","","","has coordinates","180073","2020-10-21","18:00:00",""
"7051905","15.4235","0.001","12.5234","0.0008","14.6633","0.001","90","","90.507","0.001","90","","2832.2","0.3","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","[C2mim]3[SmCl6]","","","- C18 H33 Cl6 N6 Sm -","- C18 H33 Cl6 N6 Sm -","- C72 H132 Cl24 N24 Sm4 -","4","1","","Hines, C. Corey; Cordes, David B.; Griffin, Scott T.; Watts, Savannah I.; Cocalia, Violina A.; Rogers, Robin D.","Flexible coordination environments of lanthanide complexes grown from chloride-based ionic liquids","New Journal of Chemistry","2008","32","5","872","","10.1039/b800045j","","","0.71073","MoKα","","0.0695","0.0327","","","0.0521","0.0585","","","","","","1.013","","","","has coordinates","180073","2020-10-21","18:00:00",""
"7051906","15.4175","0.001","12.525","0.0008","14.6565","0.0009","90","","90.508","0.001","90","","2830.1","0.3","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","[C2mim]3[EuCl6]","","","- C18 H33 Cl6 Eu N6 -","- C18 H33 Cl6 Eu N6 -","- C72 H132 Cl24 Eu4 N24 -","4","1","","Hines, C. Corey; Cordes, David B.; Griffin, Scott T.; Watts, Savannah I.; Cocalia, Violina A.; Rogers, Robin D.","Flexible coordination environments of lanthanide complexes grown from chloride-based ionic liquids","New Journal of Chemistry","2008","32","5","872","","10.1039/b800045j","","","0.71073","MoKα","","0.0584","0.0262","","","0.0447","0.0508","","","","","","0.997","","","","has coordinates","180073","2020-10-21","18:00:00",""
"7051907","15.4112","0.0011","12.5133","0.0009","14.6384","0.001","90","","90.501","0.001","90","","2822.8","0.3","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","[C2mim]3[GdCl6]","","","- C18 H33 Cl6 Gd N6 -","- C18 H33 Cl6 Gd N6 -","- C72 H132 Cl24 Gd4 N24 -","4","1","","Hines, C. Corey; Cordes, David B.; Griffin, Scott T.; Watts, Savannah I.; Cocalia, Violina A.; Rogers, Robin D.","Flexible coordination environments of lanthanide complexes grown from chloride-based ionic liquids","New Journal of Chemistry","2008","32","5","872","","10.1039/b800045j","","","0.71073","MoKα","","0.0503","0.0275","","","0.0488","0.0547","","","","","","1.015","","","","has coordinates","180073","2020-10-21","18:00:00",""
"7051908","9.7573","0.0008","10.5481","0.0008","33.524","0.003","90","","91.571","0.001","90","","3449","0.5","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","[C4mim][GdCl6]","","","- C24 H45 Cl6 Gd N6 -","- C24 H45 Cl6 Gd N6 -","- C96 H180 Cl24 Gd4 N24 -","4","1","","Hines, C. Corey; Cordes, David B.; Griffin, Scott T.; Watts, Savannah I.; Cocalia, Violina A.; Rogers, Robin D.","Flexible coordination environments of lanthanide complexes grown from chloride-based ionic liquids","New Journal of Chemistry","2008","32","5","872","","10.1039/b800045j","","","0.71073","MoKα","","0.0487","0.0313","","","0.0572","0.0605","","","","","","1.021","","","","has coordinates,has disorder","180073","2020-10-21","18:00:00",""
"7051909","8.5556","0.0005","8.7213","0.0005","18.6748","0.0011","76.743","0.001","87.775","0.001","61.121","0.001","1183.4","0.12","173","2","173","2","","","","","","","","6","P -1","-P 1","2","(Gd(OH2)4)2([C2mim]Cl)","","","- C12 H30 Cl5 Gd N4 O4 -","- C12 H30 Cl5 Gd N4 O4 -","- C24 H60 Cl10 Gd2 N8 O8 -","2","1","","Hines, C. Corey; Cordes, David B.; Griffin, Scott T.; Watts, Savannah I.; Cocalia, Violina A.; Rogers, Robin D.","Flexible coordination environments of lanthanide complexes grown from chloride-based ionic liquids","New Journal of Chemistry","2008","32","5","872","","10.1039/b800045j","","","0.71073","MoKα","","0.0333","0.028","","","0.068","0.0701","","","","","","1.022","","","","has coordinates","180073","2020-10-21","18:00:00",""
"7051910","15.7823","0.0007","8.7508","0.0004","19.8826","0.0009","90","","90","","90","","2745.9","0.2","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C20 H12 N2 -","- C20 H12 N2 -","- C160 H96 N16 -","8","1","","Bazzini, Cristina; Caronna, Tullio; Fontana, Francesca; Macchi, Piero; Mele, Andrea; Natali Sora, Isabella; Panzeri, Walter; Sironi, Angelo","Synthesis, crystal structure and crystal packing of diaza[5]helicenes","New Journal of Chemistry","2008","32","10","1710","","10.1039/b800050f","","","0.71069","MoKα","","0.0833","0.0806","","","0.1721","0.1736","","","","","","1.303","","","","has coordinates","301851","2025-08-21","20:32:39",""
"7051911","18.4176","0.0019","13.8286","0.0014","11.2744","0.0012","90","","107.01","0.002","90","","2745.9","0.5","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H12 N2 -","- C20 H12 N2 -","- C160 H96 N16 -","8","2","","Bazzini, Cristina; Caronna, Tullio; Fontana, Francesca; Macchi, Piero; Mele, Andrea; Natali Sora, Isabella; Panzeri, Walter; Sironi, Angelo","Synthesis, crystal structure and crystal packing of diaza[5]helicenes","New Journal of Chemistry","2008","32","10","1710","","10.1039/b800050f","","","0.71069","MoKα","","0.1075","0.0486","","","0.1217","0.1489","","","","","","1.029","","","","has coordinates","301851","2025-08-21","20:32:39",""
"7051912","20.352","0.0006","9.0912","0.0003","7.54","0.0002","90","","92.28","0.001","90","","1393.98","0.07","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C20 H12 N2 -","- C20 H12 N2 -","- C80 H48 N8 -","4","0.5","","Bazzini, Cristina; Caronna, Tullio; Fontana, Francesca; Macchi, Piero; Mele, Andrea; Natali Sora, Isabella; Panzeri, Walter; Sironi, Angelo","Synthesis, crystal structure and crystal packing of diaza[5]helicenes","New Journal of Chemistry","2008","32","10","1710","","10.1039/b800050f","","","0.71069","MoKα","","0.151","0.0553","","","0.1256","0.1768","","","","","","1.01","","","","has coordinates","301851","2025-08-21","20:32:39",""
"7051913","16.0623","0.0011","7.8336","0.0005","21.4841","0.0014","90","","90","","90","","2703.3","0.3","293","2","293","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- C20 H12 N2 -","- C20 H12 N2 -","- C160 H96 N16 -","8","1","","Bazzini, Cristina; Caronna, Tullio; Fontana, Francesca; Macchi, Piero; Mele, Andrea; Natali Sora, Isabella; Panzeri, Walter; Sironi, Angelo","Synthesis, crystal structure and crystal packing of diaza[5]helicenes","New Journal of Chemistry","2008","32","10","1710","","10.1039/b800050f","","","0.71069","MoKα","","0.0583","0.0391","","","0.1028","0.1172","","","","","","1.017","","","","has coordinates","301851","2025-08-21","20:32:39",""
"7051914","13.9335","0.0019","5.8691","0.001","17.354","0.002","90","","104.734","0.003","90","","1372.5","0.3","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C20 H12 N2 -","- C20 H12 N2 -","- C80 H48 N8 -","4","1","","Bazzini, Cristina; Caronna, Tullio; Fontana, Francesca; Macchi, Piero; Mele, Andrea; Natali Sora, Isabella; Panzeri, Walter; Sironi, Angelo","Synthesis, crystal structure and crystal packing of diaza[5]helicenes","New Journal of Chemistry","2008","32","10","1710","","10.1039/b800050f","","","0.71069","MoKα","","0.0763","0.0532","","","0.1353","0.1515","","","","","","1.131","","","","has coordinates,has disorder","301851","2025-08-21","20:32:39",""
"7051915","9.957","0.003","22.606","0.006","6.2052","0.0016","90","","104.21","0.01","90","","1354","0.6","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H12 N2 -","- C20 H12 N2 -","- C80 H48 N8 -","4","1","","Bazzini, Cristina; Caronna, Tullio; Fontana, Francesca; Macchi, Piero; Mele, Andrea; Natali Sora, Isabella; Panzeri, Walter; Sironi, Angelo","Synthesis, crystal structure and crystal packing of diaza[5]helicenes","New Journal of Chemistry","2008","32","10","1710","","10.1039/b800050f","","","0.71069","MoKα","","0.1428","0.063","","","0.143","0.1845","","","","","","0.933","","","","has coordinates,has disorder","180073","2020-10-21","18:00:00",""
"7051916","33.167","0.007","9.954","0.002","14.988","0.003","90","","110.91","0.03","90","","4622.3","1.9","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","cis,cis-1,3,5-cyclohexanetricarboxylic acid - 4,4'-bipyridine - 1,2-bis(4-pyridyl)ethane","","- C25 H26 N3 O6 -","- C25 H26 N3 O6 -","- C200 H208 N24 O48 -","8","1","","Bhogala, Balakrishna R.; Nangia, Ashwini","Ternary and quaternary co-crystals of 1,3-cis,5-cis-cyclohexanetricarboxylic acid and 4,4′-bipyridines","New Journal of Chemistry","2008","32","5","800","","10.1039/b800293b","","","0.71073","MoKα","","0.1025","0.053","","","0.1122","0.1425","","","","","","1.064","","","","has coordinates","180073","2020-10-21","18:00:00",""
"7051917","10.511","0.0014","11.9877","0.0015","19.72","0.003","90","","92.511","0.002","90","","2482.4","0.6","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","cis,cis-1,3,5-cyclohexanetricarboxylic acid - 1,2-bis(4-pyridyl)ethylene - 1,2-bis(4-pyridyl)ethane","","- C27 H28 N3 O6 -","- C27 H28 N3 O6 -","- C108 H112 N12 O24 -","4","1","","Bhogala, Balakrishna R.; Nangia, Ashwini","Ternary and quaternary co-crystals of 1,3-cis,5-cis-cyclohexanetricarboxylic acid and 4,4′-bipyridines","New Journal of Chemistry","2008","32","5","800","","10.1039/b800293b","","","0.71073","MoKα","","0.1775","0.1154","","","0.2787","0.3229","","","","","","1.031","","","","has coordinates","301851","2025-08-21","20:32:39",""
"7051918","11.2591","0.0016","11.8962","0.0017","20.253","0.003","90","","95.554","0.003","90","","2700","0.7","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","cis,cis-1,3,5-cyclohexanetricarboxylic acid - 1-bromo-1,2-bis(4-pyridyl)ethylene - 1,2-dibromo-1,2-bis(4-pyridyl)ethane","","- C27 H26 Br2 N3 O6 -","- C27 H26 Br2 N3 O6 -","- C108 H104 Br8 N12 O24 -","4","1","","Bhogala, Balakrishna R.; Nangia, Ashwini","Ternary and quaternary co-crystals of 1,3-cis,5-cis-cyclohexanetricarboxylic acid and 4,4′-bipyridines","New Journal of Chemistry","2008","32","5","800","","10.1039/b800293b","","","0.71073","MoKα","","0.0861","0.0475","","","0.1148","0.1316","","","","","","1.029","","","","has coordinates,has disorder","301851","2025-08-21","20:32:39",""
"7051919","11.328","0.003","11.837","0.003","20.015","0.005","90","","94.448","0.004","90","","2675.7","1.2","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","cis,cis-1,3,5-cyclohexanetricarboxylic acid - 1,2-bis(4-pyridyl)ethane - 1-bromo-1,2-bis(4-pyridyl)ethylene - 1,2-dibromo-1,2-bis(4-pyridyl)ethane","","- C27 H29 Br1.18 N3 O6 -","- C27 H29 Br1.182 N3 O6 -","- C108 H116 Br4.728 N12 O24 -","4","1","","Bhogala, Balakrishna R.; Nangia, Ashwini","Ternary and quaternary co-crystals of 1,3-cis,5-cis-cyclohexanetricarboxylic acid and 4,4′-bipyridines","New Journal of Chemistry","2008","32","5","800","","10.1039/b800293b","","","0.71073","MoKα","","0.1565","0.0648","","","0.1471","0.1816","","","","","","1.005","","","","has coordinates","180073","2020-10-21","18:00:00",""
"7051920","11.678","0.002","14.124","0.003","17.964","0.003","83.231","0.002","83.523","0.002","79.704","0.002","2882.2","0.9","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","cis,cis-1,3,5-cyclohexanetricarboxylic acid - 1,2-bis(4-pyridyl)ethane - 1,4-bis(4-pyridyl)butane","","- C63 H72 N7 O12 -","- C63 N7 O12 -","- C126 N14 O24 -","2","1","","Bhogala, Balakrishna R.; Nangia, Ashwini","Ternary and quaternary co-crystals of 1,3-cis,5-cis-cyclohexanetricarboxylic acid and 4,4′-bipyridines","New Journal of Chemistry","2008","32","5","800","","10.1039/b800293b","","","0.71073","MoKα","","0.1956","0.1707","","","0.4327","0.4621","","","","","","1.856","","","","has coordinates","180073","2020-10-21","18:00:00",""
"7051921","5.711","0.0004","14.1003","0.001","18.396","0.0013","86.1","0.001","84.56","0.001","82.123","0.001","1458.51","0.18","100","2","373","2","","","","","","","","4","P -1","-P 1","2","","cis,cis-1,3,5-cyclohexanetricarboxylic acid - 1,2-bis(4-pyridyl)ethane - 1,4-bis(4-pyridyl)butane - p-xylene","","- C32 H37 N3 O6 -","- C32 H37 N3 O6 -","- C64 H74 N6 O12 -","2","1","","Bhogala, Balakrishna R.; Nangia, Ashwini","Ternary and quaternary co-crystals of 1,3-cis,5-cis-cyclohexanetricarboxylic acid and 4,4′-bipyridines","New Journal of Chemistry","2008","32","5","800","","10.1039/b800293b","","","0.71073","MoKα","","0.0722","0.0641","","","0.1637","0.1704","","","","","","1.04","","","","has coordinates","180073","2020-10-21","18:00:00",""
"7051922","5.6882","0.0007","14.0309","0.0018","18.39","0.002","85.767","0.002","84.034","0.002","81.877","0.002","1442.5","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","cis,cis-1,3,5-cyclohexanetricarboxylic acid - 1,2-bis(4-pyridyl)ethane - 1,4-bis(4-pyridyl)butane - 1,4-dichlorobenzene","","- C31 H34 Cl N3 O6 -","- C31 H34 Cl N3 O6 -","- C62 H68 Cl2 N6 O12 -","2","1","","Bhogala, Balakrishna R.; Nangia, Ashwini","Ternary and quaternary co-crystals of 1,3-cis,5-cis-cyclohexanetricarboxylic acid and 4,4′-bipyridines","New Journal of Chemistry","2008","32","5","800","","10.1039/b800293b","","","0.71073","MoKα","","0.064","0.0479","","","0.1046","0.1134","","","","","","1.034","","","","has coordinates,has disorder","301851","2025-08-21","20:32:39",""
"7051923","5.7049","0.0006","14.0883","0.0016","18.287","0.002","85.834","0.002","82.96","0.002","82.027","0.002","1442.3","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","cis,cis-1,3,5-cyclohexanetricarboxylic acid - 1,2-bis(4-pyridyl)ethane - 1,4-bis(4-pyridyl)butane - o-xylene","","- C64 H74 N6 O12 -","- C64 H74 N6 O12 -","- C64 H74 N6 O12 -","1","0.5","","Bhogala, Balakrishna R.; Nangia, Ashwini","Ternary and quaternary co-crystals of 1,3-cis,5-cis-cyclohexanetricarboxylic acid and 4,4′-bipyridines","New Journal of Chemistry","2008","32","5","800","","10.1039/b800293b","","","0.71073","MoKα","","0.0754","0.0602","","","0.1391","0.1476","","","","","","1.072","","","","has coordinates,has disorder","301851","2025-08-21","20:32:39",""
"7051924","5.7053","0.0005","14.1098","0.0013","18.266","0.0016","86.062","0.001","83.13","0.001","81.92","0.001","1443.4","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","cis,cis-1,3,5-cyclohexanetricarboxylic acid - 1,2-bis(4-pyridyl)ethane - 1,4-bis(4-pyridyl)butane - o-chlorotoluene","","- C63 H71 Cl N6 O12 -","- C63 H71 Cl N6 O12 -","- C63 H71 Cl N6 O12 -","1","0.5","","Bhogala, Balakrishna R.; Nangia, Ashwini","Ternary and quaternary co-crystals of 1,3-cis,5-cis-cyclohexanetricarboxylic acid and 4,4′-bipyridines","New Journal of Chemistry","2008","32","5","800","","10.1039/b800293b","","","0.71073","MoKα","","0.0637","0.0507","","","0.1283","0.1389","","","","","","1.042","","","","has coordinates,has disorder","180073","2020-10-21","18:00:00",""
"7051925","5.6867","0.0003","14.0676","0.0008","18.3545","0.001","88.4","0.001","86.04","0.001","81.164","0.001","1447.21","0.14","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","cis,cis-1,3,5-cyclohexanetricarboxylic acid - 1,2-bis(4-pyridyl)ethane - 1,4-bis(4-pyridyl)butane - o-dichlorobenzene","","- C31 H34 Cl N3 O6 -","- C31 H33.5 Cl N3 O6 -","- C62 H67 Cl2 N6 O12 -","2","1","","Bhogala, Balakrishna R.; Nangia, Ashwini","Ternary and quaternary co-crystals of 1,3-cis,5-cis-cyclohexanetricarboxylic acid and 4,4′-bipyridines","New Journal of Chemistry","2008","32","5","800","","10.1039/b800293b","","","0.71073","MoKα","","0.0643","0.0579","","","0.1454","0.1509","","","","","","1.045","","","","has coordinates,has disorder","180073","2020-10-21","18:00:00",""
"7051926","5.7484","0.0005","14.136","0.0012","18.1188","0.0015","85.758","0.001","83.817","0.001","81.574","0.001","1445.4","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","cis,cis-1,3,5-cyclohexanetricarboxylic acid - 1,2-bis(4-pyridyl)ethane - 1,4-bis(4-pyridyl)butane - anisole","","- C63 H72 N6 O13 -","- C63 H72 N6 O13 -","- C63 H72 N6 O13 -","1","0.5","","Bhogala, Balakrishna R.; Nangia, Ashwini","Ternary and quaternary co-crystals of 1,3-cis,5-cis-cyclohexanetricarboxylic acid and 4,4′-bipyridines","New Journal of Chemistry","2008","32","5","800","","10.1039/b800293b","","","0.71073","MoKα","","0.0586","0.0475","","","0.1171","0.1243","","","","","","1.033","","","","has coordinates,has disorder","301851","2025-08-21","20:32:39",""
"7051927","5.7311","0.0006","18.4298","0.0018","27.577","0.003","94.3","0.002","91.509","0.002","94.623","0.002","2893.6","0.5","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","cis,cis-1,3,5-cyclohexanetricarboxylic acid - 1,2-bis(4-pyridyl)ethane - 1,4-bis(4-pyridyl)butane - benzylalcohol","","- C63 H72 N6 O13 -","- C65 H64.44 N6 O14 -","- C130 H128.88 N12 O28 -","2","1","","Bhogala, Balakrishna R.; Nangia, Ashwini","Ternary and quaternary co-crystals of 1,3-cis,5-cis-cyclohexanetricarboxylic acid and 4,4′-bipyridines","New Journal of Chemistry","2008","32","5","800","","10.1039/b800293b","","","0.71073","MoKα","","0.1612","0.1128","","","0.2937","0.3377","","","","","","1.034","","","","has coordinates","180073","2020-10-21","18:00:00",""
"7051928","13.6879","0.0004","14.8842","0.0003","20.1813","0.0005","76.265","0.001","74.578","0.002","78.055","0.001","3804.53","0.17","293","2","293","2","","","","","","","","7","P -1","-P 1","2","(EDT-TTFI2)4(Mo3S7Cl6)(CH3CN)","","","- C34 H19 Cl6 I8 Mo3 N S31 -","- C34 H19 Cl6 I8 Mo3 N S31 -","- C68 H38 Cl12 I16 Mo6 N2 S62 -","2","1","","Alberola, Antonio; Fourmigué, Marc; Gómez-García, Carlos J.; Llusar, Rosa; Triguero, Sonia","Halogen bonding interactions with the [Mo3S7Cl6]2− cluster anion in the mixed valence salt [EDT-TTFI2]4[Mo3S7Cl6]·CH3CN","New Journal of Chemistry","2008","32","7","1103","","10.1039/b800298c","","","0.71073","MoKα","","0.1671","0.0624","","","0.1542","0.2348","","","","","","0.922","","","","has coordinates","180073","2020-10-21","18:00:00",""
"7051929","9.0726","0.0013","7.3982","0.0011","22.319","0.003","90","","98.604","0.002","90","","1481.2","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","CCl85d23min","","","- C28 H28 Cl4 Cu2 N8 -","- C28 H28 Cl4 Cu2 N8 -","- C56 H56 Cl8 Cu4 N16 -","2","0.5","","Dobrzańska, Liliana; Kleinhans, Dewald J.; Barbour, Leonard J.","Influence of the metal-to-ligand ratio on the formation of metal organic complexes","New Journal of Chemistry","2008","32","5","813","","10.1039/b800720a","","","0.71073","MoKα","","0.0665","0.0532","","","0.1098","0.1151","","","","","","1.114","","","","has coordinates","180073","2020-10-21","18:00:00",""
"7051930","17.992","0.003","7.671","0.0012","11.309","0.0018","90","","90","","90","","1560.8","0.4","100","2","100","2","","","","","","","","6","P n n m","-P 2 2n","58","work","","","- C30 H36 Cl2 Cu N8 O2 -","- C30 H36 Cl2 Cu N8 O2 -","- C60 H72 Cl4 Cu2 N16 O4 -","2","0.25","","Dobrzańska, Liliana; Kleinhans, Dewald J.; Barbour, Leonard J.","Influence of the metal-to-ligand ratio on the formation of metal organic complexes","New Journal of Chemistry","2008","32","5","813","","10.1039/b800720a","","","0.71073","MoKα","","0.061","0.0453","","","0.0944","0.1002","","","","","","1.123","","","","has coordinates","180073","2020-10-21","18:00:00",""
"7051931","8.683","0.002","8.762","0.002","10.844","0.002","75.252","0.004","67.904","0.004","80.906","0.004","737.5","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","work","","","- C28 H32 Br2 Cu N8 O2 -","- C28 H32 Br2 Cu N8 O2 -","- C28 H32 Br2 Cu N8 O2 -","1","0.5","","Dobrzańska, Liliana; Kleinhans, Dewald J.; Barbour, Leonard J.","Influence of the metal-to-ligand ratio on the formation of metal organic complexes","New Journal of Chemistry","2008","32","5","813","","10.1039/b800720a","","","0.71073","MoKα","","0.0853","0.0542","","","0.097","0.1063","","","","","","1.02","","","","has coordinates","180073","2020-10-21","18:00:00",""
"7051932","9.264","0.005","7.469","0.004","22.621","0.011","90","","98.926","0.009","90","","1546.3","1.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H28 Br4 Cu2 N8 -","- C28 H28 Br4 Cu2 N8 -","- C56 H56 Br8 Cu4 N16 -","2","0.5","","Dobrzańska, Liliana; Kleinhans, Dewald J.; Barbour, Leonard J.","Influence of the metal-to-ligand ratio on the formation of metal organic complexes","New Journal of Chemistry","2008","32","5","813","","10.1039/b800720a","","","0.71073","MoKα","","0.0445","0.0344","","","0.0777","0.0818","","","","","","1.009","","","","has coordinates","180073","2020-10-21","18:00:00",""
"7051933","11.336","0.005","9.369","0.004","13.865","0.006","90","","103.089","0.008","90","","1434.3","1.1","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","work","","","- C28 H28 Cu N10 O6 -","- C28 H28 Cu N10 O6 -","- C56 H56 Cu2 N20 O12 -","2","0.5","","Dobrzańska, Liliana; Kleinhans, Dewald J.; Barbour, Leonard J.","Influence of the metal-to-ligand ratio on the formation of metal organic complexes","New Journal of Chemistry","2008","32","5","813","","10.1039/b800720a","","","0.71073","MoKα","","0.0704","0.0536","","","0.1089","0.1156","","","","","","1.061","","","","has coordinates","180073","2020-10-21","18:00:00",""
"7051934","14.821","0.006","8.908","0.004","21.365","0.009","90","","93.632","0.008","90","","2815","2","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","workdew","","","- C28 H28 Cu N10 O6 -","- C28 H28 Cu N10 O6 -","- C112 H112 Cu4 N40 O24 -","4","0.5","","Dobrzańska, Liliana; Kleinhans, Dewald J.; Barbour, Leonard J.","Influence of the metal-to-ligand ratio on the formation of metal organic complexes","New Journal of Chemistry","2008","32","5","813","","10.1039/b800720a","","","0.71073","MoKα","","0.0962","0.0785","","","0.1485","0.1562","","","","","","1.177","","","","has coordinates","180073","2020-10-21","18:00:00",""
"7051935","8.7647","0.0014","10.8794","0.0017","16.984","0.003","89.797","0.003","89.368","0.003","84.603","0.003","1612.2","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","work","","","- C58 H70 Cu2 N18 O19 -","- C58 H70 Cu2 N18 O19 -","- C58 H70 Cu2 N18 O19 -","1","0.5","","Dobrzańska, Liliana; Kleinhans, Dewald J.; Barbour, Leonard J.","Influence of the metal-to-ligand ratio on the formation of metal organic complexes","New Journal of Chemistry","2008","32","5","813","","10.1039/b800720a","","","0.71073","MoKα","","0.1396","0.0811","","","0.1743","0.2005","","","","","","1.012","","","","has coordinates","180073","2020-10-21","18:00:00",""
"7051936","9.841","0.004","8.311","0.003","21.919","0.008","90","","101.047","0.007","90","","1759.5","1.2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","cNO3","","","- C14 H16 Cu N6 O7 -","- C14 H16 Cu N6 O7 -","- C56 H64 Cu4 N24 O28 -","4","1","","Dobrzańska, Liliana; Kleinhans, Dewald J.; Barbour, Leonard J.","Influence of the metal-to-ligand ratio on the formation of metal organic complexes","New Journal of Chemistry","2008","32","5","813","","10.1039/b800720a","","","0.71073","MoKα","","0.1086","0.0673","","","0.1313","0.148","","","","","","1.034","","","","has coordinates","180073","2020-10-21","18:00:00",""
"7051937","14.9066","0.0005","7.6269","0.0002","26.9624","0.001","90","","90","","90","","3065.39","0.17","150","2","150","2","","","","","","","synthesis as described","6","P b c n","-P 2n 2ab","60","","","","- C12 H10 N2 Ni O6 V2 -","- C12 H10 N2 Ni O6 V2 -","- C96 H80 N16 Ni8 O48 V16 -","8","1","","Fernández de Luis, Roberto; Mesa, José L.; Urtiaga, Miren K.; Lezama, Luis; Arriortua, María I.; Rojo, Teófilo","Topological description of a 3D self-catenated nickel hybrid vanadate Ni(bpe)(VO3)2. Thermal stability, spectroscopic and magnetic properties","New Journal of Chemistry","2008","32","9","1582","","10.1039/b800820e","","x-ray","0.71073","MoKα","","0.0569","0.0373","","","0.087","0.0917","","","","","","0.976","","","","has coordinates,has disorder","180073","2020-10-21","18:00:00",""
"7051938","18.327","0.002","14.1537","0.0014","23.511","0.003","90","","96.263","0.006","90","","6062.2","1.2","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C34 H26 B F4 N4 O3 Re -","- C34 H26 B F4 N4 O3 Re -","- C272 H208 B8 F32 N32 O24 Re8 -","8","2","","Mullice, Lucy A.; Laye, Rebecca H.; Harding, Lindsay P.; Buurma, Niklaas J.; Pope, Simon J. A.","Rhenium complexes of chromophore-appended dipicolylamine ligands: syntheses, spectroscopic properties, DNA binding and X-ray crystal structure","New Journal of Chemistry","2008","32","12","2140","","10.1039/b800999f","","","0.71073","MoKα","","0.0497","0.0285","","","0.0512","0.0572","","","","","","1.008","","","","has coordinates","180073","2020-10-21","18:00:00",""
"7051939","9.3471","0.0006","18.9283","0.0011","12.4791","0.0009","90","","101.718","0.008","90","","2161.8","0.3","213","2","213","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Copper(I) Dithionate bis(Acetonitrile) complex with 1,4-bi(pyridazin-4-yl)benzene","","- C18 H16 Cu2 N6 O6 S2 -","- C18 H16 Cu2 N6 O6 S2 -","- C72 H64 Cu8 N24 O24 S8 -","4","0.5","","Degtyarenko, Anna S.; Solntsev, Pavlo V.; Krautscheid, Harald; Rusanov, Eduard B.; Chernega, Alexander N.; Domasevitch, Konstantin V.","Copper(i) and silver(i) coordination frameworks involving extended bipyridazine bridges","New Journal of Chemistry","2008","32","11","1910","","10.1039/b801231h","","","0.71073","MoKα","","0.0351","0.0287","","","0.0729","0.0742","","","","","","0.968","","","","has coordinates","180073","2020-10-21","18:00:00",""
"7051940","12.5703","0.0009","13.7895","0.0013","14.1629","0.0012","94.203","0.011","93.205","0.011","107.835","0.01","2322.8","0.4","213","2","213","2","","","","","","","","7","P -1","-P 1","2","","Copper(I) Tetrafluoroborate 4:5 complex with 1,4-bi(pyridazin-4-yl)benzene, solvate with 4 Chloroform","","- C74 H54 B4 Cl12 Cu4 F16 N20 -","- C74 H50 B4 Cl12 Cu4 F16 N20 -","- C74 H50 B4 Cl12 Cu4 F16 N20 -","1","0.5","","Degtyarenko, Anna S.; Solntsev, Pavlo V.; Krautscheid, Harald; Rusanov, Eduard B.; Chernega, Alexander N.; Domasevitch, Konstantin V.","Copper(i) and silver(i) coordination frameworks involving extended bipyridazine bridges","New Journal of Chemistry","2008","32","11","1910","","10.1039/b801231h","","","0.71073","MoKα","","0.0754","0.0553","","","0.1486","0.1548","","","","","","0.908","","","","has coordinates","180073","2020-10-21","18:00:00",""
"7051941","8.3964","0.0002","9.5399","0.0002","12.4383","0.0003","80.0473","0.001","82.901","0.002","64.952","0.0011","887.61","0.04","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","Silver(I) nitrate 1:1 complex with 1,4-bi(pyridazin-4-yl)benzene, Chloroform solvate","","- C15 H11 Ag Cl3 N5 O3 -","- C15 H11 Ag Cl3 N5 O3 -","- C30 H22 Ag2 Cl6 N10 O6 -","2","1","","Degtyarenko, Anna S.; Solntsev, Pavlo V.; Krautscheid, Harald; Rusanov, Eduard B.; Chernega, Alexander N.; Domasevitch, Konstantin V.","Copper(i) and silver(i) coordination frameworks involving extended bipyridazine bridges","New Journal of Chemistry","2008","32","11","1910","","10.1039/b801231h","","","0.71073","MoKα","","0.0465","0.0347","","","0.0657","0.0703","","","","","","1.057","","","","has coordinates","180073","2020-10-21","18:00:00",""
"7051942","10.9059","0.001","11.1531","0.0011","13.8012","0.0013","92.62","0.011","108.916","0.011","117.522","0.01","1369.6","0.3","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","Silver(I) Trifluoroacetate 4:3 complex with 1,4-bi(pyridazin-4-yl)benzene, Acetonitrile solvate","","- C52 H33 Ag4 F12 N13 O8 -","- C52 H30 Ag4 F12 N13 O8 -","- C52 H30 Ag4 F12 N13 O8 -","1","0.5","","Degtyarenko, Anna S.; Solntsev, Pavlo V.; Krautscheid, Harald; Rusanov, Eduard B.; Chernega, Alexander N.; Domasevitch, Konstantin V.","Copper(i) and silver(i) coordination frameworks involving extended bipyridazine bridges","New Journal of Chemistry","2008","32","11","1910","","10.1039/b801231h","","","0.71073","MoKα","","0.0402","0.03","","","0.0744","0.0762","","","","","","0.889","","","","has coordinates","180073","2020-10-21","18:00:00",""
"7051943","5.5566","0.0007","10.5875","0.0013","15.419","0.002","72.987","0.01","84.721","0.011","82.058","0.011","857.82","0.19","213","2","213","2","","","","","","","","6","P -1","-P 1","2","","Silver(I) Pentafluoropropionate 1:1 complex with 1,4-bi(pyridazin-4-yl)benzene","","- C17 H10 Ag F5 N4 O2 -","- C17 H10 Ag F5 N4 O2 -","- C34 H20 Ag2 F10 N8 O4 -","2","1","","Degtyarenko, Anna S.; Solntsev, Pavlo V.; Krautscheid, Harald; Rusanov, Eduard B.; Chernega, Alexander N.; Domasevitch, Konstantin V.","Copper(i) and silver(i) coordination frameworks involving extended bipyridazine bridges","New Journal of Chemistry","2008","32","11","1910","","10.1039/b801231h","","","0.71073","MoKα","","0.0465","0.0317","","","0.0701","0.0721","","","","","","0.85","","","","has coordinates","180073","2020-10-21","18:00:00",""
"7051944","19.3101","0.0019","17.3714","0.0015","18.1903","0.0015","90","","99.346","0.005","90","","6020.8","0.9","213","2","213","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Silver(I) Methanesulfonate 4:3 complex with 1,4-bi(pyridazin-4-yl)benzene, solvate with 2 Chloroform","","- C48 H44 Ag4 Cl6 N12 O12 S4 -","- C46 H39 Ag4 N12 O12 S4 -","- C184 H156 Ag16 N48 O48 S16 -","4","1","","Degtyarenko, Anna S.; Solntsev, Pavlo V.; Krautscheid, Harald; Rusanov, Eduard B.; Chernega, Alexander N.; Domasevitch, Konstantin V.","Copper(i) and silver(i) coordination frameworks involving extended bipyridazine bridges","New Journal of Chemistry","2008","32","11","1910","","10.1039/b801231h","","","0.71073","MoKα","","0.1191","0.0932","","","0.2418","0.2555","","","","","","1.088","","","","has coordinates","180073","2020-10-21","18:00:00",""
"7051945","7.2863","0.0003","14.3867","0.0006","12.2774","0.0005","90","","90.945","0.003","90","","1286.81","0.09","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Silver(I) Benzoate 2:1 complex with 1,4-bi(pyridazin-4-yl)benzene, Hydrate","","- C28 H24 Ag2 N4 O6 -","- C28 H24 Ag2 N4 O6 -","- C56 H48 Ag4 N8 O12 -","2","0.5","","Degtyarenko, Anna S.; Solntsev, Pavlo V.; Krautscheid, Harald; Rusanov, Eduard B.; Chernega, Alexander N.; Domasevitch, Konstantin V.","Copper(i) and silver(i) coordination frameworks involving extended bipyridazine bridges","New Journal of Chemistry","2008","32","11","1910","","10.1039/b801231h","","","0.71073","MoKα","","0.0479","0.033","","","0.0637","0.0688","","","","","","1.048","","","","has coordinates","180073","2020-10-21","18:00:00",""
"7051946","9.4238","0.0006","14.2038","0.0012","14.2032","0.001","104.457","0.008","98.14","0.008","108.924","0.009","1689.3","0.3","213","2","213","2","","","","","","","","5","P -1","-P 1","2","","Silver(I) Isophthalate 1:1 complex with 1,4-bi(pyridazin-4-yl)benzene, Hydrate","","- C66 H62 Ag6 N12 O22 -","- C66 H54 Ag6 N12 O22 -","- C66 H54 Ag6 N12 O22 -","1","0.5","","Degtyarenko, Anna S.; Solntsev, Pavlo V.; Krautscheid, Harald; Rusanov, Eduard B.; Chernega, Alexander N.; Domasevitch, Konstantin V.","Copper(i) and silver(i) coordination frameworks involving extended bipyridazine bridges","New Journal of Chemistry","2008","32","11","1910","","10.1039/b801231h","","","0.71073","MoKα","","0.0654","0.0489","","","0.1161","0.1198","","","","","","0.879","","","","has coordinates","180073","2020-10-21","18:00:00",""
"7051947","37.319","0.008","15.438","0.005","21.72","0.006","90","","115.7","0.1","90","","11276","11","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C48 H45.5 Br5 Cl6 O12.25 -","- C48 H41 Br5 Cl6 O12.25 -","- C384 H328 Br40 Cl48 O98 -","8","1","","Clark, Thomas E.; Makha, Mohamed; Sobolev, Alexandre N.; Su, Dian; Rohrs, Henry; Gross, Michael L.; Atwood, Jerry L.; Raston, Colin L.","Self-organised nano-arrays of p-phosphonic acid functionalised higher order calixarenes","New Journal of Chemistry","2008","32","9","1478","","10.1039/b801256c","","","0.71073","MoKα","","0.1294","0.071","","","0.16","0.188","","","","","","1.034","","","","has coordinates,has disorder","180073","2020-10-21","18:00:00",""
"7051948","12.9938","0.0004","16.3618","0.0005","18.4136","0.0006","100.825","0.003","94.164","0.003","112.261","0.003","3513.7","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","P(O)(OEt)2-OAc-Calix(5)","","","- C65 H85 O25 P5 -","- C65 H85 O25 P5 -","- C130 H170 O50 P10 -","2","1","","Clark, Thomas E.; Makha, Mohamed; Sobolev, Alexandre N.; Su, Dian; Rohrs, Henry; Gross, Michael L.; Atwood, Jerry L.; Raston, Colin L.","Self-organised nano-arrays of p-phosphonic acid functionalised higher order calixarenes","New Journal of Chemistry","2008","32","9","1478","","10.1039/b801256c","","","1.54178","CuKα","","0.1128","0.0731","","","0.1995","0.228","","","","","","1.008","","","","has coordinates,has disorder","301851","2025-08-21","20:32:39",""
"7051949","11.347","0.002","12.878","0.002","13.849","0.002","112.802","0.002","98.427","0.002","110.792","0.002","1646.6","0.5","153","2","153","2","","","","","","","","4","P -1","-P 1","2","","","","- C70 H62 Br6 O12 -","- C70 H62 Br6 O12 -","- C70 H62 Br6 O12 -","1","0.5","","Clark, Thomas E.; Makha, Mohamed; Sobolev, Alexandre N.; Su, Dian; Rohrs, Henry; Gross, Michael L.; Atwood, Jerry L.; Raston, Colin L.","Self-organised nano-arrays of p-phosphonic acid functionalised higher order calixarenes","New Journal of Chemistry","2008","32","9","1478","","10.1039/b801256c","","","0.71073","MoKα","","0.072","0.0488","","","0.1251","0.1356","","","","","","1.008","","","","has coordinates","301851","2025-08-21","20:32:39",""
"7051950","15.701","0.002","15.946","0.002","20.01","0.002","72.218","0.002","85.667","0.002","80.292","0.002","4700.7","1","153","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C81.5 H108 O31 P6 -","- C81.5 H98 O31 P6 -","- C163 H196 O62 P12 -","2","1","","Clark, Thomas E.; Makha, Mohamed; Sobolev, Alexandre N.; Su, Dian; Rohrs, Henry; Gross, Michael L.; Atwood, Jerry L.; Raston, Colin L.","Self-organised nano-arrays of p-phosphonic acid functionalised higher order calixarenes","New Journal of Chemistry","2008","32","9","1478","","10.1039/b801256c","","","0.71073","MoKα","","0.1752","0.1346","","","0.2911","0.312","","","","","","1.142","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7051951","14.055","0.002","14.498","0.002","15.077","0.002","75.011","0.003","88.677","0.003","74.754","0.003","2859.9","0.7","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C104 H136 O40 P8 -","- C104 H136 O40 P8 -","- C104 H136 O40 P8 -","1","0.5","","Clark, Thomas E.; Makha, Mohamed; Sobolev, Alexandre N.; Su, Dian; Rohrs, Henry; Gross, Michael L.; Atwood, Jerry L.; Raston, Colin L.","Self-organised nano-arrays of p-phosphonic acid functionalised higher order calixarenes","New Journal of Chemistry","2008","32","9","1478","","10.1039/b801256c","","","0.71073","MoKα","","0.1308","0.0985","","","0.2717","0.3068","","","","","","1.05","","","","has coordinates,has disorder","301851","2025-08-21","20:32:39",""
"7051952","37.1481","0.0005","11.0741","0.0002","10.5643","0.0002","90","","92.026","0.001","90","","4343.24","0.13","293","2","293","2","","","","","","","synthesis as described","8","C 1 2/c 1","-C 2yc","15","","","","- C24 H25 Au2 Br4 Cl3 N2 O2 S12 -","- C24 H22 Au2 Br4 Cl3 N2 O2 S12 -","- C96 H88 Au8 Br16 Cl12 N8 O8 S48 -","4","0.5","","Cauliez, Pascal; Mézière, Cécile; Auban-Senzier, Pascale; Clérac, Rodolphe; Fourmigué, Marc","Square-lattice hybrid organic‒inorganic conducting layers in the τ phase of a TTF tertiary amide derivative","New Journal of Chemistry","2008","32","9","1561","","10.1039/b801464g","","x-ray","0.71073","MoKα","","0.0523","0.0423","","","0.1213","0.1305","","","","","","1.07","","","","has coordinates","180073","2020-10-21","18:00:00",""
"7051953","13.1289","0.0015","19.649","0.003","22.054","0.003","110.835","0.002","98.568","0.002","104.848","0.002","4954.8","1.2","113","2","113","2","","","","","","","","6","P -1","-P 1","2","","","","- C42.35 H46.35 Cl1.05 F6 O8 S6 -","- C42.35 H46 Cl1.05 F6 O8 S6 -","- C169.4 H184 Cl4.2 F24 O32 S24 -","4","2","","Habashneh, Almeqdad; Jablonski, Chester R.; Collins, Julie; Georghiou, Paris E.","Reactions of thiacalix[4]arene 1,3-bistriflate: formation of thiacalix[2]phenoxathiins—structural and complexation studies","New Journal of Chemistry","2008","32","9","1590","","10.1039/b801483c","","","0.7107","MoKα","","0.0944","0.0862","","","0.2452","0.255","","","","","","1.065","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7051954","10.9907","0.0013","14.3416","0.0011","15.5658","0.0008","61.816","0.009","75.573","0.013","81.851","0.013","2093.6","0.4","138","2","138","2","","","","","","","","5","P -1","-P 1","2","","","","- C41 H47 F3 O5 S5 -","- C41 H47 F3 O5 S5 -","- C82 H94 F6 O10 S10 -","2","1","","Habashneh, Almeqdad; Jablonski, Chester R.; Collins, Julie; Georghiou, Paris E.","Reactions of thiacalix[4]arene 1,3-bistriflate: formation of thiacalix[2]phenoxathiins—structural and complexation studies","New Journal of Chemistry","2008","32","9","1590","","10.1039/b801483c","","","0.7107","MoKα","","0.0973","0.0865","","","0.2274","0.2403","","","","","","1.106","","","","has coordinates","301851","2025-08-21","20:32:39",""
"7051955","13.5552","0.0009","10.8734","0.0006","14.9307","0.001","90","","111.653","0.001","90","","2045.4","0.2","113","2","113","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C46 H50 O2 S4 -","- C46 H50 O2 S4 -","- C92 H100 O4 S8 -","2","1","","Habashneh, Almeqdad; Jablonski, Chester R.; Collins, Julie; Georghiou, Paris E.","Reactions of thiacalix[4]arene 1,3-bistriflate: formation of thiacalix[2]phenoxathiins—structural and complexation studies","New Journal of Chemistry","2008","32","9","1590","","10.1039/b801483c","","","0.7107","MoKα","","0.0391","0.0388","","","0.1028","0.1034","","","","","","1.038","","","","has coordinates","301851","2025-08-21","20:32:39",""
"7051956","17.027","0.004","10.3137","0.0018","24.212","0.005","90","","117.24","0.006","90","","3780.4","1.4","113","2","113","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H12 O2 S4 -","- C24 H12 O2 S4 -","- C192 H96 O16 S32 -","8","2","","Habashneh, Almeqdad; Jablonski, Chester R.; Collins, Julie; Georghiou, Paris E.","Reactions of thiacalix[4]arene 1,3-bistriflate: formation of thiacalix[2]phenoxathiins—structural and complexation studies","New Journal of Chemistry","2008","32","9","1590","","10.1039/b801483c","","","0.7107","MoKα","","0.0544","0.0519","","","0.1231","0.1251","","","","","","1.176","","","","has coordinates","301851","2025-08-21","20:32:39",""
"7051957","12.49","0.003","16.513","0.002","21.792","0.004","90","","104.682","0.005","90","","4347.8","1.4","113","2","113","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C41 H47 F3 O6 S5 -","- C41 H47 F3 O6 S5 -","- C164 H188 F12 O24 S20 -","4","1","","Habashneh, Almeqdad; Jablonski, Chester R.; Collins, Julie; Georghiou, Paris E.","Reactions of thiacalix[4]arene 1,3-bistriflate: formation of thiacalix[2]phenoxathiins—structural and complexation studies","New Journal of Chemistry","2008","32","9","1590","","10.1039/b801483c","","","0.7107","MoKα","","0.076","0.0695","","","0.193","0.1976","","","","","","1.079","","","","has coordinates","301851","2025-08-21","20:32:39",""
"7051958","7.553","0.001","8.305","0.002","10.514","0.002","68.89","0.02","80.78","0.01","75.12","0.02","592.9","0.2","150","","150","","","","","","","","","4","P -1","-P 1","2","","","","- C15 H11 N O4 -","- C15 H11 N O4 -","- C30 H22 N2 O8 -","2","1","","Altamura, Maria; Dapporto, Paolo; Guidi, Antonio; Harmat, Nicholas J. S.; Jierry, Loïc; Libralesso, Elisa; Paoli, Paola; Rossi, Patrizia","Investigation on the flexibility of chiral tricyclic derivatives","New Journal of Chemistry","2008","32","9","1617","","10.1039/b801569d","","","0.71069","MoKα","","0.0737","0.0416","","","0.0848","0.0943","","","","","","0.895","","","","has coordinates","301851","2025-08-21","20:32:39",""
"7051959","7.768","0.0009","11.736","0.001","14.923","0.002","90","","104.66","0.01","90","","1316.2","0.3","150","","150","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C15 H11 N O3 S -","- C15 H11 N O3 S -","- C60 H44 N4 O12 S4 -","4","1","","Altamura, Maria; Dapporto, Paolo; Guidi, Antonio; Harmat, Nicholas J. S.; Jierry, Loïc; Libralesso, Elisa; Paoli, Paola; Rossi, Patrizia","Investigation on the flexibility of chiral tricyclic derivatives","New Journal of Chemistry","2008","32","9","1617","","10.1039/b801569d","","","1.54018","","","0.1361","0.0555","","","0.1117","0.1194","","","","","","0.887","","","","has coordinates","301851","2025-08-21","20:32:39",""
"7051960","8.117","0.001","8.432","0.001","11.705","0.002","108.32","0.01","90.98","0.01","99.13","0.01","748.96","0.19","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C15 H13 N O6 S -","- C15 H13 N O6 S -","- C30 H26 N2 O12 S2 -","2","1","","Altamura, Maria; Dapporto, Paolo; Guidi, Antonio; Harmat, Nicholas J. S.; Jierry, Loïc; Libralesso, Elisa; Paoli, Paola; Rossi, Patrizia","Investigation on the flexibility of chiral tricyclic derivatives","New Journal of Chemistry","2008","32","9","1617","","10.1039/b801569d","","","0.71069","MoKα","","0.0507","0.0415","","","0.1159","0.1249","","","","","","1.112","","","","has coordinates","301851","2025-08-21","20:32:39",""
"7051961","7.7913","0.0013","7.9556","0.0013","12.052","0.002","99.069","0.002","93.211","0.003","102.462","0.002","717.2","0.2","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H24 Cl Ga N2 O2 -","- C10 H24 Cl Ga N2 O2 -","- C20 H48 Cl2 Ga2 N4 O4 -","2","1","","Basharat, Siama; Knapp, Caroline E.; Carmalt, Claire J.; Barnett, Sarah A.; Tocher, Derek A.","Synthesis and structures of gallium alkoxides","New Journal of Chemistry","2008","32","9","1513","","10.1039/b801579a","","","0.71073","MoKα","","0.0298","0.0264","","","0.0649","0.0662","","","","","","1.046","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7051962","8.4505","0.001","13.7024","0.0017","8.6396","0.0011","90","","113.648","0.002","90","","916.4","0.2","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H22 Cl4 Ga2 O4 -","- C10 H22 Cl4 Ga2 O4 -","- C20 H44 Cl8 Ga4 O8 -","2","0.5","","Basharat, Siama; Knapp, Caroline E.; Carmalt, Claire J.; Barnett, Sarah A.; Tocher, Derek A.","Synthesis and structures of gallium alkoxides","New Journal of Chemistry","2008","32","9","1513","","10.1039/b801579a","","","0.71073","MoKα","","0.0325","0.0294","","","0.0818","0.0829","","","","","","1.062","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7051963","9.3818","0.0008","12.2919","0.001","10.7257","0.0009","90","","90","","90","","1236.89","0.18","150","2","150","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C8 H20 Cl Ga N2 O2 -","- C8 H20 Cl Ga N2 O2 -","- C32 H80 Cl4 Ga4 N8 O8 -","4","1","","Basharat, Siama; Knapp, Caroline E.; Carmalt, Claire J.; Barnett, Sarah A.; Tocher, Derek A.","Synthesis and structures of gallium alkoxides","New Journal of Chemistry","2008","32","9","1513","","10.1039/b801579a","","","0.71073","MoKα","","0.0292","0.0273","","","0.0628","0.0637","","","","","","1.115","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"7051964","10.1997","0.0003","18.1058","0.0006","18.9884","0.0007","90","","96.489","0.002","90","","3484.2","0.2","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","ggban3","","","- C42 H41 Fe O P3 -","- C42 H41 Fe O P3 -","- C168 H164 Fe4 O4 P12 -","4","1","","Guilera, Gemma; McGrady, G. Sean; Steed, Jonathan W.; Burchell, Richard P. L.; Sirsch, Peter; Deeming, Anthony J.","Synthesis and characterisation of [(triphos)Fe(CO)H2] and its protonation to a dihydrogen complex via an unconventional hydrogen-bonded intermediate","New Journal of Chemistry","2008","32","9","1573","","10.1039/b801652f","","","0.71073","MoKα","","0.125","0.0588","","","0.0869","0.1057","","","","","","1.038","","","","has coordinates","180073","2020-10-21","18:00:00",""
"7051965","5.644","0.001","12.047","0.002","16.159","0.002","82.02","0.05","82.48","0.05","81.9","0.04","1070.2","0.3","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C27 H24 O2 -","- C27 H24 O2 -","- C54 H48 O4 -","2","1","","Olivier, Jean-Hubert; Camerel, Franck; Ziessel, Raymond; Retailleau, Pascal; Amadou, Julien; Pham-Huu, Cuong","Microwave-promoted hydrogenation and alkynylation reactions with palladium-loaded multi-walled carbon nanotubes","New Journal of Chemistry","2008","32","6","920","","10.1039/b802014k","","","0.7107","MoKα","","0.0718","0.0475","","","0.1244","0.1436","","","","","","1.038","","","","has coordinates","301851","2025-08-21","20:32:39",""
"7051966","12.395","0.002","12.491","0.002","15.5","0.003","82.46","0.01","75.89","0.01","81.42","0.01","2290.1","0.7","113","2","113","2","","","","","","","","4","P -1","-P 1","2","","2,2'-bis(Hydroxydiphenylmethyl)-1,1'-binaphthyl pyridine morpholine benzene clathrate","","- C61 H54 N2 O3 -","- C61 H54 N2 O3 -","- C122 H108 N4 O6 -","2","1","","Nassimbeni, Luigi R.; Su, Hong; Weber, Edwin","Polymorphism, isostructurality and variability in the inclusion chemistry of a diol host compound","New Journal of Chemistry","2008","32","10","1702","","10.1039/b802269k","","","0.71073","MoKα","","0.16","0.1036","","","0.2694","0.3219","","","","","","1.017","","","","has coordinates","301851","2025-08-21","20:32:39",""
"7051967","4.1115","0.0004","14.688","0.001","17.247","0.002","90","","90","","90","","1041.54","0.17","293","2","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H7 Br O2 S2 -","- C10 H7 Br O2 S2 -","- C40 H28 Br4 O8 S8 -","4","1","","Hergué, Noémie; Leriche, Philippe; Blanchard, Philippe; Allain, Magali; Gallego-Planas, Nuria; Frère, Pierre; Roncali, Jean","Evidence for the contribution of sulfur–bromine intramolecular interactions to the self-rigidification of thiophene-based π-conjugated systems","New Journal of Chemistry","2008","32","6","932","","10.1039/b802313a","","x-ray","0.71073","MoKα","","","0.0292","","","","0.0721","","","","","","0.978","","","","has coordinates","301851","2025-08-21","20:32:39",""
"7051968","20.59","0.006","13.4517","0.0008","14.543","0.001","90","","103.64","0.02","90","","3914.4","1.2","293","2","","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C26 H27 Cd Cl2 N5 O10 S8 -","- C26 H27 Cd Cl2 N5 O10 S8 -","- C104 H108 Cd4 Cl8 N20 O40 S32 -","4","1","","Benhaoua, Chahrazed; Mazari, Miloud; Mercier, Nicolas; Le Derf, Franck; Sallé, Marc","Electrochemical M2+ recognition by an amidopyridyl-tetrathiafulvalene derivative","New Journal of Chemistry","2008","32","6","913","","10.1039/b802726a","","x-ray","0.71073","MoKα","","","0.048","","","","0.1492","","","","","","1.02","","","","has coordinates","180073","2020-10-21","18:00:00",""
"7051969","15.289","0.0002","17.458","0.0002","18.783","0.0002","90","","90","","90","","5013.47","0.1","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C56 H68 N4 O8 -","- C56 H68 N4 O8 -","- C224 H272 N16 O32 -","4","1","","Stibor, Ivan; Budka, Jan; Michlová, Veronika; Tkadlecová, Marcela; Pojarová, Michaela; Cuřínová, Petra; Lhoták, Pavel","Systematic approach to new ligands for anion recognition based on ureido-calix[4]arenes","New Journal of Chemistry","2008","32","9","1597","","10.1039/b802871k","","","0.71073","MoKα","","0.0449","0.0397","","0.0524","0.0474","0.0474","","","","","","1.0463","","","","has coordinates,has disorder","301851","2025-08-21","20:32:39",""
"7051970","23.612","0.002","15.0618","0.0012","17.8456","0.0015","90","","128.492","0.002","90","","4967.4","0.7","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C28 H26 N2 O8 -","- C27 H22 N2 O7 -","- C216 H176 N16 O56 -","8","1","","Santra, Ramkinkar; Ghosh, Nayan; Biradha, Kumar","Crystal engineering with acid and pyridine heteromeric synthon: neutral and ionic co-crystals","New Journal of Chemistry","2008","32","10","1673","","10.1039/b803280g","","","0.71073","MoKα","","0.1592","0.0637","","","0.1302","0.1565","","","","","","0.942","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7051971","19.1296","0.0007","7.7639","0.0003","15.7687","0.0006","90","","98.138","0.001","90","","2318.39","0.15","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H22 N2 O7 -","- C27 H22 N2 O7 -","- C108 H88 N8 O28 -","4","1","","Santra, Ramkinkar; Ghosh, Nayan; Biradha, Kumar","Crystal engineering with acid and pyridine heteromeric synthon: neutral and ionic co-crystals","New Journal of Chemistry","2008","32","10","1673","","10.1039/b803280g","","","0.71073","MoKα","","0.0964","0.0504","","","0.1396","0.169","","","","","","1.022","","","","has coordinates","206958","2020-10-21","18:00:00",""
"7051972","6.6119","0.0008","19.013","0.002","30.15","0.004","90","","92.3","0.004","90","","3787.2","0.8","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C45 H38 N4 O8 -","- C45 H38 N4 O8 -","- C180 H152 N16 O32 -","4","1","","Santra, Ramkinkar; Ghosh, Nayan; Biradha, Kumar","Crystal engineering with acid and pyridine heteromeric synthon: neutral and ionic co-crystals","New Journal of Chemistry","2008","32","10","1673","","10.1039/b803280g","","","0.71073","MoKα","","0.082","0.0507","","","0.1526","0.1718","","","","","","1.104","","","","has coordinates","301851","2025-08-21","20:32:39",""
"7051973","13.3963","0.0001","13.3963","0.0001","31.0233","0.0005","90","","90","","120","","4821.57","0.09","120","2","120","2","","","","","","","","4","P 31 2 1","P 31 2""","152","","","","- C32 H45 Cl O9 -","- C32 H45 Cl O9 -","- C192 H270 Cl6 O54 -","6","1","","Othman, Abdullah; Harris, Robin K.; Hodgkinson, Paul; Christopher, Elizabeth A.; Lancaster, Robert W.","Structural characterisation of two pharmaceutically important steroids by solid-state NMR","New Journal of Chemistry","2008","32","10","1796","","10.1039/b803586e","","","0.71073","Mo-Kα","","0.0545","0.0499","","","0.1354","0.1393","","","","","","1.027","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7051974","15.3449","0.0019","9.6588","0.0012","26.538","0.003","90","","106.19","0.002","90","","3777.3","0.8","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C40 H40 N12 O -","- C40 H40 N12 O -","- C160 H160 N48 O4 -","4","1","","Sanz, Dionisia; Claramunt, Rosa M.; Alkorta, Ibon; Elguero, José; Thiel, Werner R.; Rüffer, Tobias","A theoretical and experimental NMR study of the tautomerism of two phenylene-bis-C-substituted pyrazoles","New Journal of Chemistry","2008","32","12","2225","","10.1039/b803855d","","","0.71073","MoKα","","0.2399","0.0666","","","0.112","0.144","","","","","","0.801","","","","has coordinates,has disorder","301851","2025-08-21","20:32:39",""
"7051975","10.4886","0.0011","12.8375","0.0013","15.7298","0.0017","90","","101.024","0.002","90","","2078.9","0.4","183","","183","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C12 H10 N4 -","- C12 H10 N4 -","- C96 H80 N32 -","8","1","","Sanz, Dionisia; Claramunt, Rosa M.; Alkorta, Ibon; Elguero, José; Thiel, Werner R.; Rüffer, Tobias","A theoretical and experimental NMR study of the tautomerism of two phenylene-bis-C-substituted pyrazoles","New Journal of Chemistry","2008","32","12","2225","","10.1039/b803855d","","","0.71073","MoKα","","0.0602","0.0423","","","0.1141","0.1195","","","","","","1.056","","","","has coordinates","180073","2020-10-21","18:00:00",""
"7051976","24.605","0.006","14.569","0.004","10.318","0.003","90","","91.82","0.02","90","","3696.8","1.7","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C37 H45 N O12 -","- C37 H45 N O12 -","- C148 H180 N4 O48 -","4","2","","Bacchi, Alessia; Carcelli, Mauro; Pelizzi, Giancarlo","Sampling rifamycin conformational variety by cruising through crystal forms: implications for polymorph screening and for biological models","New Journal of Chemistry","2008","32","10","1725","","10.1039/b804746d","","","1.54178","CuKα","","0.105","0.059","","","0.1557","0.2013","","","","","","1.063","","","","has coordinates","301851","2025-08-21","20:32:39",""
"7051977","24.618","0.005","14.588","0.005","10.278","0.005","90","","92.48","0.05","90","","3688","2","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C37 H45 N O12 -","- C37 H45 N O12 -","- C148 H180 N4 O48 -","4","2","","Bacchi, Alessia; Carcelli, Mauro; Pelizzi, Giancarlo","Sampling rifamycin conformational variety by cruising through crystal forms: implications for polymorph screening and for biological models","New Journal of Chemistry","2008","32","10","1725","","10.1039/b804746d","","","1.54178","CuKα","","0.1339","0.0579","","","0.119","0.1494","","","","","","0.873","","","","has coordinates","301851","2025-08-21","20:32:39",""
"7051978","11.764","0.005","15.876","0.005","12.222","0.005","90","","112.34","0.05","90","","2111.3","1.6","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C38 H50 Cl3 N O14 -","- C38 H50 Cl3 N O14 -","- C76 H100 Cl6 N2 O28 -","2","1","","Bacchi, Alessia; Carcelli, Mauro; Pelizzi, Giancarlo","Sampling rifamycin conformational variety by cruising through crystal forms: implications for polymorph screening and for biological models","New Journal of Chemistry","2008","32","10","1725","","10.1039/b804746d","","","1.54178","CuKα","","0.1252","0.076","","","0.189","0.2529","","","","","","0.917","","","","has coordinates","301851","2025-08-21","20:32:39",""
"7051979","13.842","0.0008","19.863","0.001","16.721","0.001","90","","91.709","0.001","90","","4595.3","0.4","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C43 H59 N3 O15 -","- C43 H59 N3 O15 -","- C172 H236 N12 O60 -","4","2","","Bacchi, Alessia; Carcelli, Mauro; Pelizzi, Giancarlo","Sampling rifamycin conformational variety by cruising through crystal forms: implications for polymorph screening and for biological models","New Journal of Chemistry","2008","32","10","1725","","10.1039/b804746d","","","0.71073","MoKα","","0.068","0.0547","","","0.1426","0.1522","","","","","","1.034","","","","has coordinates","180073","2020-10-21","18:00:00",""
"7051980","10.306","0.0019","7.4208","0.0015","36.756","0.007","90","","93.601","0.003","90","","2805.5","0.9","180","2","180","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H11 B Cl F15 -","- C33 H11 B Cl F15 -","- C132 H44 B4 Cl4 F60 -","4","1","","Cordoneanu, Adina; Drewitt, Mark J.; Bavarian, Neda; Baird, Michael C.","Synthesis and characterization of weakly coordinating anion salts of a new, stable carbocationic reagent, the dibenzosuberenyl (dibenzotropylium) ion","New Journal of Chemistry","2008","32","11","1890","","10.1039/b804868a","","","0.71073","MoKα","","0.0556","0.0414","","","0.0989","0.1061","","","","","","1.073","","","","has coordinates","301851","2025-08-21","20:32:39",""
"7051981","12.512","0.005","13.248","0.006","14.052","0.006","81.676","0.007","82.635","0.008","76.977","0.008","2234.4","1.7","180","2","180","2","","","","","","","","5","P -1","-P 1","2","","","","- C51 H14 B2 F30 O2 -","- C51 H14 B2 F30 O2 -","- C102 H28 B4 F60 O4 -","2","1","","Cordoneanu, Adina; Drewitt, Mark J.; Bavarian, Neda; Baird, Michael C.","Synthesis and characterization of weakly coordinating anion salts of a new, stable carbocationic reagent, the dibenzosuberenyl (dibenzotropylium) ion","New Journal of Chemistry","2008","32","11","1890","","10.1039/b804868a","","","0.71073","MoKα","","0.2552","0.0672","","","0.0821","0.1069","","","","","","0.723","","","","has coordinates","301851","2025-08-21","20:32:39",""
"7051982","9.779","0.002","22.098","0.005","15.386","0.004","90","","96.055","0.004","90","","3306.3","1.3","180","2","180","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C39 H11 B F20 -","- C39 H11 B F20 -","- C156 H44 B4 F80 -","4","1","","Cordoneanu, Adina; Drewitt, Mark J.; Bavarian, Neda; Baird, Michael C.","Synthesis and characterization of weakly coordinating anion salts of a new, stable carbocationic reagent, the dibenzosuberenyl (dibenzotropylium) ion","New Journal of Chemistry","2008","32","11","1890","","10.1039/b804868a","","","0.71073","MoKα","","0.0521","0.0322","","","0.0741","0.0802","","","","","","0.979","","","","has coordinates","301851","2025-08-21","20:32:39",""
"7051983","14.582","0.004","4.5004","0.0013","15.507","0.005","90","","107.569","0.004","90","","970.2","0.5","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","triiodophloroglucinol","triiodophloroglucinol","","- C6 H3 I3 O3 -","- C6 I3 O3 -","- C24 I12 O12 -","4","1","","Nath, Naba K.; Saha, Binoy K.; Nangia, Ashwini","Isostructural polymorphs of triiodophloroglucinol and triiodoresorcinol","New Journal of Chemistry","2008","32","10","1693","","10.1039/b804905j","","","0.71073","MoKα","","0.0544","0.0488","","","0.1115","0.1143","","","","","","1.187","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7051984","4.6376","0.0004","13.5291","0.0011","15.3446","0.0012","90","","90","","90","","962.76","0.14","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","triiododphlorogluicinol","triiododphlorogluicinol","","- C6 H3 I3 O3 -","- C6 I3 O3 -","- C24 I12 O12 -","4","1","","Nath, Naba K.; Saha, Binoy K.; Nangia, Ashwini","Isostructural polymorphs of triiodophloroglucinol and triiodoresorcinol","New Journal of Chemistry","2008","32","10","1693","","10.1039/b804905j","","","0.71073","MoKα","","0.0242","0.0241","","","0.0602","0.0603","","","","","","1.108","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7051985","4.3695","0.0005","14.694","0.0015","14.1839","0.0015","90","","90","","90","","910.68","0.17","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","triiodophenol","triiodophenol","","- C6 H3 I3 O -","- C6 H2 I3 O -","- C24 H8 I12 O4 -","4","1","","Nath, Naba K.; Saha, Binoy K.; Nangia, Ashwini","Isostructural polymorphs of triiodophloroglucinol and triiodoresorcinol","New Journal of Chemistry","2008","32","10","1693","","10.1039/b804905j","","","0.71073","MoKα","","0.0292","0.029","","","0.07","0.0701","","","","","","1.126","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7051986","4.4419","0.0003","14.3683","0.0009","14.573","0.0009","90","","90","","90","","930.09","0.1","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","triiodophenol, triiodoresorcinol","triiodophenol, triiodoresorcinol","","- C6 H3 I3 O1.5 -","- C6 I3 O1.523 -","- C24 I12 O6.092 -","4","1","","Nath, Naba K.; Saha, Binoy K.; Nangia, Ashwini","Isostructural polymorphs of triiodophloroglucinol and triiodoresorcinol","New Journal of Chemistry","2008","32","10","1693","","10.1039/b804905j","","","0.71073","MoKα","","0.0217","0.0215","","","0.0535","0.0536","","","","","","1.197","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7051987","14.8819","0.001","4.3317","0.0003","15.5848","0.0011","90","","108.495","0.001","90","","952.77","0.11","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Triiodoresorcinol","Triiodoresorcinol","","- C6 H3 I3 O2 -","- C6 I3 O2.01 -","- C24 I12 O8.04 -","4","1","","Nath, Naba K.; Saha, Binoy K.; Nangia, Ashwini","Isostructural polymorphs of triiodophloroglucinol and triiodoresorcinol","New Journal of Chemistry","2008","32","10","1693","","10.1039/b804905j","","","0.71073","MoKα","","0.0283","0.0277","","","0.0696","0.07","","","","","","1.187","","","","has coordinates","180073","2020-10-21","18:00:00",""
"7051988","4.4949","0.0007","13.958","0.002","15.036","0.002","90","","90","","90","","943.4","0.2","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Triiodoresorcinol","Triiodoresorcinol","","- C6 H3 I3 O2 -","- C6 I3 O2 -","- C24 I12 O8 -","4","1","","Nath, Naba K.; Saha, Binoy K.; Nangia, Ashwini","Isostructural polymorphs of triiodophloroglucinol and triiodoresorcinol","New Journal of Chemistry","2008","32","10","1693","","10.1039/b804905j","","","0.71073","MoKα","","0.0605","0.0582","","","0.1346","0.1357","","","","","","1.256","","","","has coordinates","180073","2020-10-21","18:00:00",""
"7051989","4.5607","0.0003","13.6484","0.0008","15.3485","0.0009","90","","90","","90","","955.39","0.1","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","triiodoresorcinol, triiodophloroglucinol","triiodoresorcinol, triiodophloroglucinol","","- C6 H3 I3 O2.5 -","- C6 I3 O2.521 -","- C24 I12 O10.084 -","4","1","","Nath, Naba K.; Saha, Binoy K.; Nangia, Ashwini","Isostructural polymorphs of triiodophloroglucinol and triiodoresorcinol","New Journal of Chemistry","2008","32","10","1693","","10.1039/b804905j","","","0.71073","MoKα","","0.0226","0.0225","","","0.0544","0.0544","","","","","","1.178","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7051990","8.8645","0.0002","8.5149","0.0001","49.0253","0.0009","90","","90","","90","","3700.45","0.12","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","bis(dodecylammonium)tetraiodoplumbate(II)","","- C24 H56 I4 N2 Pb -","- C24 H56 I4 N2 Pb -","- C96 H224 I16 N8 Pb4 -","4","0.5","","Billing, David G.; Lemmerer, Andreas","Synthesis, characterization and phase transitions of the inorganic‒organic layered perovskite-type hybrids [(CnH2n+1NH3)2PbI4] (n = 12, 14, 16 and 18)","New Journal of Chemistry","2008","32","10","1736","","10.1039/b805417g","","","0.71073","MoKα","","0.0661","0.0551","","","0.1323","0.1362","","","","","","1.292","","","","has coordinates","180073","2020-10-21","18:00:00",""
"7051991","8.6882","0.0006","9.0031","0.0006","23.8647","0.0016","90","","92.847","0.002","90","","1864.4","0.2","319","2","319","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","bis(dodecylammonium)tetraiodoplumbate(II)","","- C24 H56 I4 N2 Pb -","- C24 H56 I4 N2 Pb -","- C48 H112 I8 N4 Pb2 -","2","0.5","","Billing, David G.; Lemmerer, Andreas","Synthesis, characterization and phase transitions of the inorganic‒organic layered perovskite-type hybrids [(CnH2n+1NH3)2PbI4] (n = 12, 14, 16 and 18)","New Journal of Chemistry","2008","32","10","1736","","10.1039/b805417g","","","0.71073","MoKα","","0.0513","0.0348","","","0.0913","0.0998","","","","","","0.937","","","","has coordinates","180073","2020-10-21","18:00:00",""
"7051992","8.8474","0.0001","8.5167","0.0001","54.1561","0.0007","90","","90","","90","","4080.7","0.08","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","bis(tetradecylammonium)tetraiodoplumbate(II)","","- C28 H64 I4 N2 Pb -","- C28 H64 I4 N2 Pb -","- C112 H256 I16 N8 Pb4 -","4","0.5","","Billing, David G.; Lemmerer, Andreas","Synthesis, characterization and phase transitions of the inorganic‒organic layered perovskite-type hybrids [(CnH2n+1NH3)2PbI4] (n = 12, 14, 16 and 18)","New Journal of Chemistry","2008","32","10","1736","","10.1039/b805417g","","","0.71073","MoKα","","0.0678","0.054","","","0.111","0.1147","","","","","","1.252","","","","has coordinates","180073","2020-10-21","18:00:00",""
"7051993","8.6774","0.0016","9.0143","0.0019","26.412","0.006","90","","92.492","0.013","90","","2064","0.7","335","2","335","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","bis(tetradecylammonium)tetraiodoplumbate(II)","","- C28 H64 I4 N2 Pb -","- C28 H64 I4 N2 Pb -","- C56 H128 I8 N4 Pb2 -","2","0.5","","Billing, David G.; Lemmerer, Andreas","Synthesis, characterization and phase transitions of the inorganic‒organic layered perovskite-type hybrids [(CnH2n+1NH3)2PbI4] (n = 12, 14, 16 and 18)","New Journal of Chemistry","2008","32","10","1736","","10.1039/b805417g","","","0.71073","MoKα","","0.0814","0.0531","","","0.1411","0.1586","","","","","","1.095","","","","has coordinates","180073","2020-10-21","18:00:00",""
"7051994","8.8167","0.0001","8.5222","0.0001","59.2906","0.0009","90","","90","","90","","4454.96","0.1","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","bis(hexadecylammonium)tetraiodoplumbate(II)","","- C32 H72 I4 N2 Pb -","- C32 H72 I4 N2 Pb -","- C128 H288 I16 N8 Pb4 -","4","0.5","","Billing, David G.; Lemmerer, Andreas","Synthesis, characterization and phase transitions of the inorganic‒organic layered perovskite-type hybrids [(CnH2n+1NH3)2PbI4] (n = 12, 14, 16 and 18)","New Journal of Chemistry","2008","32","10","1736","","10.1039/b805417g","","","0.71073","MoKα","","0.0663","0.0519","","","0.1245","0.1292","","","","","","1.209","","","","has coordinates","180073","2020-10-21","18:00:00",""
"7051995","8.673","0.002","9.012","0.003","28.846","0.008","90","","91.816","0.006","90","","2253.5","1.1","341","2","341","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","bis(hexadecylammonium)tetraiodoplumbate(II)","","- C32 H72 I4 N2 Pb -","- C32 H72 I4 N2 Pb -","- C64 H144 I8 N4 Pb2 -","2","0.5","","Billing, David G.; Lemmerer, Andreas","Synthesis, characterization and phase transitions of the inorganic‒organic layered perovskite-type hybrids [(CnH2n+1NH3)2PbI4] (n = 12, 14, 16 and 18)","New Journal of Chemistry","2008","32","10","1736","","10.1039/b805417g","","","0.71073","MoKα","","0.0639","0.04","","","0.1045","0.117","","","","","","0.999","","","","has coordinates","180073","2020-10-21","18:00:00",""
"7051996","8.7825","0.0001","8.5401","0.0001","64.4472","0.0011","90","","90","","90","","4833.76","0.11","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","bis(octadecylammonium)tetraiodoplumbate(II)","","- C36 H80 I4 N2 Pb -","- C36 H80 I4 N2 Pb -","- C144 H320 I16 N8 Pb4 -","4","0.5","","Billing, David G.; Lemmerer, Andreas","Synthesis, characterization and phase transitions of the inorganic‒organic layered perovskite-type hybrids [(CnH2n+1NH3)2PbI4] (n = 12, 14, 16 and 18)","New Journal of Chemistry","2008","32","10","1736","","10.1039/b805417g","","","0.71073","MoKα","","0.0737","0.0556","","","0.1281","0.1346","","","","","","1.141","","","","has coordinates","180073","2020-10-21","18:00:00",""
"7051997","8.6917","0.0009","9.0456","0.001","31.424","0.004","90","","91.586","0.008","90","","2469.7","0.5","348","2","348","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","bis(octadecylammonium)tetraiodoplumbate(II)","","- C36 H80 I4 N2 Pb -","- C36 H80 I4 N2 Pb -","- C72 H160 I8 N4 Pb2 -","2","0.5","","Billing, David G.; Lemmerer, Andreas","Synthesis, characterization and phase transitions of the inorganic‒organic layered perovskite-type hybrids [(CnH2n+1NH3)2PbI4] (n = 12, 14, 16 and 18)","New Journal of Chemistry","2008","32","10","1736","","10.1039/b805417g","","","0.71073","MoKα","","0.0835","0.0412","","","0.0952","0.1085","","","","","","0.895","","","","has coordinates","180073","2020-10-21","18:00:00",""
"7051998","7.421","0.004","7.71","0.004","42.2","0.002","90","","90","","90","","2414.5","1.8","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","aprepitant, form I","","","- C23 H21 F7 N4 O3 -","- C23 H21 F7 N4 O3 -","- C92 H84 F28 N16 O12 -","4","1","","Braun, Doris E.; Gelbrich, Thomas; Kahlenberg, Volker; Laus, Gerhard; Wieser, Josef; Griesser, Ulrich J.","Packing polymorphism of a conformationally flexible molecule (aprepitant)","New Journal of Chemistry","2008","32","10","1677","","10.1039/b805438j","","","0.71073","MoKα","","0.0532","0.0482","","","0.1325","0.1389","","","","","","1.184","","","","has coordinates,has disorder","301851","2025-08-21","20:32:39",""
"7051999","7.7768","0.0016","7.4072","0.0011","21.297","0.005","90","","92.861","0.017","90","","1225.3","0.4","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","aprepitant, form II","","","- C23 H21 F7 N4 O3 -","- C23 H21 F7 N4 O3 -","- C46 H42 F14 N8 O6 -","2","1","","Braun, Doris E.; Gelbrich, Thomas; Kahlenberg, Volker; Laus, Gerhard; Wieser, Josef; Griesser, Ulrich J.","Packing polymorphism of a conformationally flexible molecule (aprepitant)","New Journal of Chemistry","2008","32","10","1677","","10.1039/b805438j","","","0.71069","MoKα","","0.1165","0.0903","","","0.1775","0.1911","","","","","","1.062","","","","has coordinates","301851","2025-08-21","20:32:39",""
"7052000","9.579","0.003","11.979","0.004","12.141","0.004","91.773","0.004","102.912","0.004","110.758","0.002","1260.5","0.7","103","2","103","2","","","","","","","","4","P -1","-P 1","2","1 Se2S2","","","- C32 H22 S2 Se2 -","- C32 H22 S2 Se2 -","- C64 H44 S4 Se4 -","2","1","","Nakanishi, Waro; Hayashi, Satoko; Morinaka, Sayuri; Sasamori, Takahiro; Tokitoh, Norihiro","Extended hypervalent E′⋯E–E⋯E′ 4c–6e (E, E′ = Se, S) interactions: structure, stability and reactivity of 1-(8-PhE′C10H6)EE(C10H6E′Ph-8′)-1′","New Journal of Chemistry","2008","32","11","1881","","10.1039/b805678a","","","0.7107","MoKα","","0.0223","0.0204","","","0.0526","0.0532","","","","","","1","","","","has coordinates","301851","2025-08-21","20:32:39",""
"7052001","25.3639","0.0005","11.9664","0.0004","19.4789","0.0006","90","","118.995","0.0012","90","","5171.1","0.3","103","2","103","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","2_S2Se2","","","- C32 H22 S2 Se2 -","- C32 H22 S2 Se2 -","- C256 H176 S16 Se16 -","8","1","","Nakanishi, Waro; Hayashi, Satoko; Morinaka, Sayuri; Sasamori, Takahiro; Tokitoh, Norihiro","Extended hypervalent E′⋯E–E⋯E′ 4c–6e (E, E′ = Se, S) interactions: structure, stability and reactivity of 1-(8-PhE′C10H6)EE(C10H6E′Ph-8′)-1′","New Journal of Chemistry","2008","32","11","1881","","10.1039/b805678a","","","0.71069","MoKα","","0.0407","0.0263","","","0.0566","0.0603","","","","","","1.054","","","","has coordinates","301851","2025-08-21","20:32:39",""
"7052002","16.8943","0.0003","7.2299","0.0001","14.9051","0.0002","90","","116.08","0.001","90","","1635.2","0.05","180","2","180","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","iodopentafluorobenzene-phenazine 1/1","iodopentafluorobenzene-phenazine 1/1","","- C18 H8 F5 I N2 -","- C18 H8 F5 I N2 -","- C72 H32 F20 I4 N8 -","4","1","","Cinčić, Dominik; Friščić, Tomislav; Jones, William","A cocrystallisation-based strategy to construct isostructural solids","New Journal of Chemistry","2008","32","10","1776","","10.1039/b805816d","","","0.71073","MoKα","","0.0333","0.026","","","0.0554","0.0586","","","","","","1.078","","","","has coordinates","301851","2025-08-21","20:32:39",""
"7052003","16.9525","0.0003","7.2187","0.0002","14.9464","0.0003","90","","116.246","0.001","90","","1640.5","0.06","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","iodopentafluorobenzene-acridine 1/1","iodopentafluorobenzene-acridine 1/1","","- C19 H9 F5 I N -","- C19 H9 F5 I N -","- C76 H36 F20 I4 N4 -","4","1","","Cinčić, Dominik; Friščić, Tomislav; Jones, William","A cocrystallisation-based strategy to construct isostructural solids","New Journal of Chemistry","2008","32","10","1776","","10.1039/b805816d","","","0.71073","MoKα","","0.0295","0.0239","","","0.0565","0.0591","","","","","","1.027","","","","has coordinates","301851","2025-08-21","20:32:39",""
"7052004","17.0193","0.0007","7.2045","0.0002","14.7399","0.0003","90","","116.535","0.001","90","","1616.96","0.09","180","2","180","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","acridine-bromopentafluorobenzene 1/1","acridine-bromopentafluorobenzene 1/1","","- C19 H9 Br F5 N -","- C19 H9 Br F5 N -","- C76 H36 Br4 F20 N4 -","4","1","","Cinčić, Dominik; Friščić, Tomislav; Jones, William","A cocrystallisation-based strategy to construct isostructural solids","New Journal of Chemistry","2008","32","10","1776","","10.1039/b805816d","","","0.71073","MoKα","","0.0547","0.0365","","","0.0906","0.0996","","","","","","0.995","","","","has coordinates","301851","2025-08-21","20:32:39",""
"7052005","11.4609","0.0003","11.4609","0.0003","15.4443","0.0009","90","","90","","120","","1756.86","0.12","90","","90","","","","","","","","","6","P -3 c 1","-P 3 2""c","165","","","","- C6 H31.44 Cl3 Cr N6 O3.72 -","- C6 H24 Cl3 Cr N6 O3.721 -","- C24 H96 Cl12 Cr4 N24 O14.884 -","4","0.333333","","Takamizawa, Satoshi; Kohbara, Masa-aki; Akatsuka, Takamasa; Miyake, Ryosuke","Gas-adsorbing ability of tris-ethylenediamine metal complexes (M = Co(iii), Cr(iii), Rh(iii), Ir(iii)) as transformable ionic single crystal hosts","New Journal of Chemistry","2008","32","10","1782","","10.1039/b806467a","","","0.71073","MoKα","","0.0429","0.0396","","","0.126","0.1288","","","","","","1.178","","","","has coordinates","180074","2020-10-21","18:00:00",""
"7052006","10.9745","0.0016","10.9745","0.0016","15.421","0.003","90","","90","","120","","1608.5","0.5","90","","90","","","","","","","","","5","P -3 c 1","-P 3 2""c","165","","","","- C6 H24 Cl3 Cr N6 -","- C6 H24 Cl3 Cr N6 -","- C24 H96 Cl12 Cr4 N24 -","4","0.333333","","Takamizawa, Satoshi; Kohbara, Masa-aki; Akatsuka, Takamasa; Miyake, Ryosuke","Gas-adsorbing ability of tris-ethylenediamine metal complexes (M = Co(iii), Cr(iii), Rh(iii), Ir(iii)) as transformable ionic single crystal hosts","New Journal of Chemistry","2008","32","10","1782","","10.1039/b806467a","","","0.71073","MoKα","","0.0301","0.0273","","","0.0724","0.0736","","","","","","1.129","","","","has coordinates","301851","2025-08-21","20:32:39",""
"7052007","10.9593","0.0005","10.9593","0.0005","15.3981","0.0014","90","","90","","120","","1601.63","0.18","90","","90","","","","","","","","","5","P -3 c 1","-P 3 2""c","165","","","","- C6 H24 Cl3 N6 Rh -","- C6 H24 Cl3 N6 Rh -","- C24 H96 Cl12 N24 Rh4 -","4","0.333333","","Takamizawa, Satoshi; Kohbara, Masa-aki; Akatsuka, Takamasa; Miyake, Ryosuke","Gas-adsorbing ability of tris-ethylenediamine metal complexes (M = Co(iii), Cr(iii), Rh(iii), Ir(iii)) as transformable ionic single crystal hosts","New Journal of Chemistry","2008","32","10","1782","","10.1039/b806467a","","","0.71073","MoKα","","0.088","0.0823","","","0.1557","0.1582","","","","","","1.379","","","","has coordinates","301851","2025-08-21","20:32:39",""
"7052008","11.4083","0.0006","11.4083","0.0006","15.3968","0.0016","90","","90","","120","","1735.4","0.2","90","","90","","","","","","","","","6","P -3 c 1","-P 3 2""c","165","","","","- C6 H30.74 Cl3 N6 O3.37 Rh -","- C6 H24 Cl3 N6 O3.37 Rh -","- C24 H96 Cl12 N24 O13.48 Rh4 -","4","0.333333","","Takamizawa, Satoshi; Kohbara, Masa-aki; Akatsuka, Takamasa; Miyake, Ryosuke","Gas-adsorbing ability of tris-ethylenediamine metal complexes (M = Co(iii), Cr(iii), Rh(iii), Ir(iii)) as transformable ionic single crystal hosts","New Journal of Chemistry","2008","32","10","1782","","10.1039/b806467a","","","0.71073","MoKα","","0.0678","0.046","","","0.1051","0.1134","","","","","","1.074","","","","has coordinates","180074","2020-10-21","18:00:00",""
"7052009","3.9193","0.0018","5.754","0.003","14.366","0.007","100.027","0.007","96.109","0.007","92.374","0.008","316.6","0.3","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","5-Ethyluracil","","- C6 H8 N2 O2 -","- C6 H8 N2 O2 -","- C12 H16 N4 O4 -","2","1","","Barnett, Sarah A.; Hulme, Ashley T.; Issa, Nizar; Lewis, Thomas C.; Price, Louise S.; Tocher, Derek A.; Price, Sarah L.","The observed and energetically feasible crystal structures of 5-substituted uracils","New Journal of Chemistry","2008","32","10","1761","","10.1039/b806763e","","","0.71073","MoKα","","0.0915","0.0609","","","0.1342","0.1453","","","","","","0.931","","","","has coordinates","301851","2025-08-21","20:32:39",""
"7052010","9.0098","0.0018","6.6035","0.0013","9.1805","0.0018","90","","98.124","0.003","90","","540.72","0.19","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","5-Cyanouracil","","- C5 H3 N3 O2 -","- C5 H3 N3 O2 -","- C20 H12 N12 O8 -","4","1","","Barnett, Sarah A.; Hulme, Ashley T.; Issa, Nizar; Lewis, Thomas C.; Price, Louise S.; Tocher, Derek A.; Price, Sarah L.","The observed and energetically feasible crystal structures of 5-substituted uracils","New Journal of Chemistry","2008","32","10","1761","","10.1039/b806763e","","","0.71073","MoKα","","0.0429","0.0398","","","0.1091","0.1121","","","","","","1.043","","","","has coordinates","301851","2025-08-21","20:32:39",""
"7052011","7.046","0.0007","24.035","0.002","6.864","0.0007","90","","116.554","0.002","90","","1039.8","0.17","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","C4 H3 F N2 O2, C7 H5 N","5-Fluorouracil Benzonitrile solvate (1/1)","","- C11 H8 F N3 O2 -","- C11 H8 F N3 O2 -","- C44 H32 F4 N12 O8 -","4","1","","Barnett, Sarah A.; Hulme, Ashley T.; Issa, Nizar; Lewis, Thomas C.; Price, Louise S.; Tocher, Derek A.; Price, Sarah L.","The observed and energetically feasible crystal structures of 5-substituted uracils","New Journal of Chemistry","2008","32","10","1761","","10.1039/b806763e","","","0.71073","MoKα","","0.0418","0.0366","","","0.1069","0.1119","","","","","","1.052","","","","has coordinates","301851","2025-08-21","20:32:39",""
"7052012","6.827","0.004","6.111","0.003","8.424","0.004","90","","90.313","0.008","90","","351.4","0.3","150","2","150","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","C4 H3 F N2 O2 , C H3 N O","5-Fluorouracil Formaide solvate (1/1)","","- C5 H6 F N3 O3 -","- C5 H6 F N3 O3 -","- C10 H12 F2 N6 O6 -","2","0.5","","Barnett, Sarah A.; Hulme, Ashley T.; Issa, Nizar; Lewis, Thomas C.; Price, Louise S.; Tocher, Derek A.; Price, Sarah L.","The observed and energetically feasible crystal structures of 5-substituted uracils","New Journal of Chemistry","2008","32","10","1761","","10.1039/b806763e","","","0.71073","MoKα","","0.0476","0.0407","","","0.1061","0.1108","","","","","","1.096","","","","has coordinates","301851","2025-08-21","20:32:39",""
"7052013","8.4393","0.001","6.8412","0.0008","9.3679","0.0012","90","","104.201","0.002","90","","524.33","0.11","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","5-Chlorouracil","","- C4 H3 Cl N2 O2 -","- C4 H3 Cl N2 O2 -","- C16 H12 Cl4 N8 O8 -","4","1","","Barnett, Sarah A.; Hulme, Ashley T.; Issa, Nizar; Lewis, Thomas C.; Price, Louise S.; Tocher, Derek A.; Price, Sarah L.","The observed and energetically feasible crystal structures of 5-substituted uracils","New Journal of Chemistry","2008","32","10","1761","","10.1039/b806763e","","","0.71073","MoKα","","0.035","0.033","","","0.092","0.0941","","","","","","1.066","","","","has coordinates,has disorder","211196","2020-10-21","18:00:00",""
"7052014","8.568","0.0011","6.8823","0.0009","9.5715","0.0012","90","","103.44","0.002","90","","548.95","0.12","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","5-Bromouracil","","- C4 H3 Br N2 O2 -","- C4 H3 Br N2 O2 -","- C16 H12 Br4 N8 O8 -","4","1","","Barnett, Sarah A.; Hulme, Ashley T.; Issa, Nizar; Lewis, Thomas C.; Price, Louise S.; Tocher, Derek A.; Price, Sarah L.","The observed and energetically feasible crystal structures of 5-substituted uracils","New Journal of Chemistry","2008","32","10","1761","","10.1039/b806763e","","","0.71073","MoKα","","0.0283","0.0254","","","0.0623","0.063","","","","","","1.112","","","","has coordinates,has disorder","211196","2020-10-21","18:00:00",""
"7052015","14.0788","0.0016","16.3324","0.0017","14.8509","0.0017","90","","99.069","0.007","90","","3372.1","0.7","103","2","100","2","","","","","","","synthesis as described","3","P 1 21/n 1","-P 2yn","14","","","","- C40 H53 N3 -","- C40 H53 N3 -","- C160 H212 N12 -","4","1","","Zheng, Zhanjiang; Elmkaddem, Mohammed Kamal; Fischmeister, Cédric; Roisnel, Thierry; Thomas, Christophe M.; Carpentier, Jean-François; Renaud, Jean-Luc","Synthesis of new dipyridinylamine and dipyridinylmethane ligands and their coordination chemistry with Mg(ii) and Zn(ii)","New Journal of Chemistry","2008","32","12","2150","","10.1039/b807258b","","x-ray","0.71073","MoKα","","0.1183","0.0622","","","0.1286","0.153","","","","","","1.034","","","","has coordinates","301851","2025-08-21","20:32:39",""
"7052016","13.1083","0.0002","13.113","0.0003","20.455","0.0004","89.958","0.001","89.993","0.001","89.977","0.001","3515.99","0.12","100","2","100","2","","","","","","","synthesis as described","4","P 1","P 1","1","","","","- C36 H48 N6 Zn -","- C36 H48 N6 Zn -","- C144 H192 N24 Zn4 -","4","4","","Zheng, Zhanjiang; Elmkaddem, Mohammed Kamal; Fischmeister, Cédric; Roisnel, Thierry; Thomas, Christophe M.; Carpentier, Jean-François; Renaud, Jean-Luc","Synthesis of new dipyridinylamine and dipyridinylmethane ligands and their coordination chemistry with Mg(ii) and Zn(ii)","New Journal of Chemistry","2008","32","12","2150","","10.1039/b807258b","","x-ray","0.71073","MoKα","","0.0845","0.0737","","","0.1805","0.1852","","","","","","1.303","","","","has coordinates","301851","2025-08-21","20:32:39",""
"7052017","25.716","0.0019","9.9469","0.0012","15.7295","0.0014","90","","96.67","","90","","3996.3","0.7","100","2","100","2","","","","","","","synthesis as described","4","C 1 2/c 1","-C 2yc","15","","","","- C40 H58 N6 Zn2 -","- C40 H58 N6 Zn2 -","- C160 H232 N24 Zn8 -","4","0.5","","Zheng, Zhanjiang; Elmkaddem, Mohammed Kamal; Fischmeister, Cédric; Roisnel, Thierry; Thomas, Christophe M.; Carpentier, Jean-François; Renaud, Jean-Luc","Synthesis of new dipyridinylamine and dipyridinylmethane ligands and their coordination chemistry with Mg(ii) and Zn(ii)","New Journal of Chemistry","2008","32","12","2150","","10.1039/b807258b","","x-ray","0.71073","MoKα","","0.0443","0.0331","","","0.0904","0.0983","","","","","","1.011","","","","has coordinates","180074","2020-10-21","18:00:00",""
"7052018","12.6647","0.0008","14.9762","0.0008","15.2718","0.001","74.519","0.005","83.036","0.005","68.151","0.006","2590.2","0.3","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H45 Ag2 Cl2 N16 O8.5 -","- C48 H44 Ag2 Cl2 N16 O8.5 -","- C96 H88 Ag4 Cl4 N32 O17 -","2","1","","De, Senjuti; Drew, Michael G. B.; Rzepa, Henry S.; Datta, Dipankar","Linking number analysis of a self-assembled lemniscular Möbius-metallamacrocycle","New Journal of Chemistry","2008","32","11","1831","","10.1039/b808269n","","","0.71073","MoKα","","0.1124","0.074","","","0.1432","0.1598","","","","","","1.096","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7052019","9.5751","0.0002","24.2068","0.0004","7.0087","0.0001","90","","105.154","0.0008","90","","1568.01","0.05","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H11 Cl2 N3 O2 Pd -","- C16 H11 Cl2 N3 O2 Pd -","- C64 H44 Cl8 N12 O8 Pd4 -","4","1","","Budzisz, Elzbieta; Lorenz, Ingo-Peter; Mayer, Peter; Paneth, Piotr; Szatkowski, Lukasz; Krajewska, Urszula; Rozalski, Marek; Miernicka, Magdalena","Synthesis, crystal structure, theoretical calculation and cytotoxic effect of new Pt(ii), Pd(ii) and Cu(ii) complexes with pyridine-pyrazoles derivatives","New Journal of Chemistry","2008","32","12","2238","","10.1039/b808301k","","","0.71073","MoKα","","0.047","0.0295","","","0.0714","0.0782","","","","","","1.064","","","","has coordinates","180074","2020-10-21","18:00:00",""
"7052020","8.4188","0.0004","9.2762","0.0004","10.6495","0.0005","83.019","0.002","87.266","0.002","70.3459","0.0016","777.39","0.06","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H22 Cl4 Cu2 N6 O4 -","- C32 H22 Cl4 Cu2 N6 O4 -","- C32 H22 Cl4 Cu2 N6 O4 -","1","0.5","","Budzisz, Elzbieta; Lorenz, Ingo-Peter; Mayer, Peter; Paneth, Piotr; Szatkowski, Lukasz; Krajewska, Urszula; Rozalski, Marek; Miernicka, Magdalena","Synthesis, crystal structure, theoretical calculation and cytotoxic effect of new Pt(ii), Pd(ii) and Cu(ii) complexes with pyridine-pyrazoles derivatives","New Journal of Chemistry","2008","32","12","2238","","10.1039/b808301k","","","0.71073","MoKα","","0.0589","0.0397","","","0.0898","0.0956","","","","","","1.051","","","","has coordinates","180074","2020-10-21","18:00:00",""
"7052021","9.5059","0.0007","12.397","0.0009","14.7096","0.0011","90","","102.928","0.002","90","","1689.5","0.2","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H23 N O -","- C20 H23 N O -","- C80 H92 N4 O4 -","4","1","","Yuan, Ling; Sumpter, Bobby G.; Abboud, Khalil A.; Castellano, Ronald K.","Links between through-bond interactions and assembly structure in simple piperidones","New Journal of Chemistry","2008","32","11","1924","","10.1039/b808818g","","","0.71073","MoKα","","0.0696","0.0333","","","0.0668","0.0708","","","","","","0.787","","","","has coordinates","301851","2025-08-21","20:32:39",""
"7052022","15.1125","0.0012","5.5285","0.0004","23.3378","0.0018","90","","91.899","0.002","90","","1948.8","0.3","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C25 H25 N O -","- C25 H25 N O -","- C100 H100 N4 O4 -","4","1","","Yuan, Ling; Sumpter, Bobby G.; Abboud, Khalil A.; Castellano, Ronald K.","Links between through-bond interactions and assembly structure in simple piperidones","New Journal of Chemistry","2008","32","11","1924","","10.1039/b808818g","","","0.71073","MoKα","","0.0662","0.0379","","","0.089","0.0939","","","","","","0.919","","","","has coordinates,has disorder","301851","2025-08-21","20:32:39",""
"7052023","6.78","0.001","8.097","0.0008","19.707","0.0016","95.732","0.008","96.607","0.009","92.151","0.006","1068","0.2","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C18 H20 N6 O9 -","- C18 H20 N6 O9 -","- C36 H40 N12 O18 -","2","1","","Hofmann, Katja; Schreiter, Katja; Seifert, Andreas; Rüffer, Tobias; Lang, Heinrich; Spange, Stefan","Solvatochromism and linear solvation energy relationship of diol- and proline-functionalized azo dyes using the Kamlet–Taft and Catalán solvent parameter sets","New Journal of Chemistry","2008","32","12","2180","","10.1039/b809055f","","","1.54184","CuKα","","0.0487","0.0343","","","0.0852","0.0917","","","","","","0.941","","","","has coordinates","301851","2025-08-21","20:32:39",""
"7052024","17.986","0.003","18.145","0.003","20.583","0.004","83.817","0.003","64.575","0.003","76.418","0.003","5897","1.8","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C134.5 H168 O10 -","- C134.42 H155.97 O10 -","- C268.84 H311.94 O20 -","2","1","","Dalgarno, Scott J.; Thallapally, Praveen K.; Tian, Jian; Atwood, Jerry L.","Pseudo-polymorphism in the toluene solvate of p-tert-butylcalix[5]arene: structural and gas sorption investigation","New Journal of Chemistry","2008","32","12","2095","","10.1039/b809457h","","","0.71073","MoKα","","0.1561","0.0931","","","0.2466","0.2916","","","","","","1.052","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7052025","13.392","0.003","13.86","0.003","18.433","0.004","92.014","0.004","108.769","0.004","107.867","0.004","3049","1.2","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C69 H86 O5 -","- C69.25 H78 O5 -","- C138.5 H156 O10 -","2","1","","Dalgarno, Scott J.; Thallapally, Praveen K.; Tian, Jian; Atwood, Jerry L.","Pseudo-polymorphism in the toluene solvate of p-tert-butylcalix[5]arene: structural and gas sorption investigation","New Journal of Chemistry","2008","32","12","2095","","10.1039/b809457h","","","0.71073","MoKα","","0.2977","0.115","","","0.2346","0.2927","","","","","","1.046","","","","has coordinates,has disorder","180074","2020-10-21","18:00:00",""
"7052026","6.2135","0.0002","13.7443","0.0004","7.8355","0.0002","90","","106.172","0.002","90","","642.67","0.03","123","2","123","2","","","","","","","","5","P 1 21 1","P 2yb","4","[C2mim][NMes2]","3-ethyl-1-methylimidazolium bis(methanesulfonyl)amide","","- C8 H17 N3 O4 S2 -","- C8 H17 N3 O4 S2 -","- C16 H34 N6 O8 S4 -","2","1","","Dean, Pamela M.; Pringle, Jennifer M.; Forsyth, Craig M.; Scott, Janet L.; MacFarlane, Douglas R.","Interactions in bisamide ionic liquids—insights from a Hirshfeld surface analysis of their crystalline states","New Journal of Chemistry","2008","32","12","2121","","10.1039/b809606f","","","0.71073","MoKα","","0.0256","0.0248","","","0.0614","0.062","","","","","","1.099","","","","has coordinates","301851","2025-08-21","20:32:39",""
"7052027","13.7961","0.0007","10.955","0.006","20.8776","0.001","90","","90","","90","","3155.4","1.7","123","2","123","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","[C4mpyr][NMes2]","1-butyl-1-methyl pyrrolidinium bis(methanesulfonyl)amide","","- C11 H26 N2 O4 S2 -","- C11 H26 N2 O4 S2 -","- C88 H208 N16 O32 S16 -","8","1","","Dean, Pamela M.; Pringle, Jennifer M.; Forsyth, Craig M.; Scott, Janet L.; MacFarlane, Douglas R.","Interactions in bisamide ionic liquids—insights from a Hirshfeld surface analysis of their crystalline states","New Journal of Chemistry","2008","32","12","2121","","10.1039/b809606f","","","0.71073","MoKα","","0.0463","0.0407","","","0.0967","0.1","","","","","","1.136","","","","has coordinates","301851","2025-08-21","20:32:39",""
"7052028","11.3889","0.001","19.1696","0.0017","29.359","0.003","90","","90","","90","","6409.7","1","123","2","123","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C41 H65.5 Eu N Na2 O37.75 S5 -","- C41 H32 Eu N Na2 O33.8 S5 -","- C164 H128 Eu4 N4 Na8 O135.2 S20 -","4","1","","Dalgarno, Scott J.; Warren, John E.; Atwood, Jerry L.; Raston, Colin L.","Versatility of p-sulfonatocalix[5]arene in building up multicomponent bilayers","New Journal of Chemistry","2008","32","12","2100","","10.1039/b810229e","","","0.6903","Synchrotron","","0.0742","0.0542","","","0.138","0.1521","","","","","","1.031","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7052029","19.1391","0.0003","21.8802","0.0003","29.514","0.0005","90","","90","","90","","12359.5","0.3","150","2","150","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C82 H153 Eu2 N2 Na2 O79.5 S10 -","- C82 H64 Eu2 N2 Na O79.5 S10 -","- C328 H256 Eu8 N8 Na4 O318 S40 -","4","0.5","","Dalgarno, Scott J.; Warren, John E.; Atwood, Jerry L.; Raston, Colin L.","Versatility of p-sulfonatocalix[5]arene in building up multicomponent bilayers","New Journal of Chemistry","2008","32","12","2100","","10.1039/b810229e","","","0.71073","MoKα","","0.1044","0.0686","","","0.1802","0.2144","","","","","","1.038","","","","has coordinates,has disorder","287753","2023-11-23","09:34:44",""
"7052030","30.0333","0.0004","19.4301","0.0003","21.3461","0.0007","90","","92.94","0.001","90","","12440.1","0.5","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C45 H60 Eu N Na0.5 O40 S5 -","- C45 H33 Eu N2 O39.5 S5 -","- C360 H264 Eu8 N16 O316 S40 -","8","2","","Dalgarno, Scott J.; Warren, John E.; Atwood, Jerry L.; Raston, Colin L.","Versatility of p-sulfonatocalix[5]arene in building up multicomponent bilayers","New Journal of Chemistry","2008","32","12","2100","","10.1039/b810229e","","","0.71073","MoKα","","0.1377","0.1115","","","0.258","0.2776","","","","","","1.169","","","","has coordinates,has disorder","287753","2023-11-23","09:34:44",""
"7052031","11.8372","0.0004","12.2645","0.0004","15.167","0.0006","106.721","0.002","111.948","0.002","91.773","0.002","1932.05","0.13","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C66 H94 N6 O34 S6 -","- C66 H94 N6 O33.92 S6 -","- C66 H94 N6 O33.92 S6 -","1","0.5","","Lazar, Adina N.; Danylyuk, Oksana; Suwinska, Kinga; Kassab, Rima; Coleman, Anthony W.","Stepped layers in the complexes of para-sulfonatocalix[6]arene with dimethylammonium and bis-6-aminohexylammonium cations","New Journal of Chemistry","2008","32","12","2116","","10.1039/b811130h","","","0.71073","MoKα","","0.1549","0.1345","","","0.3957","0.4148","","","","","","1.848","","","","has coordinates,has disorder","180074","2020-10-21","18:00:00",""
"7052032","12.2408","0.0005","12.442","0.0005","12.8054","0.0005","87.975","0.002","70.696","0.002","75.688","0.002","1781.19","0.13","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H92 N8 O26 S6 -","- C60 H92 N8 O26 S6 -","- C60 H92 N8 O26 S6 -","1","0.5","","Lazar, Adina N.; Danylyuk, Oksana; Suwinska, Kinga; Kassab, Rima; Coleman, Anthony W.","Stepped layers in the complexes of para-sulfonatocalix[6]arene with dimethylammonium and bis-6-aminohexylammonium cations","New Journal of Chemistry","2008","32","12","2116","","10.1039/b811130h","","","0.71073","MoKα","","0.0786","0.0648","","","0.1413","0.1472","","","","","","1.148","","","","has coordinates","301851","2025-08-21","20:32:39",""
"7052033","10.29","0.0005","14.2102","0.0011","22.7217","0.0018","78.549","0.013","82.282","0.014","79.978","0.013","3189.4","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","PyC8TOV.(1.5(H!2$O))","","","- C33 H38 Br N5 O3.5 -","- C33 H38 Br N5 O3.5 -","- C132 H152 Br4 N20 O14 -","4","2","","Suzuki, Kentaro; Matsushita, Michio M.; Hayashi, Hiroyuki; Koga, Noboru; Sugawara, Tadashi","Association-mediated chromism of amphiphilic triphenyl-6-oxoverdazyl","New Journal of Chemistry","2008","32","12","2201","","10.1039/b811207j","","","0.7107","MoKα","","0.1703","0.0623","","","0.1279","0.16","","","","","","0.96","","","","has coordinates,has disorder","180074","2020-10-21","18:00:00",""
"7052034","31.6107","0.0011","11.2967","0.0003","17.4711","0.0006","90","","96.688","0.002","90","","6196.4","0.3","100","2","100","2","","","","","","","synthesis as described","5","C 1 2/c 1","-C 2yc","15","","","","- C31 H49 N5 O Zn -","- C31 H49 N5 O Zn -","- C248 H392 N40 O8 Zn8 -","8","1","","Zheng, Zhanjiang; Zhao, Gang; Fablet, Rémy; Bouyahyi, Miloud; Thomas, Christophe M.; Roisnel, Thierry; Casagrande Jr, Osvaldo; Carpentier, Jean-François","Zinc and enolato-magnesium complexes based on bi-, tri- and tetradentate aminophenolate ligands","New Journal of Chemistry","2008","32","12","2279","","10.1039/b812754a","","x-ray","0.71073","MoKα","","0.0686","0.0414","","","0.1072","0.1196","","","","","","1.035","","","","has coordinates","180074","2020-10-21","18:00:00",""
"7052035","11.7495","0.0004","14.5448","0.0005","14.7216","0.0005","62.3027","0.0017","88.2672","0.0017","67.8521","0.0017","2030.69","0.13","100","2","100","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C35 H62 N6 O Si2 Zn -","- C35 H62 N6 O Si2 Zn -","- C70 H124 N12 O2 Si4 Zn2 -","2","1","","Zheng, Zhanjiang; Zhao, Gang; Fablet, Rémy; Bouyahyi, Miloud; Thomas, Christophe M.; Roisnel, Thierry; Casagrande Jr, Osvaldo; Carpentier, Jean-François","Zinc and enolato-magnesium complexes based on bi-, tri- and tetradentate aminophenolate ligands","New Journal of Chemistry","2008","32","12","2279","","10.1039/b812754a","","x-ray","0.71073","MoKα","","0.0583","0.041","","","0.097","0.1059","","","","","","1.008","","","","has coordinates","180074","2020-10-21","18:00:00",""
"7052036","13.9651","0.0002","17.5917","0.0002","21.1494","0.0003","76.899","0.001","79.383","0.001","67.288","0.001","4640.99","0.11","100","2","100","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C30 H40 N2 O Zn -","- C30 H40 N2 O Zn -","- C180 H240 N12 O6 Zn6 -","6","3","","Zheng, Zhanjiang; Zhao, Gang; Fablet, Rémy; Bouyahyi, Miloud; Thomas, Christophe M.; Roisnel, Thierry; Casagrande Jr, Osvaldo; Carpentier, Jean-François","Zinc and enolato-magnesium complexes based on bi-, tri- and tetradentate aminophenolate ligands","New Journal of Chemistry","2008","32","12","2279","","10.1039/b812754a","","x-ray","0.71073","MoKα","","0.1535","0.0913","","","0.2698","0.2911","","","","","","1.06","","","","has coordinates","180074","2020-10-21","18:00:00",""
"7052037","15.2406","0.0008","10.5921","0.0006","48.038","0.003","90","","90","","90","","7754.8","0.8","100","2","100","2","","","","","","","synthesis as described","6","P c a 21","P 2c -2ac","29","","","","- C34 H53 N3 O Si2 Zn -","- C34 H53 N3 O Si2 Zn -","- C272 H424 N24 O8 Si16 Zn8 -","8","2","","Zheng, Zhanjiang; Zhao, Gang; Fablet, Rémy; Bouyahyi, Miloud; Thomas, Christophe M.; Roisnel, Thierry; Casagrande Jr, Osvaldo; Carpentier, Jean-François","Zinc and enolato-magnesium complexes based on bi-, tri- and tetradentate aminophenolate ligands","New Journal of Chemistry","2008","32","12","2279","","10.1039/b812754a","","x-ray","0.71073","MoKα","","0.1008","0.0843","","","0.2289","0.2364","","","","","","1.179","","","","has coordinates","301851","2025-08-21","20:32:39",""
"7052038","10.646","0.002","14.508","0.003","16.75","0.004","85.05","0.01","75.882","0.01","80.339","0.01","2470.6","0.9","100","2","100","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C58 H72 N2 O2 Zn -","- C58 H72 N2 O2 Zn -","- C116 H144 N4 O4 Zn2 -","2","1","","Zheng, Zhanjiang; Zhao, Gang; Fablet, Rémy; Bouyahyi, Miloud; Thomas, Christophe M.; Roisnel, Thierry; Casagrande Jr, Osvaldo; Carpentier, Jean-François","Zinc and enolato-magnesium complexes based on bi-, tri- and tetradentate aminophenolate ligands","New Journal of Chemistry","2008","32","12","2279","","10.1039/b812754a","","x-ray","0.71073","MoKα","","0.0582","0.0391","","","0.0831","0.0914","","","","","","1.012","","","","has coordinates,has disorder","301851","2025-08-21","20:32:39",""
"7052039","10.4793","0.0006","22.4925","0.0013","15.5746","0.0009","90","","108.702","0.004","90","","3477.2","0.4","100","2","100","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H47 Mg N3 O2 -","- C38 H47 Mg N3 O2 -","- C152 H188 Mg4 N12 O8 -","4","1","","Zheng, Zhanjiang; Zhao, Gang; Fablet, Rémy; Bouyahyi, Miloud; Thomas, Christophe M.; Roisnel, Thierry; Casagrande Jr, Osvaldo; Carpentier, Jean-François","Zinc and enolato-magnesium complexes based on bi-, tri- and tetradentate aminophenolate ligands","New Journal of Chemistry","2008","32","12","2279","","10.1039/b812754a","","x-ray","0.71073","MoKα","","0.1053","0.0542","","","0.1196","0.1402","","","","","","1.012","","","","has coordinates","180074","2020-10-21","18:00:00",""
"7053712","12.434","0.001","14.692","0.001","20.783","0.001","100.088","0.003","93.337","0.003","103.419","0.004","3616.5","0.4","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C104.5 H30 F30 O4 -","- C104.5 H26 F30 O4 -","- C209 H52 F60 O8 -","2","1","","Ovchinnikova, Nataliya S.; Ignat’eva, Daria V.; Tamm, Nadezhda B.; Avdoshenko, Stanislav M.; Goryunkov, Alexey A.; Ioffe, Ilya N.; Markov, Vitaliy Yu.; Troyanov, Sergey I.; Sidorov, Lev N.; Yurovskaya, Marina A.; Kemnitz, Erhard","Regioselective synthesis and crystal structure of C70(CF3)10[C(CO2Et)2]","New Journal of Chemistry","2008","32","1","89","","10.1039/b704924b","","","0.91","synchrotron","","0.1443","0.1201","","","0.3154","0.3231","","","","","","1.081","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7053715","12.0233","0.0011","13.974","0.0014","14.7666","0.0015","64.168","0.002","85.56","0.003","89.213","0.002","2225.8","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H32 Cl Ir N2 -","- C21 H32 Cl Ir N2 -","- C84 H128 Cl4 Ir4 N8 -","4","2","","Zanardi, Alessandro; Peris, Eduardo; Mata, Jose A.","Alkenyl-functionalized NHC iridium-based catalysts for hydrosilylation","New Journal of Chemistry","2008","32","1","120","","10.1039/b707280e","","","0.71073","MoK\α","","0.0897","0.0467","","","0.1019","0.1205","","","","","","1.004","","","","has coordinates","180091","2020-10-21","18:00:00",""
"7053716","8.1277","0.0004","36.568","0.002","12.0502","0.0006","90","","99.535","0.001","90","","3532","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17 H24 B F4 Ir N2 -","- C17 H24 B F4 Ir N2 -","- C136 H192 B8 F32 Ir8 N16 -","8","2","","Zanardi, Alessandro; Peris, Eduardo; Mata, Jose A.","Alkenyl-functionalized NHC iridium-based catalysts for hydrosilylation","New Journal of Chemistry","2008","32","1","120","","10.1039/b707280e","","x-ray","0.71073","MoK\α","","0.0953","0.0448","","","0.0778","0.0942","","","","","","1.047","","","","has coordinates","180091","2020-10-21","18:00:00",""
"7053717","15.29","0.0011","10.7009","0.0008","12.7347","0.001","90","","96.789","0.002","90","","2069","0.3","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C17 H22 Cl2 F6 Ir N2 P -","- C17 H22 Cl2 F6 Ir N2 P -","- C68 H88 Cl8 F24 Ir4 N8 P4 -","4","1","","Zanardi, Alessandro; Peris, Eduardo; Mata, Jose A.","Alkenyl-functionalized NHC iridium-based catalysts for hydrosilylation","New Journal of Chemistry","2008","32","1","120","","10.1039/b707280e","","x-ray","0.71073","MoK\α","","0.075","0.0525","","","0.1315","0.1743","","","","","","1.117","","","","has coordinates","180091","2020-10-21","18:00:00",""
"7053718","15.004","0.002","14.696","0.002","20.069","0.003","90","","106.691","0.003","90","","4238.7","1","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C40 H49 N4 O9.5 S2.5 Zn2 -","- C40 H49 N4 O9.5 S2.5 Zn2 -","- C160 H196 N16 O38 S10 Zn8 -","4","1","","Fondo, Matilde; García-Deibe, Ana M.; Ocampo, Noelia; Sanmartín, Jesús; Bermejo, Manuel R.; Oliveira, Elisabete; Lodeiro, Carlos","From dinuclear to tetranuclear zinc complexes through carboxylate donors: structural and luminescence studies","New Journal of Chemistry","2008","32","2","247","","10.1039/b710660b","","","0.71073","MoKα","","0.0802","0.046","","","0.1128","0.1351","","","","","","1.06","","","","has coordinates,has disorder","198633","2020-10-21","18:00:00",""
"7053719","10.184","0.002","11.268","0.003","19.979","0.005","92.722","0.004","104.558","0.004","111.284","0.004","2043.1","0.9","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C75 H103 N8 O19.5 Zn4 -","- C75 H103 N8 O19.5 Zn4 -","- C75 H103 N8 O19.5 Zn4 -","1","0.5","","Fondo, Matilde; García-Deibe, Ana M.; Ocampo, Noelia; Sanmartín, Jesús; Bermejo, Manuel R.; Oliveira, Elisabete; Lodeiro, Carlos","From dinuclear to tetranuclear zinc complexes through carboxylate donors: structural and luminescence studies","New Journal of Chemistry","2008","32","2","247","","10.1039/b710660b","","","0.71073","MoKα","","0.0594","0.0465","","","0.1411","0.1502","","","","","","1.1","","","","has coordinates,has disorder","301851","2025-08-21","20:32:45",""
"7053720","16.69","0.001","18.584","0.001","23.409","0.001","90","","97.59","0.01","90","","7197.1","0.7","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C59.75 H68 N8.5 O15 Zn4 -","- C59.75 H68 N8.5 O15 Zn4 -","- C239 H272 N34 O60 Zn16 -","4","1","","Fondo, Matilde; García-Deibe, Ana M.; Ocampo, Noelia; Sanmartín, Jesús; Bermejo, Manuel R.; Oliveira, Elisabete; Lodeiro, Carlos","From dinuclear to tetranuclear zinc complexes through carboxylate donors: structural and luminescence studies","New Journal of Chemistry","2008","32","2","247","","10.1039/b710660b","","","0.71073","MoKα","","0.1154","0.077","","","0.23","0.2555","","","","","","1.035","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7053721","19.312","0.001","22.964","0.001","17.884","0.001","90","","106.233","0.002","90","","7615","0.7","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C58.25 H61.5 Br6 N8 O17.25 Zn4 -","- C58.25 H61.5 Br6 N8 O17.25 Zn4 -","- C233 H246 Br24 N32 O69 Zn16 -","4","1","","Fondo, Matilde; García-Deibe, Ana M.; Ocampo, Noelia; Sanmartín, Jesús; Bermejo, Manuel R.; Oliveira, Elisabete; Lodeiro, Carlos","From dinuclear to tetranuclear zinc complexes through carboxylate donors: structural and luminescence studies","New Journal of Chemistry","2008","32","2","247","","10.1039/b710660b","","","0.71073","MoKα","","0.1147","0.059","","","0.1432","0.1622","","","","","","0.984","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7053722","4.2896","0.0005","5.4645","0.0006","17.528","0.002","90","","91.449","0.002","90","","410.73","0.08","293","2","293","2","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C6 H5 Cl N6 -","- C6 H5 Cl N6 -","- C12 H10 Cl2 N12 -","2","1","","Casarin, Maurizio; Garau, Federica; Monari, Magda; Pandolfo, Luciano; Pettinari, Claudio; Venzo, Alfonso","An experimental and theoretical investigation of the molecular and electronic structure of 2-amino-4-chloro-6-pyrazolyl-[1,3,5]triazine, forming supramolecular linear tapes in the solid state","New Journal of Chemistry","2008","32","2","358","","10.1039/b711136c","","","0.71073","MoKα","","0.027","0.0261","","","0.0696","0.07","","","","","","1.094","","","","has coordinates","301851","2025-08-21","20:32:45",""
"7053723","8.7388","0.0015","14.988","0.002","25.469","0.004","90","","94.227","0.002","90","","3326.8","0.9","93","2","93","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C35 H37 N4 O2 P Pt -","- C35 H35 N4 O2 P Pt -","- C140 H140 N16 O8 P4 Pt4 -","4","1","","Fuentes, José A.; Clarke, Matthew L.; Z. Slawin, Alexandra M.","A supramolecular approach to chiral ligand modification: coordination chemistry of a multifunctionalised tridentate amine-phosphine ligand","New Journal of Chemistry","2008","32","4","689","","10.1039/b712612c","","","0.71073","MoKα","","0.0479","0.044","","","0.1068","0.1095","","","","","","1.062","","","","has coordinates","180091","2020-10-21","18:00:00",""
"7053726","15.073","0.0004","7.7163","0.0002","12.8686","0.0002","90","","104.784","0.002","90","","1447.17","0.06","233","2","233","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H16 Fe N2 -","- C19 H16 Fe N2 -","- C76 H64 Fe4 N8 -","4","1","","Horvath, Ulrike E. I.; Bentivoglio, Gino; Hummel, Michael; Schottenberger, Herwig; Wurst, Klaus; Nell, Margo J.; van Rensburg, Constance E. J.; Cronje, Stephanie; Raubenheimer, Helgard G.","A cytotoxic bis(carbene)gold(i) complex of ferrocenyl complexes: synthesis and structural characterisation","New Journal of Chemistry","2008","32","3","533","","10.1039/b713917a","","","0.71073","MoKα","","0.0263","0.0234","","","0.0627","0.0646","","","","","","1.033","","","","has coordinates,has disorder","301851","2025-08-21","20:32:45",""
"7053727","9.891","0.0015","18.733","0.003","11.4611","0.0019","90","","99.699","0.003","90","","2093.3","0.6","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","UH123","","","- C23 H23 B F4 Fe N2 -","- C23 H23 B F4 Fe N2 -","- C92 H92 B4 F16 Fe4 N8 -","4","1","","Horvath, Ulrike E. I.; Bentivoglio, Gino; Hummel, Michael; Schottenberger, Herwig; Wurst, Klaus; Nell, Margo J.; van Rensburg, Constance E. J.; Cronje, Stephanie; Raubenheimer, Helgard G.","A cytotoxic bis(carbene)gold(i) complex of ferrocenyl complexes: synthesis and structural characterisation","New Journal of Chemistry","2008","32","3","533","","10.1039/b713917a","","","0.71073","MoKα","","0.079","0.0493","","","0.1093","0.1217","","","","","","1.02","","","","has coordinates","180091","2020-10-21","18:00:00",""
"7053728","22.0699","0.0016","22.0699","0.0016","25.746","0.004","90","","90","","120","","10860","2","100","2","100","2","","","","","","","","8","R -3 :H","-R 3","148","UH124","","","- C48 H48 Au B Cl4 F4 Fe2 N4 -","- C48 H48 Au B Cl4 F4 Fe2 N4 -","- C432 H432 Au9 B9 Cl36 F36 Fe18 N36 -","9","0.5","","Horvath, Ulrike E. I.; Bentivoglio, Gino; Hummel, Michael; Schottenberger, Herwig; Wurst, Klaus; Nell, Margo J.; van Rensburg, Constance E. J.; Cronje, Stephanie; Raubenheimer, Helgard G.","A cytotoxic bis(carbene)gold(i) complex of ferrocenyl complexes: synthesis and structural characterisation","New Journal of Chemistry","2008","32","3","533","","10.1039/b713917a","","","0.71073","MoKα","","0.0929","0.0521","","","0.1261","0.1411","","","","","","0.922","","","","has coordinates","180091","2020-10-21","18:00:00",""
"7053729","15.3994","0.0006","9.3582","0.0004","14.7688","0.0006","90","","110.351","0.002","90","","1995.49","0.14","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H21 Fe N3 O2 -","- C24 H21 Fe N3 O2 -","- C96 H84 Fe4 N12 O8 -","4","1","","Arroyo, Marta; Birkin, Peter R.; Gale, Philip A.; García-Garrido, Sergio E.; Light, Mark E.","Anion-triggered electrodeposition in ferrocene-functionalised ortho-phenylenediamine-based receptors","New Journal of Chemistry","2008","32","7","1221","","10.1039/b715125j","","","0.71073","MoKα","","0.0965","0.0719","","","0.1321","0.1431","","","","","","1.121","","","","has coordinates","180091","2020-10-21","18:00:00",""
"7053730","12.555","0.0016","30.99","0.003","18.6914","0.0019","90","","108.095","0.01","90","","6912.8","1.4","180","","180","","","","","","","","synthesis as described","6","P 1 21/n 1","-P 2yn","14","","","","- C62 H61 Cu2 Gd2 N10 O28.5 -","- C62 H56 Cu2 Gd2 N10 O28.5 -","- C248 H224 Cu8 Gd8 N40 O114 -","4","1","","Novitchi, Ghenadie; Costes, Jean-Pierre; Tuchagues, Jean-Pierre; Vendier, Laure; Wernsdorfer, Wolfgang","A single molecule magnet (SMM) with a helicate structure","New Journal of Chemistry","2008","32","2","197","","10.1039/b716283a","","","","MoKα","","0.1116","0.0871","","","0.2323","0.2672","","","","","","1.111","","","","has coordinates","180091","2020-10-21","18:00:00",""
"7053731","27.132","0.005","9.4203","0.0016","30.586","0.005","90","","103.68","0.006","90","","7596","2","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C62 H73 F36 N7 P6 -","- C60 H70 F36 N6 P6 -","- C240 H280 F144 N24 P24 -","4","1","","Dickson, Sara Jane; Wallace, Emma V. B.; Swinburne, Adam N.; Paterson, Martin J.; Lloyd, Gareth O.; Beeby, Andrew; Belcher, Warwick J.; Steed, Jonathan W.","Intramolecular binding site competition as a means of tuning the response of a colourimetric anion sensor","New Journal of Chemistry","2008","32","5","786","","10.1039/b800094h","","","0.71073","MoKα","","0.2144","0.1146","","","0.2889","0.3316","","","","","","0.974","","","","has coordinates,has disorder","180091","2020-10-21","18:00:00",""
"7053732","23.061","0.002","13.5958","0.0014","20.094","0.002","90","","90","","90","","6300.1","1.1","190","1","190","1","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C27 H36 Cl3 N4 O5 Pr -","- C26 H30 Cl3 N4 O3 Pr -","- C208 H240 Cl24 N32 O24 Pr8 -","8","1","","Bučar, Dejan-Krešimir; Papaefstathiou, Giannis S.; Hamilton, Tamara D.; MacGillivray, Leonard R.","A lanthanide-based helicate coordination polymer derived from a rigid monodentate organic bridge synthesized in the solid state","New Journal of Chemistry","2008","32","5","797","","10.1039/b800878g","","","0.71073","MoKα","","0.0489","0.0246","","","0.0441","0.046","","","","","","0.85","","","","has coordinates","180091","2020-10-21","18:00:00",""
"7053733","23.02","0.003","16.8687","0.0018","13.8344","0.0015","90","","96.593","0.005","90","","5336.6","1.1","200","1","200","1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C49.59 H52.85 N11 O13.84 Pr -","- C49.586 H50.3452 N11 O13.828 Pr -","- C198.344 H201.381 N44 O55.312 Pr4 -","4","0.5","","Bučar, Dejan-Krešimir; Papaefstathiou, Giannis S.; Hamilton, Tamara D.; MacGillivray, Leonard R.","A lanthanide-based helicate coordination polymer derived from a rigid monodentate organic bridge synthesized in the solid state","New Journal of Chemistry","2008","32","5","797","","10.1039/b800878g","","","0.71073","MoKα","","0.0425","0.0332","","","0.0696","0.072","","","","","","1.049","","","","has coordinates,has disorder","180091","2020-10-21","18:00:00",""
"7053734","12.305","0.001","12.911","0.001","19.409","0.002","90","","105.578","0.002","90","","2970.2","0.5","163.2","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C70 H79 N O4 -","- C70 H69 N O4 -","- C140 H138 N2 O8 -","2","1","","Solovyov, Andrew; Notestein, Justin M.; Durkin, Kathleen A.; Katz, Alexander","Graftable chiral ligands for surface organometallic materials: calixarenes bearing asymmetric centers directly attached to the lower rim","New Journal of Chemistry","2008","32","8","1314","","10.1039/b801434p","","","0.7107","MoKα","","0.101","0.0816","","0.0865","","0.0847","","","","","","3.182","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7053735","13.17","0.001","19.498","0.002","14.88","0.002","90","","107.687","0.002","90","","3640.4","0.7","180.2","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C78 H110 N2 O12 -","- C78 H104 N2 O12 -","- C156 H208 N4 O24 -","2","1","","Solovyov, Andrew; Notestein, Justin M.; Durkin, Kathleen A.; Katz, Alexander","Graftable chiral ligands for surface organometallic materials: calixarenes bearing asymmetric centers directly attached to the lower rim","New Journal of Chemistry","2008","32","8","1314","","10.1039/b801434p","","","0.7107","MoKα","","0.0896","0.0582","","0.0634","","0.0587","","","","","","1.674","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7053736","11.039","0.007","11.132","0.007","20.671","0.013","90","","102.729","0.011","90","","2478","3","299","2","299","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H18 N3 O3 Re -","- C28 H18 N3 O3 Re -","- C112 H72 N12 O12 Re4 -","4","1","","Cuesta, Luciano; Morales, Dolores; Pérez, Julio; Miguel, Daniel","A new route for the synthesis of an alkylideneamido complex","New Journal of Chemistry","2008","32","6","917","","10.1039/b801799a","","","0.71073","MoKα","","0.072","0.0401","","","0.0766","0.0836","","","","","","1.035","","","","has coordinates","180091","2020-10-21","18:00:00",""
"7053737","13.7391","0.0004","11.559","0.0004","14.6082","0.0005","90","","100.743","0.002","90","","2279.27","0.13","173","2","173","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","chloromethylpyridylrheniumbipytricarbonyPF6","3-chloromethylpyridylbipyridylrheniumtricarbonylhexafluorophosphate","","- C19 H14 Cl F6 N3 O3 P Re -","- C19 H14 Cl F6 N3 O3 P Re -","- C76 H56 Cl4 F24 N12 O12 P4 Re4 -","4","1","","Amoroso, Angelo J.; Arthur, Richard J.; Coogan, Michael P.; Court, Jonathan B.; Fernández-Moreira, Vanesa; Hayes, Anthony J.; Lloyd, David; Millet, Coralie; Pope, Simon J. A.","3-Chloromethylpyridyl bipyridine fac-tricarbonyl rhenium: a thiol-reactive luminophore for fluorescence microscopy accumulates in mitochondria","New Journal of Chemistry","2008","32","7","1097","","10.1039/b802215a","","","0.71073","MoKα","","0.0798","0.0503","","","0.1094","0.1219","","","","","","1.023","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7053738","19.4965","0.0015","8.5428","0.0007","6.2274","0.0005","90","","90","","90","","1037.2","0.14","193","2","193","2","","","","","","","","5","P n a 21","P 2c -2n","33","1-Methyl-4-cyanopyridinium methylsulfate","1-Methyl-4-cyanopyridinium methylsulfate","","- C8 H10 N2 O4 S -","- C8 H10 N2 O4 S -","- C32 H40 N8 O16 S4 -","4","1","","Hardacre, Christopher; Holbrey, John D.; Mullan, Claire L.; Nieuwenhuyzen, Mark; Reichert, W. Matthew; Seddon, Kenneth R.; Teat, Simon J.","Ionic liquid characteristics of 1-alkyl-n-cyanopyridinium and 1-alkyl-n-(trifluoromethyl)pyridinium salts","New Journal of Chemistry","2008","32","11","1953","","10.1039/b805063e","","","0.7749","synchrotronradiation","","0.0422","0.0352","","","0.1016","0.1177","","","","","","1.15","","","","has coordinates","301851","2025-08-21","20:32:45",""
"7053739","10.8446","0.0015","12.866","0.002","13.2369","0.0019","90.366","0.005","90.689","0.004","114.836","0.003","1675.8","0.4","193","2","193","2","","","","","","","","6","P -1","-P 1","2","1-Ethyl-3-(trifluoromethyl)pyridinium bis((trifluoromethyl)sulfonyl)amide","1-Ethyl-3-(trifluoromethyl)pyridinium bis{(trifluoromethyl)sulfonyl}amide","","- C10 H9 F9 N2 O4 S2 -","- C9.752 H9 F8.256 N2 O4 S2 -","- C39.008 H36 F33.024 N8 O16 S8 -","4","2","","Hardacre, Christopher; Holbrey, John D.; Mullan, Claire L.; Nieuwenhuyzen, Mark; Reichert, W. Matthew; Seddon, Kenneth R.; Teat, Simon J.","Ionic liquid characteristics of 1-alkyl-n-cyanopyridinium and 1-alkyl-n-(trifluoromethyl)pyridinium salts","New Journal of Chemistry","2008","32","11","1953","","10.1039/b805063e","","","0.7749","synchrotronradiation","","0.1033","0.0792","","","0.2184","0.2397","","","","","","0.992","","","","has coordinates","180091","2020-10-21","18:00:00",""
"7053740","11.4431","0.0011","11.8766","0.0011","12.1955","0.0011","90","","114.779","0.002","90","","1504.8","0.2","193","2","193","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","1-Methyl-4-cyanopyridinium bis{(trifluoromethyl)sulfonyl}amide","","- C9 H7 F6 N3 O4 S2 -","- C9 H7 F6 N3 O4 S2 -","- C36 H28 F24 N12 O16 S8 -","4","1","","Hardacre, Christopher; Holbrey, John D.; Mullan, Claire L.; Nieuwenhuyzen, Mark; Reichert, W. Matthew; Seddon, Kenneth R.; Teat, Simon J.","Ionic liquid characteristics of 1-alkyl-n-cyanopyridinium and 1-alkyl-n-(trifluoromethyl)pyridinium salts","New Journal of Chemistry","2008","32","11","1953","","10.1039/b805063e","","","0.7749","synchrotronradiation","","0.1064","0.099","","","0.3419","0.3582","","","","","","1.782","","","","has coordinates","301851","2025-08-21","20:32:45",""
"7053741","9.7224","0.0012","10.7874","0.0014","16.19","0.002","90","","103.573","0.002","90","","1650.6","0.4","193","2","193","2","","","","","","","","6","C 1 c 1","C -2yc","9","","1-Ethyl-4-cyanopyridinium bis{(trifluoromethyl)sulfonyl}amide","","- C10 H10 F6 N3 O4 S2 -","- C10 H9 F6 N3 O4 S2 -","- C40 H36 F24 N12 O16 S8 -","4","1","","Hardacre, Christopher; Holbrey, John D.; Mullan, Claire L.; Nieuwenhuyzen, Mark; Reichert, W. Matthew; Seddon, Kenneth R.; Teat, Simon J.","Ionic liquid characteristics of 1-alkyl-n-cyanopyridinium and 1-alkyl-n-(trifluoromethyl)pyridinium salts","New Journal of Chemistry","2008","32","11","1953","","10.1039/b805063e","","","0.7749","synchrotronradiation","","0.1203","0.1118","","","0.3035","0.3166","","","","","","1.275","","","","has coordinates","180091","2020-10-21","18:00:00",""
"7053742","7.462","0.0006","26.715","0.002","7.8762","0.0007","90","","113.876","0.002","90","","1435.7","0.2","193","2","193","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","1-Methyl-3-cyanopyridinium bis{(trifluoromethyl)sulfonyl}amide","","- C9 H7 F6 N3 O4 S2 -","- C9 H7 F6 N3 O4 S2 -","- C36 H28 F24 N12 O16 S8 -","4","1","","Hardacre, Christopher; Holbrey, John D.; Mullan, Claire L.; Nieuwenhuyzen, Mark; Reichert, W. Matthew; Seddon, Kenneth R.; Teat, Simon J.","Ionic liquid characteristics of 1-alkyl-n-cyanopyridinium and 1-alkyl-n-(trifluoromethyl)pyridinium salts","New Journal of Chemistry","2008","32","11","1953","","10.1039/b805063e","","","0.7749","synchrotronradiation","","0.053","0.0449","","","0.1349","0.1504","","","","","","1.154","","","","has coordinates","301851","2025-08-21","20:32:45",""
"7053743","8.226","0.008","15.886","0.015","12.553","0.012","90","","91.871","0.018","90","","1640","3","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","1-Ethyl-3-cyanopyridinium bis{(trifluoromethyl)sulfonyl}amide","","- C10 H9 F6 N3 O4 S2 -","- C10 H9 F6 N3 O4 S2 -","- C40 H36 F24 N12 O16 S8 -","4","1","","Hardacre, Christopher; Holbrey, John D.; Mullan, Claire L.; Nieuwenhuyzen, Mark; Reichert, W. Matthew; Seddon, Kenneth R.; Teat, Simon J.","Ionic liquid characteristics of 1-alkyl-n-cyanopyridinium and 1-alkyl-n-(trifluoromethyl)pyridinium salts","New Journal of Chemistry","2008","32","11","1953","","10.1039/b805063e","","","0.71073","MoKα","","0.1343","0.0909","","","0.2428","0.2954","","","","","","1.042","","","","has coordinates","301851","2025-08-21","20:32:45",""
"7053744","12.29","0.016","13.837","0.02","19.51","0.03","90","","90","","90","","3318","8","298","2","298","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","1-Ethyl-2-cyanopyridinium bis{(trifluoromethyl)sulfonyl}amide","","- C10 H9 F6 N3 O4 S2 -","- C10 H9 F6 N3 O4 S2 -","- C80 H72 F48 N24 O32 S16 -","8","2","","Hardacre, Christopher; Holbrey, John D.; Mullan, Claire L.; Nieuwenhuyzen, Mark; Reichert, W. Matthew; Seddon, Kenneth R.; Teat, Simon J.","Ionic liquid characteristics of 1-alkyl-n-cyanopyridinium and 1-alkyl-n-(trifluoromethyl)pyridinium salts","New Journal of Chemistry","2008","32","11","1953","","10.1039/b805063e","","","0.71073","MoKα","","0.1624","0.0775","","","0.1819","0.2581","","","","","","1.014","","","","has coordinates","301851","2025-08-21","20:32:45",""
"7053745","8.71","0.005","28.868","0.007","31.206","0.006","90","","90","","90","","7846","5","293","2","293","2","","","","","","","","6","F 2 d d","F -2d 2","43","","","","- C12 H31.5 N O11 P0.5 S0.5 -","- C12 H24 N O11 P0.5 S0.5 -","- C192 H384 N16 O176 P8 S8 -","16","1","","Braga, Dario; Modena, Enrico; Polito, Marco; Rubini, Katia; Grepioni, Fabrizia","Crystal forms of highly “dynamic” 18-crown[6] complexes with M[HSO4] and M[H2PO4] (M+ = NH4+, Rb+, Cs+): thermal behaviour and solid-state preparation","New Journal of Chemistry","2008","32","10","1718","","10.1039/b805203d","","","0.71073","MoKα","","0.0912","0.0598","","","0.1613","0.1875","","","","","","1.044","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7053746","19.802","0.004","8.447","0.004","25.777","0.007","90","","101","0.02","90","","4232","2","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C12 H31.5 O13 P0.5 Rb S0.5 -","- C12 H24 O13 P0.5 Rb S0.5 -","- C96 H192 O104 P4 Rb8 S4 -","8","1","","Braga, Dario; Modena, Enrico; Polito, Marco; Rubini, Katia; Grepioni, Fabrizia","Crystal forms of highly “dynamic” 18-crown[6] complexes with M[HSO4] and M[H2PO4] (M+ = NH4+, Rb+, Cs+): thermal behaviour and solid-state preparation","New Journal of Chemistry","2008","32","10","1718","","10.1039/b805203d","","","0.71073","MoKα","","0.0744","0.039","","","0.1008","0.1124","","","","","","0.998","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7053747","19.84","0.007","8.46","0.004","26.19","0.018","90","","101.14","0.06","90","","4313","4","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C12 H31.5 Cs O13 P0.5 S0.5 -","- C12 H24 Cs O13 P0.5 S0.5 -","- C96 H192 Cs8 O104 P4 S4 -","8","1","","Braga, Dario; Modena, Enrico; Polito, Marco; Rubini, Katia; Grepioni, Fabrizia","Crystal forms of highly “dynamic” 18-crown[6] complexes with M[HSO4] and M[H2PO4] (M+ = NH4+, Rb+, Cs+): thermal behaviour and solid-state preparation","New Journal of Chemistry","2008","32","10","1718","","10.1039/b805203d","","","0.71073","MoKα","","0.0765","0.0661","","","0.2049","0.2168","","","","","","1.04","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7053748","11.064","0.004","8.655","0.003","22.644","0.008","90","","100.907","0.006","90","","2129.2","1.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H58 Cs2 O24 S2 -","- C24 H48 Cs2 O24 S2 -","- C48 H96 Cs4 O48 S4 -","2","0.5","","Braga, Dario; Modena, Enrico; Polito, Marco; Rubini, Katia; Grepioni, Fabrizia","Crystal forms of highly “dynamic” 18-crown[6] complexes with M[HSO4] and M[H2PO4] (M+ = NH4+, Rb+, Cs+): thermal behaviour and solid-state preparation","New Journal of Chemistry","2008","32","10","1718","","10.1039/b805203d","","","0.71073","MoKα","","0.0524","0.0333","","","0.0762","0.0835","","","","","","0.871","","","","has coordinates,has disorder","180091","2020-10-21","18:00:00",""
"7053749","11.3081","0.0002","13.0763","0.0003","21.1935","0.0004","78.42","0.001","84.284","0.001","88.925","0.001","3054.79","0.11","173","2","173","2","","","","","","","","5","P 1","P 1","1","","","","- C129.5 H126 N8 O29.5 U4 -","- C129.5 H126 N8 O29.5 U4 -","- C129.5 H126 N8 O29.5 U4 -","1","1","","Cametti, Massimo; Dalla Cort, Antonella; Mandolini, Luigi; Nissinen, Maija; Rissanen, Kari","Specific recognition of fluoride anion using a metallamacrocycle incorporating a uranyl-salen unit","New Journal of Chemistry","2008","32","7","1113","","10.1039/b806149a","","","0.71069","MoKα","","0.0486","0.0442","","","0.1121","0.1186","","","","","","1.058","","","","has coordinates","301851","2025-08-21","20:32:45",""
"7053750","17.6804","0.0002","18.0029","0.0004","10.2337","0.0004","90","","90","","90","","3257.37","0.15","150","2","150","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C39 H38 N3 O4.5 -","- C39 H37 N3 O4.5 -","- C156 H148 N12 O18 -","4","1","","Suwinska, Kinga; Shkurenko, Oleksandr; Mbemba, Cyrille; Leydier, Antoine; Jebors, Said; Coleman, Anthony W.; Matar, Rima; Falson, Pierre","Trianionic calix[4]arene monoalkoxy derivatives: synthesis, solid-state structures and self-assembly properties","New Journal of Chemistry","2008","32","11","1988","","10.1039/b806342g","","","0.71073","MoKα","","0.12","0.085","","","0.21","0.231","","","","","","1.03","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7053751","17.6752","0.0005","17.6984","0.0007","10.6227","0.0004","90","0.002","90","0.002","90","0.002","3323","0.2","100","2","100","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C40 H39 N3 O4 -","- C40 H39 N3 O4 -","- C160 H156 N12 O16 -","4","1","","Suwinska, Kinga; Shkurenko, Oleksandr; Mbemba, Cyrille; Leydier, Antoine; Jebors, Said; Coleman, Anthony W.; Matar, Rima; Falson, Pierre","Trianionic calix[4]arene monoalkoxy derivatives: synthesis, solid-state structures and self-assembly properties","New Journal of Chemistry","2008","32","11","1988","","10.1039/b806342g","","","0.71073","MoKα","","0.136","0.093","","","0.222","0.245","","","","","","1.074","","","","has coordinates","301851","2025-08-21","20:32:45",""
"7053752","11.3123","0.0004","11.9398","0.0005","12.7159","0.0004","72.295","0.002","83.791","0.002","74.991","0.002","1579.52","0.1","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C38 H34 N4 O4 -","- C38 H34 N4 O4 -","- C76 H68 N8 O8 -","2","1","","Suwinska, Kinga; Shkurenko, Oleksandr; Mbemba, Cyrille; Leydier, Antoine; Jebors, Said; Coleman, Anthony W.; Matar, Rima; Falson, Pierre","Trianionic calix[4]arene monoalkoxy derivatives: synthesis, solid-state structures and self-assembly properties","New Journal of Chemistry","2008","32","11","1988","","10.1039/b806342g","","","0.71073","MoKα","","0.0702","0.0501","","","0.1094","0.1177","","","","","","1.029","","","","has coordinates","301851","2025-08-21","20:32:45",""
"7053753","9.6286","0.0003","19.9708","0.0007","15.8164","0.0004","90","","92.258","0.002","90","","3038.99","0.16","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C38 H35 N3 O4 -","- C38 H35 N3 O4 -","- C152 H140 N12 O16 -","4","1","","Suwinska, Kinga; Shkurenko, Oleksandr; Mbemba, Cyrille; Leydier, Antoine; Jebors, Said; Coleman, Anthony W.; Matar, Rima; Falson, Pierre","Trianionic calix[4]arene monoalkoxy derivatives: synthesis, solid-state structures and self-assembly properties","New Journal of Chemistry","2008","32","11","1988","","10.1039/b806342g","","","0.71073","MoKα","","0.1347","0.0795","","","0.1504","0.17","","","","","","1.036","","","","has coordinates","301851","2025-08-21","20:32:45",""
"7053754","16.2996","0.0018","24.9","0.003","5.747","0.0007","90","","90","","90","","2332.5","0.5","100","2","100","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C30 H29 N2 O2.5 -","- C30 H29 N2 O2.5 -","- C120 H116 N8 O10 -","4","1","","Imai, Yoshitane; Kawano, Kenta; Nakano, Yoko; Kawaguchi, Kakuhiro; Harada, Takunori; Sato, Tomohiro; Fujiki, Michiya; Kuroda, Reiko; Matsubara, Yoshio","Control of circularly polarized luminescence (CPL) properties by supramolecular complexation","New Journal of Chemistry","2008","32","7","1110","","10.1039/b806586c","","","0.71073","MoKα","","0.1043","0.0639","","","0.0927","0.1029","","","","","","1.056","","","","has coordinates","301851","2025-08-21","20:32:45",""
"7053755","6.541","0.0004","19.219","0.0005","12.07","0.0006","90","","97.601","0.007","90","","1504.01","0.13","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","GBPL_BenzoicAcid_cocrystal","","","- C16 H21 N O3 -","- C16 H21 N O3 -","- C64 H84 N4 O12 -","4","1","","Braga, Dario; Grepioni, Fabrizia; Maini, Lucia; Rubini, Katia; Polito, Marco; Brescello, Roberto; Cotarca, Livius; Duarte, M. Teresa; André, Vânia; Piedade, M. Fátima M.","Polymorphic gabapentin: thermal behaviour, reactivity and interconversion of forms in solution and solid-state","New Journal of Chemistry","2008","32","10","1788","","10.1039/b809662g","","","0.71069","MoKα","","0.0977","0.0449","","","0.0915","0.1031","","","","","","0.954","","","","has coordinates","301851","2025-08-21","20:32:45",""
"7053756","14.7361","0.0017","6.6656","0.0012","9.89","0.002","90","","106.09","0.006","90","","933.4","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Gabapentin","","","- C9 H17 N O2 -","- C9 H17 N O2 -","- C36 H68 N4 O8 -","4","1","","Braga, Dario; Grepioni, Fabrizia; Maini, Lucia; Rubini, Katia; Polito, Marco; Brescello, Roberto; Cotarca, Livius; Duarte, M. Teresa; André, Vânia; Piedade, M. Fátima M.","Polymorphic gabapentin: thermal behaviour, reactivity and interconversion of forms in solution and solid-state","New Journal of Chemistry","2008","32","10","1788","","10.1039/b809662g","","","0.71073","MoKα","","0.143","0.0654","","","0.153","0.1923","","","","","","0.806","","","","has coordinates","301851","2025-08-21","20:32:45",""
"7053757","30.582","0.009","5.932","0.003","10.915","0.003","90","","108.31","0.02","90","","1879.9","1.2","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Gabapentin","","","- C9 H17 N O2 -","- C9 H17 N O2 -","- C72 H136 N8 O16 -","8","1","","Braga, Dario; Grepioni, Fabrizia; Maini, Lucia; Rubini, Katia; Polito, Marco; Brescello, Roberto; Cotarca, Livius; Duarte, M. Teresa; André, Vânia; Piedade, M. Fátima M.","Polymorphic gabapentin: thermal behaviour, reactivity and interconversion of forms in solution and solid-state","New Journal of Chemistry","2008","32","10","1788","","10.1039/b809662g","","","0.71073","MoKα","","0.064","0.0476","","","0.1248","0.1362","","","","","","1.083","","","","has coordinates","301851","2025-08-21","20:32:45",""