# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2026-01-25T13:52:54+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 = 36 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
"7052817","13.4651","0.0003","13.477","0.0003","13.6637","0.0004","98.499","0.001","93.21","0.001","98.034","0.001","2420.79","0.1","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C56 H64 N2 O10 -","- C56 H64 N2 O10 -","- C112 H128 N4 O20 -","2","1","","McConnell, Anna J.; Serpell, Christopher J.; Beer, Paul D.","Extending the family of heteroditopic calix[4]diquinone receptors for cooperative AND ion-pair recognition","New Journal of Chemistry","2012","36","1","102","","10.1039/c1nj20708c","","","0.71073","MoKα","","0.172","0.0794","","","0.1673","0.2052","","","","","","1.014","","","","has coordinates,has disorder","180082","2020-10-21","18:00:00",""
"7052818","11.503","0.0003","13.4039","0.0004","14.5562","0.0005","76.3517","0.0014","82.0783","0.0015","81.4218","0.0014","2144.24","0.11","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C46.04 H42.59 Cl2.87 N2.54 O10 -","- C46.043 H42.586 Cl2.871 N2.543 O10 -","- C92.086 H85.172 Cl5.742 N5.086 O20 -","2","1","","McConnell, Anna J.; Serpell, Christopher J.; Beer, Paul D.","Extending the family of heteroditopic calix[4]diquinone receptors for cooperative AND ion-pair recognition","New Journal of Chemistry","2012","36","1","102","","10.1039/c1nj20708c","","","0.71073","MoKα","","0.1077","0.0656","","0.1747","0.1499","0.1747","","","","","","1.0028","","","","has coordinates,has disorder","180082","2020-10-21","18:00:00",""
"7052819","12.5858","0.0002","20.2654","0.0002","17.1345","0.0002","90","","99.8495","0.0005","90","","4305.85","0.1","150","","150","","","","","","The material was crystallised at ambient temperature. A suitable crystal was cooled rapidly to 150K for single-crystal X-ray diffraction analysis.","","synthesis as described","4","P 1 21/c 1","-P 2ybc","14","","","","- C52 H46 N2 O10 -","- C52 H46 N2 O10 -","- C208 H184 N8 O40 -","4","1","","McConnell, Anna J.; Serpell, Christopher J.; Beer, Paul D.","Extending the family of heteroditopic calix[4]diquinone receptors for cooperative AND ion-pair recognition","New Journal of Chemistry","2012","36","1","102","","10.1039/c1nj20708c","","","0.71073","MoKα","","0.0757","0.035","","0.0718","0.0393","0.0393","","","","","","1.1083","","","","has coordinates","301851","2025-08-21","20:32:41",""
"7052820","13.379","0.0001","15.0967","0.0002","20.7767","0.0003","90","","103.767","0.0005","90","","4075.89","0.09","150","","150","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C46.5 H50 N3 O12 -","- C46.5 H50 N3 O12 -","- C186 H200 N12 O48 -","4","1","","McConnell, Anna J.; Serpell, Christopher J.; Beer, Paul D.","Extending the family of heteroditopic calix[4]diquinone receptors for cooperative AND ion-pair recognition","New Journal of Chemistry","2012","36","1","102","","10.1039/c1nj20708c","","","0.71073","MoKα","","0.1113","0.0519","","0.0847","0.0595","0.0595","","","","","","1.0808","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7052821","28.803","0.004","28.803","0.004","44.831","0.009","90","","90","","120","","32210","9","180","2","180","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C114 H111 Cl15 N54 O76 Sm6 -","- C113.98 H84 Cl14.97 N54.005 O75.97 Sm6 -","- C683.88 H504 Cl89.82 N324.03 O455.82 Sm36 -","6","0.333333","","Wu, Xiao; Lin, Zhihua; He, Cheng; Duan, Chunying","Catalytic performance of lanthanide molecular solids containing well-modified metal‒organic octahedra","New Journal of Chemistry","2012","36","1","161","","10.1039/c1nj20736a","","","0.71073","MoKα","","0.1788","0.0791","","","0.2111","0.2605","","","","","","0.952","","","","has coordinates,has disorder","180082","2020-10-21","18:00:00",""
"7052822","7.6902","0.0007","14.229","0.0015","14.8521","0.0015","91.645","0.005","90.598","0.005","90.643","0.005","1624.3","0.3","173","2","174","2","","","","","","","","5","P -1","-P 1","2","","","","- C68 H74 N8 O14 Pd -","- C68 H76 N8 O14 Pd -","- C68 H76 N8 O14 Pd -","1","0.5","","Cho, Youngje; Lee, Ji Ha; Jaworski, Justyn; Park, Sunhong; Lee, Shim Sung; Jung, Jong Hwa","The influence of ultrasound on porphyrin-based metallogel formation: efficient control of H- and J-type aggregations","New Journal of Chemistry","2012","36","1","32","","10.1039/c1nj20781d","","","0.71073","MoKα","","0.0444","0.042","","","0.123","0.1255","","","","","","1.111","","","","has coordinates","180082","2020-10-21","18:00:00",""
"7052823","10.5331","0.0012","12.31","0.0011","14.9616","0.0013","98.283","0.007","110.587","0.009","106.472","0.009","1676.1","0.3","150","1","150","1","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C76 H62 Cl8 Cr Fe N8 -","- C76 H62 Cl8 Cr Fe N8 -","- C76 H62 Cl8 Cr Fe N8 -","1","0.5","","Konarev, Dmitri V.; Zorina, Leokadia V.; Khasanov, Salavat S.; Hakimova, El'za U.; Lyubovskaya, Rimma N.","Structure and magnetic properties of ionic compound (Cp*2Cr+)·(FeIPc−)·(C6H4Cl2)4 containing negatively charged iron phthalocyanine","New Journal of Chemistry","2012","36","1","48","","10.1039/c1nj20858f","","","0.71073","MoKα","","0.1396","0.0974","","","0.2153","0.2338","","","","","","1.071","","","","has coordinates,has disorder","180082","2020-10-21","18:00:00",""
"7052824","31.823","0.007","31.823","0.007","21.495","0.005","90","","90","","120","","18852","7","100","2","100","2","","","","","","","","5","R 3 c :H","R 3 -2""c","161","NA","","","- C132 H138 N24 O33 Ru3 -","- C120 H90 N21 O12 Ru3 -","- C720 H540 N126 O72 Ru18 -","6","0.333333","","Wang, Jin-Liang; Li, Xiaopeng; Shreiner, Carol D.; Lu, Xiaocun; Moorefield, Charles N.; Tummalapalli, Sreedhar R.; Medvetz, Douglas A.; Panzner, Matthew J.; Fronczek, Frank R.; Wesdemiotis, Chrys; Newkome, George R.","Shape-persistent, ruthenium(ii)- and iron(ii)-bisterpyridine metallodendrimers: synthesis, traveling-wave ion-mobility mass spectrometry, and photophysical properties","New Journal of Chemistry","2012","36","2","484","","10.1039/c2nj20799k","","","0.71073","MoKα","","0.0797","0.0603","","","0.1271","0.135","","","","","","0.989","","","","has coordinates","180082","2020-10-21","18:00:00",""
"7052825","7.1447","0.0009","7.5795","0.0009","13.441","0.0016","83.394","0.002","78.094","0.002","70.208","0.002","669.34","0.14","296","2","296","2","","","","","","","","5","P -1","-P 1","2","ethyl (2Z)-2-cyano-3-((3-fluoro-4-methoxyphenyl)amino)prop-2- enoate","ethyl (2Z)-2-cyano-3-[(3-fluoro-4-methoxyphenyl)amino]prop-2-enoate","","- C13 H13 F N2 O3 -","- C13 H13 F N2 O3 -","- C26 H26 F2 N4 O6 -","2","1","","Zhang, Zhenfeng; Tong, Hongbo; Wu, Yanbo; Zhang, Guisheng","C⋯π interaction of non-hydrogen bond type","New Journal of Chemistry","2012","36","1","44","","10.1039/c2nj20903a","","","0.71073","MoKα","","0.0509","0.034","","","0.0872","0.0975","","","","","","1.013","","","","has coordinates","301851","2025-08-21","20:32:42",""
"7052826","10.5897","0.0006","10.5897","0.0006","26.8588","0.0016","90","","90","","90","","3012","0.3","150","2","150","2","","","","","","","","5","I 4/m","-I 4","87","","","","- C56 H40 Cl2 Cr5 N24 -","- C56 H40 Cl2 Cr5 N24 -","- C112 H80 Cl4 Cr10 N48 -","2","0.125","","Wang, Wen-Zhen; Ismayilov, Rayyat Huseyn; Lee, Gene-Hsiang; Huang, Yi-Lin; Yeh, Chen-Yu; Fu, Ming-Dung; Chen, Chun-hsien; Peng, Shie-Ming","Fine tuning of pentachromium(ii) metal string complexes through elaborate design of ligand","New Journal of Chemistry","2012","36","3","632","","10.1039/c1nj20512a","","","0.71073","MoKα","","0.0813","0.0708","","","0.1664","0.1737","","","","","","1.031","","","","has coordinates,has disorder","180082","2020-10-21","18:00:00",""
"7052827","10.4539","0.0002","12.7977","0.0003","25.2298","0.0005","90","","101.325","0.0013","90","","3309.66","0.12","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C52 H36 Cl2 Cr5 N28 -","- C52 H36 Cl2 Cr5.001 N28 -","- C104 H72 Cl4 Cr10.002 N56 -","2","0.5","","Wang, Wen-Zhen; Ismayilov, Rayyat Huseyn; Lee, Gene-Hsiang; Huang, Yi-Lin; Yeh, Chen-Yu; Fu, Ming-Dung; Chen, Chun-hsien; Peng, Shie-Ming","Fine tuning of pentachromium(ii) metal string complexes through elaborate design of ligand","New Journal of Chemistry","2012","36","3","632","","10.1039/c1nj20512a","","","0.71073","MoKα","","0.0942","0.067","","","0.1874","0.2045","","","","","","0.914","","","","has coordinates,has disorder","180082","2020-10-21","18:00:00",""
"7052828","14.8488","0.0002","31.4891","0.0004","15.963","0.0002","90","","95.5875","0.0006","90","","7428.44","0.17","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C72 H56 Cl4 Cr5 N26 S2 -","- C72 H56 Cl4 Cr5 N26 S2 -","- C288 H224 Cl16 Cr20 N104 S8 -","4","1","","Wang, Wen-Zhen; Ismayilov, Rayyat Huseyn; Lee, Gene-Hsiang; Huang, Yi-Lin; Yeh, Chen-Yu; Fu, Ming-Dung; Chen, Chun-hsien; Peng, Shie-Ming","Fine tuning of pentachromium(ii) metal string complexes through elaborate design of ligand","New Journal of Chemistry","2012","36","3","632","","10.1039/c1nj20512a","","","0.71073","MoKα","","0.1169","0.0543","","","0.1443","0.1684","","","","","","1.054","","","","has coordinates,has disorder","180082","2020-10-21","18:00:00",""
"7052829","10.756","0.002","5.926","0.0012","18.84","0.004","90","","99.58","0.03","90","","1184.1","0.4","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","N-(2-pyridyl)N-benzylaminoethanol","","- C14 H16 N2 O -","- C14 H16 N2 O -","- C56 H64 N8 O4 -","4","1","","Chmielewski, Marcin K.; Tykarska, Ewa; Markiewicz, Wojciech T.; Rypniewski, Wojciech","Engineering N-(2-pyridyl)aminoethyl alcohols as potential precursors of thermolabile protecting groups","New Journal of Chemistry","2012","36","3","603","","10.1039/c1nj20584f","","","0.8162","synchrotron","","0.0454","0.0449","","","0.1207","0.1213","","","","","","1.092","","","","has coordinates","301851","2025-08-21","20:32:42",""
"7052830","8.841","0.0018","9.053","0.0018","8.63","0.0017","90","","90","","90","","690.7","0.2","100","2","100","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","N-(2-pyridyl)amino-1-ethanol","","- C7 H10 N2 O -","- C7 H10 N2 O -","- C28 H40 N8 O4 -","4","1","","Chmielewski, Marcin K.; Tykarska, Ewa; Markiewicz, Wojciech T.; Rypniewski, Wojciech","Engineering N-(2-pyridyl)aminoethyl alcohols as potential precursors of thermolabile protecting groups","New Journal of Chemistry","2012","36","3","603","","10.1039/c1nj20584f","","","0.71073","synchrotron","","0.0443","0.0435","","","0.1213","0.1231","","","","","","1.078","","","","has coordinates","301851","2025-08-21","20:32:42",""
"7052831","6.048","0.0012","7.315","0.0015","24.334","0.005","90","","90","","90","","1076.6","0.4","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","N-(2-pyridyl)amino-1-phenyloethanol","","- C13 H14 N2 O -","- C13 H14 N2 O -","- C52 H56 N8 O4 -","4","1","","Chmielewski, Marcin K.; Tykarska, Ewa; Markiewicz, Wojciech T.; Rypniewski, Wojciech","Engineering N-(2-pyridyl)aminoethyl alcohols as potential precursors of thermolabile protecting groups","New Journal of Chemistry","2012","36","3","603","","10.1039/c1nj20584f","","","0.8162","synchrotron","","0.0449","0.0442","","","0.1229","0.1238","","","","","","1.059","","","","has coordinates","301851","2025-08-21","20:32:42",""
"7052832","5.605","0.0011","20.972","0.004","9.5","0.0019","90","","108.11","0.03","90","","1061.4","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","N-(2-pyrimidyl)amino-1-phenyloethanol","N-(2-pyrimidyl)amino-1-phenyloethanol","","- C12 H13 N3 O -","- C12 H13 N3 O -","- C48 H52 N12 O4 -","4","1","","Chmielewski, Marcin K.; Tykarska, Ewa; Markiewicz, Wojciech T.; Rypniewski, Wojciech","Engineering N-(2-pyridyl)aminoethyl alcohols as potential precursors of thermolabile protecting groups","New Journal of Chemistry","2012","36","3","603","","10.1039/c1nj20584f","","","0.8162","synchrotron","","0.048","0.0471","","","0.1321","0.1357","","","","","","1.1","","","","has coordinates,has disorder","301851","2025-08-21","20:32:42",""
"7052833","32.334","0.007","5.791","0.0012","16.392","0.003","90","","104.42","0.03","90","","2972.6","1.1","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","bis{N-(2-pyridyl)aminoethyl}carbonate","","- C15 H18 N4 O3 -","- C15 H18 N4 O3 -","- C120 H144 N32 O24 -","8","1","","Chmielewski, Marcin K.; Tykarska, Ewa; Markiewicz, Wojciech T.; Rypniewski, Wojciech","Engineering N-(2-pyridyl)aminoethyl alcohols as potential precursors of thermolabile protecting groups","New Journal of Chemistry","2012","36","3","603","","10.1039/c1nj20584f","","","0.808","synchrotron","","0.0462","0.0451","","","0.1283","0.1298","","","","","","1.086","","","","has coordinates","301851","2025-08-21","20:32:42",""
"7052834","10.674","0.006","8.769","0.004","11.811","0.004","90","","116.21","0.02","90","","991.8","0.8","105","2","105","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H26 N2 O4 -","- C21 H26 N2 O4 -","- C42 H52 N4 O8 -","2","1","","Alba, Andrea-Nekane R.; Valero, Guillem; Calbet, Teresa; Font-Bardía, Mercé; Moyano, Albert; Rios, Ramon","Enantioselective addition of oxazolones to maleimides. An easy entry to quaternary aminoacids","New Journal of Chemistry","2012","36","3","613","","10.1039/c1nj20659a","","","0.71073","MoKα","","0.0364","0.0363","","","0.0968","0.0969","","","","","","1.27","","","","has coordinates","301851","2025-08-21","20:32:42",""
"7052835","43.982","0.011","8.85","0.002","9.627","0.002","90","","90","","90","","3747.2","1.5","173","2","173","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C15 H8.5 N8.5 O10.5 -","- C15 H8.5 N8.5 O10.5 -","- C120 H68 N68 O84 -","8","1","","Smiglak, Marcin; Hines, C. Corey; Reichert, W. Matthew; Vincek, Adam S.; Katritzky, Alan R.; Thrasher, Joseph S.; Sun, Luyi; McCrary, Parker D.; Beasley, Preston A.; Kelley, Steven P.; Rogers, Robin D.","Synthesis, limitations, and thermal properties of energetically-substituted, protonated imidazolium picrate and nitrate salts and further comparison with their methylated analogs","New Journal of Chemistry","2012","36","3","702","","10.1039/c1nj20677j","","","0.71073","MoKα","","0.0928","0.0678","","","0.1268","0.1367","","","","","","1.065","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7052836","6.0755","0.0019","15.089","0.005","14.771","0.004","90","","90.949","0.005","90","","1353.9","0.7","173","2","173","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C11 H11 N5 O7 -","- C11 H11 N5 O7 -","- C44 H44 N20 O28 -","4","1","","Smiglak, Marcin; Hines, C. Corey; Reichert, W. Matthew; Vincek, Adam S.; Katritzky, Alan R.; Thrasher, Joseph S.; Sun, Luyi; McCrary, Parker D.; Beasley, Preston A.; Kelley, Steven P.; Rogers, Robin D.","Synthesis, limitations, and thermal properties of energetically-substituted, protonated imidazolium picrate and nitrate salts and further comparison with their methylated analogs","New Journal of Chemistry","2012","36","3","702","","10.1039/c1nj20677j","","","0.71073","MoKα","","0.023","0.0228","","","0.059","0.0593","","","","","","1.104","","","","has coordinates","180082","2020-10-21","18:00:00",""
"7052837","7.863","0.0014","13.001","0.002","7.9711","0.0014","90","","111.871","0.003","90","","756.2","0.2","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C5 H9 N3 O3 -","- C5 H9 N3 O3 -","- C20 H36 N12 O12 -","4","1","","Smiglak, Marcin; Hines, C. Corey; Reichert, W. Matthew; Vincek, Adam S.; Katritzky, Alan R.; Thrasher, Joseph S.; Sun, Luyi; McCrary, Parker D.; Beasley, Preston A.; Kelley, Steven P.; Rogers, Robin D.","Synthesis, limitations, and thermal properties of energetically-substituted, protonated imidazolium picrate and nitrate salts and further comparison with their methylated analogs","New Journal of Chemistry","2012","36","3","702","","10.1039/c1nj20677j","","","0.71073","MoKα","","0.0412","0.0343","","","0.0877","0.0918","","","","","","1.068","","","","has coordinates","301851","2025-08-21","20:32:42",""
"7052838","7.2105","0.0015","9.615","0.002","10.265","0.002","78.308","0.003","82.099","0.004","85.773","0.004","689.5","0.2","173","2","173","2","","","","","","","","4","P -1","-P 1","2","1,3-dimethylimidazolium picrate","","","- C11 H11 N5 O7 -","- C11 H11 N5 O7 -","- C22 H22 N10 O14 -","2","1","","Smiglak, Marcin; Hines, C. Corey; Reichert, W. Matthew; Vincek, Adam S.; Katritzky, Alan R.; Thrasher, Joseph S.; Sun, Luyi; McCrary, Parker D.; Beasley, Preston A.; Kelley, Steven P.; Rogers, Robin D.","Synthesis, limitations, and thermal properties of energetically-substituted, protonated imidazolium picrate and nitrate salts and further comparison with their methylated analogs","New Journal of Chemistry","2012","36","3","702","","10.1039/c1nj20677j","","","0.71073","MoKα","","0.0592","0.0472","","","0.1224","0.1305","","","","","","1.044","","","","has coordinates","180082","2020-10-21","18:00:00",""
"7052839","6.2866","0.001","11.646","0.002","10.3067","0.0017","90","","93.367","0.003","90","","753.3","0.2","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C10 H7 N7 O11 -","- C10 H7 N7 O11 -","- C20 H14 N14 O22 -","2","1","","Smiglak, Marcin; Hines, C. Corey; Reichert, W. Matthew; Vincek, Adam S.; Katritzky, Alan R.; Thrasher, Joseph S.; Sun, Luyi; McCrary, Parker D.; Beasley, Preston A.; Kelley, Steven P.; Rogers, Robin D.","Synthesis, limitations, and thermal properties of energetically-substituted, protonated imidazolium picrate and nitrate salts and further comparison with their methylated analogs","New Journal of Chemistry","2012","36","3","702","","10.1039/c1nj20677j","","","0.71073","MoKα","","0.0255","0.0236","","","0.0558","0.0581","","","","","","0.506","","","","has coordinates","301851","2025-08-21","20:32:42",""
"7052840","8.957","0.007","9.917","0.007","7.143","0.006","90","","96.046","0.012","90","","631","0.9","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","1-methyl-3-H-imidazolium nitrate","","","- C4 H7 N3 O3 -","- C4 H7 N3 O3 -","- C16 H28 N12 O12 -","4","1","","Smiglak, Marcin; Hines, C. Corey; Reichert, W. Matthew; Vincek, Adam S.; Katritzky, Alan R.; Thrasher, Joseph S.; Sun, Luyi; McCrary, Parker D.; Beasley, Preston A.; Kelley, Steven P.; Rogers, Robin D.","Synthesis, limitations, and thermal properties of energetically-substituted, protonated imidazolium picrate and nitrate salts and further comparison with their methylated analogs","New Journal of Chemistry","2012","36","3","702","","10.1039/c1nj20677j","","","0.71073","MoKα","","0.0415","0.0347","","","0.088","0.0929","","","","","","0.985","","","","has coordinates","301851","2025-08-21","20:32:42",""
"7052841","8.018","0.002","5.8847","0.0015","27.215","0.007","90","","94.798","0.005","90","","1279.6","0.6","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","1-methyl-3-H-imidazolium picrate","","","- C10 H9 N5 O7 -","- C10 H9 N5 O7 -","- C40 H36 N20 O28 -","4","1","","Smiglak, Marcin; Hines, C. Corey; Reichert, W. Matthew; Vincek, Adam S.; Katritzky, Alan R.; Thrasher, Joseph S.; Sun, Luyi; McCrary, Parker D.; Beasley, Preston A.; Kelley, Steven P.; Rogers, Robin D.","Synthesis, limitations, and thermal properties of energetically-substituted, protonated imidazolium picrate and nitrate salts and further comparison with their methylated analogs","New Journal of Chemistry","2012","36","3","702","","10.1039/c1nj20677j","","","0.71073","MoKα","","0.0909","0.058","","","0.1107","0.1216","","","","","","1.072","","","","has coordinates","301851","2025-08-21","20:32:42",""
"7052842","7.25","0.002","9.107","0.003","11.946","0.004","83.27","0.005","74.608","0.005","79.684","0.005","746.1","0.4","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H13 N5 O7 -","- C12 H13 N5 O7 -","- C24 H26 N10 O14 -","2","1","","Smiglak, Marcin; Hines, C. Corey; Reichert, W. Matthew; Vincek, Adam S.; Katritzky, Alan R.; Thrasher, Joseph S.; Sun, Luyi; McCrary, Parker D.; Beasley, Preston A.; Kelley, Steven P.; Rogers, Robin D.","Synthesis, limitations, and thermal properties of energetically-substituted, protonated imidazolium picrate and nitrate salts and further comparison with their methylated analogs","New Journal of Chemistry","2012","36","3","702","","10.1039/c1nj20677j","","","0.71073","MoKα","","0.04","0.0352","","","0.0887","0.0913","","","","","","1.054","","","","has coordinates,has disorder","180082","2020-10-21","18:00:00",""
"7052843","11.0164","0.0017","11.8961","0.0018","18.841","0.003","81.814","0.003","84.93","0.003","69.902","0.003","2293.1","0.6","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","","","- C127.5 H84 Cl N4 O0.8 -","- C127.5 H84 Cl N4 O0.8 -","- C127.5 H84 Cl N4 O0.8 -","1","0.5","","Zhou, Xie; Li, Haiyin; Chi, Zhenguo; Zhang, Xiqi; Zhang, Jianyong; Xu, Bingjia; Zhang, Yi; Liu, Siwei; Xu, Jiarui","Piezofluorochromism and morphology of a new aggregation-induced emission compound derived from tetraphenylethylene and carbazole","New Journal of Chemistry","2012","36","3","685","","10.1039/c1nj20782b","","","0.71073","MoKα","","0.1071","0.0581","","","0.1601","0.1972","","","","","","1.011","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7052844","8.2045","0.0016","11.888","0.002","17.949","0.004","90","","99.79","0.03","90","","1725.2","0.6","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Marc Fourmigue","","","- C13 H20 O5 S4 -","- C13 H20 O5 S4 -","- C52 H80 O20 S16 -","4","1","","Famengo, Alessia; Pinero, Dalice; Jeannin, Olivier; Guizouarn, Thierry; Piekara-Sady, Lidia; Fourmigué, Marc","Dithiolene complexes as metallo-ligands: a crown-ether approach","New Journal of Chemistry","2012","36","3","638","","10.1039/c1nj20870e","","","0.71073","MoKα","","0.0691","0.0357","","","0.075","0.0916","","","","","","1.088","","","","has coordinates","301851","2025-08-21","20:32:42",""
"7052845","23.6588","0.0014","10.192","0.0006","17.5265","0.0012","90","","127.742","0.002","90","","3342","0.4","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H40 Na Ni O8 S8 -","- C24 H40 Na Ni O8 S8 -","- C96 H160 Na4 Ni4 O32 S32 -","4","0.5","","Famengo, Alessia; Pinero, Dalice; Jeannin, Olivier; Guizouarn, Thierry; Piekara-Sady, Lidia; Fourmigué, Marc","Dithiolene complexes as metallo-ligands: a crown-ether approach","New Journal of Chemistry","2012","36","3","638","","10.1039/c1nj20870e","","x-ray","0.71073","MoKα","","0.0829","0.0417","","","0.1053","0.1568","","","","","","1.044","","","","has coordinates","180082","2020-10-21","18:00:00",""
"7052846","13.4074","0.0004","14.0031","0.0004","19.1875","0.0006","90","","104.593","0.001","90","","3486.15","0.18","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H40 Ni1.5 O8.5 S8 -","- C24 H40 Ni1.5 O8.5 S8 -","- C96 H160 Ni6 O34 S32 -","4","0.5","","Famengo, Alessia; Pinero, Dalice; Jeannin, Olivier; Guizouarn, Thierry; Piekara-Sady, Lidia; Fourmigué, Marc","Dithiolene complexes as metallo-ligands: a crown-ether approach","New Journal of Chemistry","2012","36","3","638","","10.1039/c1nj20870e","","x-ray","0.71073","MoKα","","0.0637","0.0528","","","0.1552","0.1811","","","","","","1.061","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7052847","9.1918","0.0004","9.5486","0.0004","10.6697","0.0004","67.459","0.001","74.151","0.002","84.463","0.002","832.01","0.06","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H40 Ni O8 S8 -","- C24 H40 Ni O8 S8 -","- C24 H40 Ni O8 S8 -","1","0.5","","Famengo, Alessia; Pinero, Dalice; Jeannin, Olivier; Guizouarn, Thierry; Piekara-Sady, Lidia; Fourmigué, Marc","Dithiolene complexes as metallo-ligands: a crown-ether approach","New Journal of Chemistry","2012","36","3","638","","10.1039/c1nj20870e","","","0.71073","MoKα","","0.0263","0.0233","","","0.0685","0.0809","","","","","","1.206","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7052848","7.4285","0.0004","5.748","0.0002","7.6305","0.0004","90","","118.462","0.006","90","","286.43","0.03","110","2","110","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C7 H6 N2 -","- C7 H6 N2 -","- C14 H12 N4 -","2","1","","González, J. J. L.; Ureña, F. P.; Moreno, J. R. A.; Mata, I.; Molins, E.; Claramunt, R. M.; López, C.; Alkorta, I.; Elguero, J.","The chiral structure of 1H-indazoles in the solid state: a crystallographic, vibrational circular dichroism and computational study","New Journal of Chemistry","2012","36","3","749","","10.1039/c2nj20820b","","","1.5418","CuKα","","0.0477","0.0475","","","0.1297","0.1298","","","","","","1.134","","","","has coordinates","301851","2025-08-21","20:32:42",""
"7052849","4.5663","0.0002","9.6254","0.0005","30.3857","0.0014","90","","91.668","0.005","90","","1334.96","0.11","105","","105","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H15 N3 O3 -","- C15 H15 N3 O3 -","- C60 H60 N12 O12 -","4","1","","Seifert, Susan; Seifert, Andreas; Brunklaus, Gunther; Hofmann, Katja; Rüffer, Tobias; Lang, Heinrich; Spange, Stefan","Probing the surface polarity of inorganic oxides using merocyanine-type dyes derived from barbituric acid","New Journal of Chemistry","2012","36","3","674","","10.1039/c2nj20835k","","","1.54184","CuKα","","0.0694","0.0565","","","0.146","0.153","","","","","","0.958","","","","has coordinates","301851","2025-08-21","20:32:42",""
"7052850","14.8274","0.0003","15.2591","0.0003","14.0991","0.0003","90","","106.703","0.001","90","","3055.37","0.11","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H44 N2 O Si2 -","- C28 H44 N2 O Si2 -","- C112 H176 N8 O4 Si8 -","4","1","","Coombs, Benjamin A.; Lindner, Benjamin D.; Edkins, Robert M.; Rominger, Frank; Beeby, Andrew; Bunz, Uwe H. F.","Photophysical property trends for a homologous series of bis-ethynyl-substituted benzochalcogendiazoles","New Journal of Chemistry","2012","36","3","550","","10.1039/c2nj20847d","","","0.71073","MoKα","","0.0906","0.0628","","","0.1687","0.1935","","","","","","1.041","","","","has coordinates,has disorder","180082","2020-10-21","18:00:00",""
"7052851","14.336","0.0014","14.9701","0.0015","14.9722","0.0016","90","","97.892","0.002","90","","3182.8","0.6","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H44 N2 S Si2 -","- C28 H44 N2 S Si2 -","- C112 H176 N8 S4 Si8 -","4","1","","Coombs, Benjamin A.; Lindner, Benjamin D.; Edkins, Robert M.; Rominger, Frank; Beeby, Andrew; Bunz, Uwe H. F.","Photophysical property trends for a homologous series of bis-ethynyl-substituted benzochalcogendiazoles","New Journal of Chemistry","2012","36","3","550","","10.1039/c2nj20847d","","","0.71073","MoKα","","0.1112","0.0728","","","0.2099","0.2437","","","","","","1.035","","","","has coordinates,has disorder","180082","2020-10-21","18:00:00",""
"7052852","14.751","0.003","14.938","0.003","15.035","0.003","90","","105.604","0.005","90","","3190.9","1.1","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H44 N2 Se Si2 -","- C28 H44 N2 Se Si2 -","- C112 H176 N8 Se4 Si8 -","4","1","","Coombs, Benjamin A.; Lindner, Benjamin D.; Edkins, Robert M.; Rominger, Frank; Beeby, Andrew; Bunz, Uwe H. F.","Photophysical property trends for a homologous series of bis-ethynyl-substituted benzochalcogendiazoles","New Journal of Chemistry","2012","36","3","550","","10.1039/c2nj20847d","","","0.71073","MoKα","","0.0711","0.0485","","","0.1217","0.1348","","","","","","1.05","","","","has coordinates","180082","2020-10-21","18:00:00",""
"7052853","27.455","0.007","36.891","0.009","9.656","0.002","90","","90","","90","","9780","4","293","2","293","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C22 H26 N2 O13 -","- C22 H16 N2 O8 -","- C352 H256 N32 O128 -","16","1","","Hill, Yennifer; Linares, Maholy; Briceño, Alexander","Combining topochemical [2+2] photoreactions and hydrothermal isomerisation for the regioselective and quantitative preparation ofrtct-pyridylcyclobutanes","New Journal of Chemistry","2012","36","3","554","","10.1039/c2nj20855e","","","0.7107","MoKα","","0.0664","0.0578","","","0.1561","0.1635","","","","","","1.05","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7052854","11.207","0.0018","10.5278","0.0015","17.198","0.003","90","","96.718","0.004","90","","2015.2","0.6","293","2","293","2","","","","","","","","4","P 1 2/n 1","-P 2yac","13","","","","- C44 H34.56 N4 O17.28 -","- C44 H34.556 N4 O17.278 -","- C88 H69.112 N8 O34.556 -","2","0.5","","Hill, Yennifer; Linares, Maholy; Briceño, Alexander","Combining topochemical [2+2] photoreactions and hydrothermal isomerisation for the regioselective and quantitative preparation ofrtct-pyridylcyclobutanes","New Journal of Chemistry","2012","36","3","554","","10.1039/c2nj20855e","","","0.7107","MoKα","","0.0789","0.0581","","","0.1503","0.1665","","","","","","1.043","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7052855","10.254","0.003","10.381","0.003","13.085","0.005","86.63","0.03","87.56","0.03","75.388","0.017","1344.9","0.8","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C62 H47.24 Cl4 N4 O8.62 -","- C62 H46 Cl4 N4 O8.62 -","- C62 H46 Cl4 N4 O8.62 -","1","0.5","","Hill, Yennifer; Linares, Maholy; Briceño, Alexander","Combining topochemical [2+2] photoreactions and hydrothermal isomerisation for the regioselective and quantitative preparation ofrtct-pyridylcyclobutanes","New Journal of Chemistry","2012","36","3","554","","10.1039/c2nj20855e","","","0.7107","MoKα","","0.0649","0.0524","","","0.1413","0.1538","","","","","","1.045","","","","has coordinates","180082","2020-10-21","18:00:00",""
"7052856","9.6451","0.0011","9.7718","0.0011","13.576","0.0013","99.752","0.008","98.148","0.008","115.368","0.008","1106","0.2","230","","230","","","","","","","","","5","P -1","-P 1","2","1,5-bis(benzimidazolonium)pentane bis(dihydrogenophosphate)","1,5-bis(benzimidazolonium)pentane bis(dihydrogenophosphate)","","- C19 H26 N4 O8 P2 -","- C19 H26 N4 O8 P2 -","- C38 H52 N8 O16 P4 -","2","1","","Clifford, Sarah E.; Runowski, Marcin; Parthasarathy, Nalini; Besnard, Céline; Melich, Xavier; Williams, Alan F.","Unusual solidification and phosphate binding to benzimidazole cations in the presence of water","New Journal of Chemistry","2012","36","3","823","","10.1039/c2nj20897k","","","0.71073","MoKα","","0.055","0.0384","","0.0613","0.0573","0.0613","","","","","","1.0613","","","","has coordinates","301851","2025-08-21","20:32:42",""
"7052857","6.9865","0.0008","17.368","0.001","15.847","0.001","90","","94.68","0.03","90","","1916.5","0.3","220","","200","","","","","","","","","5","P 1 n 1","P -2yac","7","1,2-bis(benzimidazolonium)ethane sulphate trihydrate","1,2-bis(benzimidazolonium)ethane sulphate trihydrate","","- C34 H48 N8 O14 S2 -","- C34 H48 N8 O14 S2 -","- C68 H96 N16 O28 S4 -","2","1","","Clifford, Sarah E.; Runowski, Marcin; Parthasarathy, Nalini; Besnard, Céline; Melich, Xavier; Williams, Alan F.","Unusual solidification and phosphate binding to benzimidazole cations in the presence of water","New Journal of Chemistry","2012","36","3","823","","10.1039/c2nj20897k","","","0.71073","MoKα","","0.0388","0.0356","","0.0536","0.053","0.0536","","","","","","1.702","","","","has coordinates,has disorder","301851","2025-08-21","20:32:42",""
"7052858","9.8599","0.0005","12.9049","0.0008","18.8173","0.0006","95.255","0.004","103.115","0.004","102.98","0.005","2246.5","0.2","200","","200","","","","","","","","","5","P -1","-P 1","2","Bis(1,5-bis(benzimidazolonium)pentane) bis(dihydrogenophosphate)monohydrogenophosphate tetrahydrate","Bis(1,5-bis(benzimidazolonium)pentane) bis(dihydrogenophosphate)monohydrogenophosphate tetrahydrate","","- C38 H57 N8 O16 P3 -","- C38 H57 N8 O16 P3 -","- C76 H114 N16 O32 P6 -","2","1","","Clifford, Sarah E.; Runowski, Marcin; Parthasarathy, Nalini; Besnard, Céline; Melich, Xavier; Williams, Alan F.","Unusual solidification and phosphate binding to benzimidazole cations in the presence of water","New Journal of Chemistry","2012","36","3","823","","10.1039/c2nj20897k","","","1.5418","CuKα","","0.0415","0.0385","","","0.1075","0.1114","","","","","","1.021","","","","has coordinates","301851","2025-08-21","20:32:42",""
"7052859","7.5072","0.0014","9.1676","0.0017","10.705","0.002","79.845","0.004","84.056","0.004","72.958","0.003","692.3","0.2","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H13 Au Cl N3 -","- C14 H13 Au Cl N3 -","- C28 H26 Au2 Cl2 N6 -","2","1","","Adhikary, Sirsendu Das; Bose, Dipayan; Mitra, Partha; Saha, Krishna Das; Bertolasi, Valerio; Dinda, Joydev","Au(i)- and Pt(ii)-N-heterocyclic carbene complexes with picoline functionalized benzimidazolin-2-ylidene ligands; synthesis, structures, electrochemistry and cytotoxicity studies","New Journal of Chemistry","2012","36","3","759","","10.1039/c2nj20928d","","","0.71073","MoKα","","0.0371","0.0356","","","0.0966","0.0976","","","","","","1.139","","","","has coordinates","180082","2020-10-21","18:00:00",""
"7052860","15.6488","0.0011","13.2247","0.0011","7.1603","0.0005","90","","99.624","0.002","90","","1460.97","0.19","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C14 H13 Cl2 N3 Pt -","- C14 H13 Cl2 N3 Pt -","- C56 H52 Cl8 N12 Pt4 -","4","1","","Adhikary, Sirsendu Das; Bose, Dipayan; Mitra, Partha; Saha, Krishna Das; Bertolasi, Valerio; Dinda, Joydev","Au(i)- and Pt(ii)-N-heterocyclic carbene complexes with picoline functionalized benzimidazolin-2-ylidene ligands; synthesis, structures, electrochemistry and cytotoxicity studies","New Journal of Chemistry","2012","36","3","759","","10.1039/c2nj20928d","","","0.71073","MoKα","","0.0371","0.028","","","0.0502","0.054","","","","","","0.884","","","","has coordinates","180082","2020-10-21","18:00:00",""
"7052861","14.606","0.001","14.212","0.001","25.06","0.002","90","","106.091","0.007","90","","4998.2","0.7","110","","110","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C28 H16 B Br2 F2 N3 S2 -","- C28 H16 B Br2 F2 N3 S2 -","- C224 H128 B8 Br16 F16 N24 S16 -","8","2","","Bellier, Quentin; Dalier, Fabrice; Jeanneau, Erwann; Maury, Olivier; Andraud, Chantal","Thiophene-substituted aza-bodipy as a strategic synthon for the design of near-infrared dyes","New Journal of Chemistry","2012","36","3","768","","10.1039/c2nj20943h","","","1.5418","CuKα","","0.0418","0.0402","","0.1129","0.1118","0.1129","","","","","","1.0071","","","","has coordinates","180082","2020-10-21","18:00:00",""
"7052862","15.5428","0.0004","16.207","0.0005","28.1062","0.0009","78.135","0.002","88.922","0.002","62.066","0.002","6096.8","0.3","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C64 H92 O14 -","- C64 H92 O14 -","- C256 H368 O56 -","4","2","","Helttunen, Kaisa; Salorinne, Kirsi; Barboza, Tahnie; Barbosa, Hélène Campos; Suhonen, Aku; Nissinen, Maija","Cation binding resorcinarene bis-crowns: the effect of lower rim alkyl chain length on crystal packing and solid lipid nanoparticles","New Journal of Chemistry","2012","36","3","789","","10.1039/c2nj20981k","","","1.54178","CuKα","","0.1516","0.0792","","","0.1761","0.2167","","","","","","1.063","","","","has coordinates,has disorder","301851","2025-08-21","20:32:42",""
"7052863","14.0441","0.0005","16.3664","0.0006","16.578","0.0006","99.948","0.002","104.812","0.002","112.067","0.002","3256.7","0.2","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C68 H100 O14 -","- C68 H100 O14 -","- C136 H200 O28 -","2","1","","Helttunen, Kaisa; Salorinne, Kirsi; Barboza, Tahnie; Barbosa, Hélène Campos; Suhonen, Aku; Nissinen, Maija","Cation binding resorcinarene bis-crowns: the effect of lower rim alkyl chain length on crystal packing and solid lipid nanoparticles","New Journal of Chemistry","2012","36","3","789","","10.1039/c2nj20981k","","","1.54178","CuKα","","0.1294","0.0852","","","0.2238","0.2614","","","","","","1.025","","","","has coordinates,has disorder","301851","2025-08-21","20:32:42",""
"7052864","36.7201","0.0007","19.6013","0.0005","19.4874","0.0006","90","","116.801","0.001","90","","12519.6","0.6","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C56 H76 F12 K2 O14 P2 -","- C56 H76 F12 K2 O14 P2 -","- C448 H608 F96 K16 O112 P16 -","8","1","","Helttunen, Kaisa; Salorinne, Kirsi; Barboza, Tahnie; Barbosa, Hélène Campos; Suhonen, Aku; Nissinen, Maija","Cation binding resorcinarene bis-crowns: the effect of lower rim alkyl chain length on crystal packing and solid lipid nanoparticles","New Journal of Chemistry","2012","36","3","789","","10.1039/c2nj20981k","","","1.54178","CuKα","","0.1319","0.0788","","","0.2001","0.2399","","","","","","1.029","","","","has coordinates,has disorder","180082","2020-10-21","18:00:00",""
"7052865","12.5169","0.0003","17.8145","0.0005","18.0005","0.0005","70.468","0.0019","79.987","0.0016","82.768","0.0014","3715.26","0.18","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C64 H98 Cs2 F12 O17 P2 -","- C64 H96 Cs2 F12 O17 P2 -","- C128 H192 Cs4 F24 O34 P4 -","2","1","","Helttunen, Kaisa; Salorinne, Kirsi; Barboza, Tahnie; Barbosa, Hélène Campos; Suhonen, Aku; Nissinen, Maija","Cation binding resorcinarene bis-crowns: the effect of lower rim alkyl chain length on crystal packing and solid lipid nanoparticles","New Journal of Chemistry","2012","36","3","789","","10.1039/c2nj20981k","","","1.54178","CuKα","","0.0482","0.0449","","","0.1125","0.1152","","","","","","1.044","","","","has coordinates,has disorder","180082","2020-10-21","18:00:00",""
"7052866","10.1107","0.0005","17.0139","0.001","22.9177","0.0011","109.33","0.003","95.789","0.003","89.952","0.003","3698.9","0.3","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C68 H100 F12 K2 O14 P2 -","- C68 H100 F12 K2 O14 P2 -","- C136 H200 F24 K4 O28 P4 -","2","1","","Helttunen, Kaisa; Salorinne, Kirsi; Barboza, Tahnie; Barbosa, Hélène Campos; Suhonen, Aku; Nissinen, Maija","Cation binding resorcinarene bis-crowns: the effect of lower rim alkyl chain length on crystal packing and solid lipid nanoparticles","New Journal of Chemistry","2012","36","3","789","","10.1039/c2nj20981k","","","1.54178","CuKα","","0.1565","0.0969","","","0.2355","0.2834","","","","","","1.074","","","","has coordinates,has disorder","301851","2025-08-21","20:32:42",""
"7052867","10.4675","0.0004","16.8329","0.0007","27.588","0.001","96.549","0.002","97.404","0.002","93.961","0.002","4771.6","0.3","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C88 H140 Cs2 F12 O14 P2 -","- C88 H140 Cs2 F12 O14 P2 -","- C176 H280 Cs4 F24 O28 P4 -","2","1","","Helttunen, Kaisa; Salorinne, Kirsi; Barboza, Tahnie; Barbosa, Hélène Campos; Suhonen, Aku; Nissinen, Maija","Cation binding resorcinarene bis-crowns: the effect of lower rim alkyl chain length on crystal packing and solid lipid nanoparticles","New Journal of Chemistry","2012","36","3","789","","10.1039/c2nj20981k","","","1.54178","CuKα","","0.1581","0.0824","","","0.1649","0.2038","","","","","","1.056","","","","has coordinates,has disorder","180082","2020-10-21","18:00:00",""
"7052868","9.1783","0.0017","11.032","0.002","14.83","0.003","108.315","0.012","90.603","0.01","100.772","0.009","1396.6","0.5","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C40 H32 N4 -","- C40 H32 N4 -","- C80 H64 N8 -","2","1","","Sarkar, Parantap; Jeon, Ie-Rang; Durola, Fabien; Bock, Harald","Tetraazaarenes by the ceramidonine approach","New Journal of Chemistry","2012","36","3","570","","10.1039/c2nj21033a","","","0.71073","MoKα","","0.1629","0.0721","","","0.1831","0.2308","","","","","","0.984","","","","has coordinates","301851","2025-08-21","20:32:42",""
"7052869","18.669","0.005","18.669","0.005","16.853","0.005","90","0.005","90","0.005","120","0.005","5087","2","100","2","100","2","","","","","","","","3","R -3 :H","-R 3","148","","","","- C13 H16 N2 -","- C13 H16 N2 -","- C234 H288 N36 -","18","1","","Sarkar, Parantap; Jeon, Ie-Rang; Durola, Fabien; Bock, Harald","Tetraazaarenes by the ceramidonine approach","New Journal of Chemistry","2012","36","3","570","","10.1039/c2nj21033a","","","0.71073","MoKα","","0.0522","0.043","","","0.1245","0.1388","","","","","","1.049","","","","has coordinates","301851","2025-08-21","20:32:42",""
"7052870","11.524","0.005","9.41","0.005","9.133","0.005","90","","90","","90","","990.4","0.9","150","2","150","2","","","","","","","","4","C m c m","-C 2c 2","63","cobaltocenium triiodide","","","- C10 H10 Co I -","- C10 H10 Co I -","- C40 H40 Co4 I4 -","4","0.25","","Diana, Eliano; Chierotti, Michele R.; Marchese, Edoardo M. C.; Croce, Gianluca; Milanesio, Marco; Stanghellini, Pier Luigi","Blue and red shift hydrogen bonds in crystalline cobaltocinium complexes","New Journal of Chemistry","2012","36","4","1099","","10.1039/c2nj20760e","","","0.71073","MoKα","","0.0364","0.0356","","","0.1089","0.1095","","","","","","1.32","","","","has coordinates","180082","2020-10-21","18:00:00",""
"7052871","9.2135","0.0014","9.2135","0.0014","12.344","0.0011","90","","90","","120","","907.5","0.2","150","2","150","2","","","","","","","","5","P 32 2 1","P 32 2""","154","cobaltocenium hexafluoridophosphate","","","- C10 H10 Co F6 Sb -","- C10 H10 Co F6 Sb -","- C30 H30 Co3 F18 Sb3 -","3","0.5","","Diana, Eliano; Chierotti, Michele R.; Marchese, Edoardo M. C.; Croce, Gianluca; Milanesio, Marco; Stanghellini, Pier Luigi","Blue and red shift hydrogen bonds in crystalline cobaltocinium complexes","New Journal of Chemistry","2012","36","4","1099","","10.1039/c2nj20760e","","","0.71073","MoKα","","0.0303","0.0286","","","0.0726","0.0741","","","","","","0.963","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7052872","9.7276","0.0018","10.3244","0.0019","16.045","0.003","106.364","0.003","100.64","0.003","99.983","0.003","1475.5","0.5","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C38 H58 Cu2 F18 N4 Ni4 O22 -","- C38 H58 Cu2 F18 N4 Ni4 O22 -","- C38 H58 Cu2 F18 N4 Ni4 O22 -","1","0.5","","Sultan, Muhammad; Tahir, Asif Ali; Mazhar, Muhammad; Zeller, Matthias; Wijayantha, K. G. Upul","Hexanuclear copper‒nickel and copper‒cobalt complexes for thin film deposition of ceramic oxide composites","New Journal of Chemistry","2012","36","4","911","","10.1039/c2nj20789c","","","0.71073","MoKα","","0.0445","0.0363","","","0.0985","0.1087","","","","","","1.087","","","","has coordinates,has disorder","180082","2020-10-21","18:00:00",""
"7052873","9.7417","0.0011","10.3399","0.0012","16.1733","0.0018","106.594","0.002","100.096","0.002","99.876","0.002","1494.1","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C38 H58 Co4 Cu2 F18 N4 O22 -","- C38 H58 Co4 Cu2 F18 N4 O22 -","- C38 H58 Co4 Cu2 F18 N4 O22 -","1","0.5","","Sultan, Muhammad; Tahir, Asif Ali; Mazhar, Muhammad; Zeller, Matthias; Wijayantha, K. G. Upul","Hexanuclear copper–nickel and copper–cobalt complexes for thin film deposition of ceramic oxide composites","New Journal of Chemistry","2012","36","4","911","","10.1039/c2nj20789c","","","0.71073","MoKα","","0.0464","0.0391","","","0.1033","0.1078","","","","","","1.166","","","","has coordinates,has disorder","301851","2025-08-21","20:32:42",""
"7052874","9.6376","0.0004","13.6428","0.0006","29.0057","0.0009","101.577","0.002","91.754","0.002","104.734","0.002","3599.9","0.2","133","2","133","2","","","","","","","","4","P -1","-P 1","2","","","","- C45 H44 N4 O3 -","- C45 H44 N4 O3 -","- C180 H176 N16 O12 -","4","2","","Eseola, Abiodun O.; Adepitan, Oluseyi; Görls, Helmar; Plass, Winfried","Electronic/substituents influence on imidazole ring donor–acceptor capacities using 1H-imidazo[4,5-f][1,10]phenanthroline frameworks","New Journal of Chemistry","2012","36","4","891","","10.1039/c2nj20880f","","","0.71073","MoKα","","0.1226","0.089","","","0.1584","0.1773","","","","","","1.202","","","","has coordinates","301851","2025-08-21","20:32:42",""
"7052875","14.181","0.003","12.54","0.003","16.598","0.003","90","","107.48","0.03","90","","2815.3","1.1","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C37 H28 N4 O -","- C37 H28 N4 O -","- C148 H112 N16 O4 -","4","1","","Eseola, Abiodun O.; Adepitan, Oluseyi; Görls, Helmar; Plass, Winfried","Electronic/substituents influence on imidazole ring donor–acceptor capacities using 1H-imidazo[4,5-f][1,10]phenanthroline frameworks","New Journal of Chemistry","2012","36","4","891","","10.1039/c2nj20880f","","","0.71073","MoKα","","0.1106","0.0699","","","0.1472","0.1759","","","","","","1.136","","","","has coordinates","301851","2025-08-21","20:32:42",""
"7052876","12.3937","0.0007","19.33","0.0009","17.2992","0.0007","90","","95.75","","90","","4123.5","0.3","187","2","187","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34 H40 Ag4 N6 O16 -","- C34 H40 Ag4 N6 O16 -","- C136 H160 Ag16 N24 O64 -","4","1","","Song, Xue-Zhi; Qin, Chao; Guan, Wei; Song, Shu-Yan; Zhang, Hong-Jie","An unusual three-dimensional self-penetrating network derived from cross-linking of two-fold interpenetrating nets via ligand-unsupported Ag‒Ag bonds: synthesis, structure, luminescence, and theoretical study","New Journal of Chemistry","2012","36","4","877","","10.1039/c2nj20888a","","","0.71073","MoKα","","0.0716","0.0396","","","0.0798","0.0933","","","","","","1.022","","","","has coordinates","180082","2020-10-21","18:00:00",""
"7052877","7.6395","0.0004","21.1972","0.0011","9.8455","0.0005","90","","97.683","0.001","90","","1580.03","0.14","123","2","123","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H15 N3 O6 -","- C18 H15 N3 O6 -","- C72 H60 N12 O24 -","4","1","","Song, Xue-Zhi; Qin, Chao; Guan, Wei; Song, Shu-Yan; Zhang, Hong-Jie","An unusual three-dimensional self-penetrating network derived from cross-linking of two-fold interpenetrating nets via ligand-unsupported Ag‒Ag bonds: synthesis, structure, luminescence, and theoretical study","New Journal of Chemistry","2012","36","4","877","","10.1039/c2nj20888a","","","0.71073","MoKα","","0.0751","0.0656","","","0.235","0.2431","","","","","","1.068","","","","has coordinates","180082","2020-10-21","18:00:00",""
"7052878","33.741","0.006","17.823","0.003","21.667","0.004","90","","90","","90","","13030","4","100","2","100","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C72 H88 N6 O9 -","- C72 H88 N6 O9 -","- C576 H704 N48 O72 -","8","1","","Patra, Subrata; Gunupuru, Ravi; Lo, Rabindranath; Suresh, E.; Ganguly, Bishwajit; Paul, Parimal","Cation-induced fluorescent excimer emission in calix[4]arene-chemosensors bearing quinoline as a fluorogenic unit: experimental, molecular modeling and crystallographic studies","New Journal of Chemistry","2012","36","4","988","","10.1039/c2nj20904g","","","0.71073","MoKα","","0.1104","0.0899","","","0.2024","0.215","","","","","","1.198","","","","has coordinates","301851","2025-08-21","20:32:42",""
"7052879","10.1151","0.0018","12.632","0.002","20.705","0.004","106.85","0.003","90.681","0.003","103.566","0.003","2452.2","0.8","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C52 H42 Cl6 N4 O6 -","- C52 H42 Cl6 N4 O6 -","- C104 H84 Cl12 N8 O12 -","2","1","","Patra, Subrata; Gunupuru, Ravi; Lo, Rabindranath; Suresh, E.; Ganguly, Bishwajit; Paul, Parimal","Cation-induced fluorescent excimer emission in calix[4]arene-chemosensors bearing quinoline as a fluorogenic unit: experimental, molecular modeling and crystallographic studies","New Journal of Chemistry","2012","36","4","988","","10.1039/c2nj20904g","","","0.71073","MoKα","","0.1182","0.088","","","0.2291","0.2498","","","","","","1.049","","","","has coordinates,has disorder","180082","2020-10-21","18:00:00",""
"7052880","28.539","0.004","17.712","0.002","36.055","0.004","90","","90","","90","","18225","4","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C56 H52 N4 O6 -","- C56 H52 N4 O6 -","- C896 H832 N64 O96 -","16","2","","Patra, Subrata; Gunupuru, Ravi; Lo, Rabindranath; Suresh, E.; Ganguly, Bishwajit; Paul, Parimal","Cation-induced fluorescent excimer emission in calix[4]arene-chemosensors bearing quinoline as a fluorogenic unit: experimental, molecular modeling and crystallographic studies","New Journal of Chemistry","2012","36","4","988","","10.1039/c2nj20904g","","","0.71073","MoKα","","0.135","0.0967","","","0.1662","0.1797","","","","","","1.186","","","","has coordinates","301851","2025-08-21","20:32:42",""
"7052881","15.4628","0.0009","24.0204","0.0016","13.4669","0.0009","90","","103.638","0.001","90","","4860.9","0.5","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C51 H44 Cl4 Hg2 N4 O7 -","- C51 H44 Cl4 Hg2 N4 O7 -","- C204 H176 Cl16 Hg8 N16 O28 -","4","1","","Patra, Subrata; Gunupuru, Ravi; Lo, Rabindranath; Suresh, E.; Ganguly, Bishwajit; Paul, Parimal","Cation-induced fluorescent excimer emission in calix[4]arene-chemosensors bearing quinoline as a fluorogenic unit: experimental, molecular modeling and crystallographic studies","New Journal of Chemistry","2012","36","4","988","","10.1039/c2nj20904g","","","0.71073","MoKα","","0.1067","0.0656","","","0.1847","0.2121","","","","","","1.031","","","","has coordinates","180082","2020-10-21","18:00:00",""
"7052882","15.618","0.004","17.009","0.004","19.256","0.005","90","","95.062","0.004","90","","5095","2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C57 H53 Cl5 Hg N4 O7 -","- C57 H53 Cl5 Hg N4 O7 -","- C228 H212 Cl20 Hg4 N16 O28 -","4","1","","Patra, Subrata; Gunupuru, Ravi; Lo, Rabindranath; Suresh, E.; Ganguly, Bishwajit; Paul, Parimal","Cation-induced fluorescent excimer emission in calix[4]arene-chemosensors bearing quinoline as a fluorogenic unit: experimental, molecular modeling and crystallographic studies","New Journal of Chemistry","2012","36","4","988","","10.1039/c2nj20904g","","","0.71073","MoKα","","0.1703","0.1255","","","0.2909","0.3127","","","","","","1.127","","","","has coordinates,has disorder","180082","2020-10-21","18:00:00",""
"7052883","9.5611","0.001","24.392","0.003","20.327","0.002","90","","91.353","0.003","90","","4739.2","0.9","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H76 N5 Nd Si6 -","- C31 H76 N5 Nd Si6 -","- C124 H304 N20 Nd4 Si24 -","4","1","","Wang, Yibin; Luo, Yunjie; Chen, Jue; Xue, Hanming; Liang, Hongze","Synthesis of mono(guanidinate) rare earth metal bis(amide) complexes and their performance in the ring-opening polymerization of l-lactide and rac-lactide","New Journal of Chemistry","2012","36","4","933","","10.1039/c2nj20925j","","","0.7107","MoKα","","0.0769","0.0543","","","0.1071","0.1166","","","","","","1.12","","","","has coordinates","301851","2025-08-21","20:32:42",""
"7052884","9.6391","0.0014","24.143","0.004","20.157","0.003","90","","91.219","0.003","90","","4689.8","1.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H76 Lu N5 Si6 -","- C31 H76 Lu N5 Si6 -","- C124 H304 Lu4 N20 Si24 -","4","1","","Wang, Yibin; Luo, Yunjie; Chen, Jue; Xue, Hanming; Liang, Hongze","Synthesis of mono(guanidinate) rare earth metal bis(amide) complexes and their performance in the ring-opening polymerization of l-lactide and rac-lactide","New Journal of Chemistry","2012","36","4","933","","10.1039/c2nj20925j","","","0.7107","MoKα","","0.0518","0.0419","","","0.0843","0.0881","","","","","","1.173","","","","has coordinates","301851","2025-08-21","20:32:42",""
"7052885","9.5883","0.0016","24.23","0.004","20.194","0.003","90","","91.177","0.005","90","","4690.6","1.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H76 N5 Si6 Y -","- C31 H76 N5 Si6 Y -","- C124 H304 N20 Si24 Y4 -","4","1","","Wang, Yibin; Luo, Yunjie; Chen, Jue; Xue, Hanming; Liang, Hongze","Synthesis of mono(guanidinate) rare earth metal bis(amide) complexes and their performance in the ring-opening polymerization of l-lactide and rac-lactide","New Journal of Chemistry","2012","36","4","933","","10.1039/c2nj20925j","","","0.7107","MoKα","","0.1394","0.107","","","0.1692","0.1803","","","","","","1.272","","","","has coordinates","301851","2025-08-21","20:32:42",""
"7052886","12.0258","0.0013","19.1155","0.0019","20.642","0.002","75.965","0.005","87.006","0.006","85.555","0.006","4586.9","0.8","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C31 H76 N5 O Si6 Y -","- C31 H76 N5 O Si6 Y -","- C124 H304 N20 O4 Si24 Y4 -","4","2","","Wang, Yibin; Luo, Yunjie; Chen, Jue; Xue, Hanming; Liang, Hongze","Synthesis of mono(guanidinate) rare earth metal bis(amide) complexes and their performance in the ring-opening polymerization of l-lactide and rac-lactide","New Journal of Chemistry","2012","36","4","933","","10.1039/c2nj20925j","","","0.71075","MoKα","","0.1048","0.0753","","","0.1266","0.1381","","","","","","1.141","","","","has coordinates","301851","2025-08-21","20:32:42",""
"7052887","13.912","0.004","31.687","0.009","15.107","0.004","90","","94.072","0.004","90","","6643","3","296","2","296","2","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C30 H56 Fe Mo6 N2 O19 -","- C30 H56 Fe Mo6 N2 O19 -","- C180 H336 Fe6 Mo36 N12 O114 -","6","3","","Xiong, Jun; Niu, Yujuan; Xu, Haisheng; Cao, Guolei; Liu, Bin; Hu, Huaiming; Xue, Ganglin","Charge-transfer salts based on Lindqvist and Keggin polyoxoanion acceptors and ferrocenyl cationic donors","New Journal of Chemistry","2012","36","5","1224","","10.1039/c2nj20911j","","","0.71073","MoKα","","0.13","0.0808","","","0.2007","0.2358","","","","","","1.008","","","","has coordinates","180082","2020-10-21","18:00:00",""
"7052888","10.9641","0.0009","12.2111","0.001","13.3301","0.0011","82.048","0.001","69.008","0.001","63.409","0.001","1489.5","0.2","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C58 H52 Fe2 Mo6 O19 P2 -","- C58 H52 Fe2 Mo6 O19 P2 -","- C58 H52 Fe2 Mo6 O19 P2 -","1","0.5","","Xiong, Jun; Niu, Yujuan; Xu, Haisheng; Cao, Guolei; Liu, Bin; Hu, Huaiming; Xue, Ganglin","Charge-transfer salts based on Lindqvist and Keggin polyoxoanion acceptors and ferrocenyl cationic donors","New Journal of Chemistry","2012","36","5","1224","","10.1039/c2nj20911j","","","0.71073","MoKα","","0.0335","0.0275","","","0.0653","0.0702","","","","","","1.05","","","","has coordinates","180082","2020-10-21","18:00:00",""
"7052889","10.959","0.002","12.295","0.004","13.315","0.003","79.488","0.004","69.27","0.002","63.598","0.002","1502.2","0.7","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C58 H52 Fe2 O19 P2 W6 -","- C58 H52 Fe2 O19 P2 W6 -","- C58 H52 Fe2 O19 P2 W6 -","1","0.5","","Xiong, Jun; Niu, Yujuan; Xu, Haisheng; Cao, Guolei; Liu, Bin; Hu, Huaiming; Xue, Ganglin","Charge-transfer salts based on Lindqvist and Keggin polyoxoanion acceptors and ferrocenyl cationic donors","New Journal of Chemistry","2012","36","5","1224","","10.1039/c2nj20911j","","","0.71073","MoKα","","0.0431","0.0348","","","0.0782","0.0846","","","","","","1.042","","","","has coordinates","180082","2020-10-21","18:00:00",""
"7052890","12.8828","0.001","12.9682","0.001","25.7657","0.0019","90","","99.404","0.001","90","","4246.7","0.6","296","2","296","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C60 H88 Fe4 Mo12 N4 O40 P -","- C60 H88 Fe4 Mo12 N4 O40 P -","- C120 H176 Fe8 Mo24 N8 O80 P2 -","2","0.5","","Xiong, Jun; Niu, Yujuan; Xu, Haisheng; Cao, Guolei; Liu, Bin; Hu, Huaiming; Xue, Ganglin","Charge-transfer salts based on Lindqvist and Keggin polyoxoanion acceptors and ferrocenyl cationic donors","New Journal of Chemistry","2012","36","5","1224","","10.1039/c2nj20911j","","","0.71073","MoKα","","0.0421","0.0354","","","0.0766","0.0809","","","","","","1.074","","","","has coordinates","180082","2020-10-21","18:00:00",""
"7052891","10.4784","0.0014","17.878","0.002","18.967","0.0018","71.198","0.001","87.749","0.003","76.002","0.002","3260.8","0.6","291","2","291","2","","","","","","","","6","P -1","-P 1","2","","","","- C61 H68 Cr Mn3 N12 O12 -","- C61 H68 Cr Mn3 N12 O12 -","- C122 H136 Cr2 Mn6 N24 O24 -","2","1","","Shen, Xiaoping; Zhang, Qian; Zhou, Hongbo; Zhou, Hu; Yuan, Aihua","Syntheses, crystal structures and magnetic properties of two low-dimensional cyano-bridged CrIII‒MnII/III assemblies","New Journal of Chemistry","2012","36","5","1180","","10.1039/c2nj20966g","","","0.71073","MoKα","","0.0818","0.0534","","","0.0998","0.1043","","","","","","1.093","","","","has coordinates","180082","2020-10-21","18:00:00",""
"7052892","10.1986","0.0012","18.9137","0.0013","13.8337","0.0019","90","","90","","90","","2668.4","0.5","291","2","291","2","","","","","","","","7","P n n 2","P 2 -2n","34","","","","- C46 H38 Cl Cr Mn2 N14 O3 -","- C46 H38 Cl Cr Mn2 N14 O3 -","- C92 H76 Cl2 Cr2 Mn4 N28 O6 -","2","0.5","","Shen, Xiaoping; Zhang, Qian; Zhou, Hongbo; Zhou, Hu; Yuan, Aihua","Syntheses, crystal structures and magnetic properties of two low-dimensional cyano-bridged CrIII‒MnII/III assemblies","New Journal of Chemistry","2012","36","5","1180","","10.1039/c2nj20966g","","","0.71073","MoKα","","0.0739","0.057","","","0.1047","0.1078","","","","","","1.042","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7052893","12.036","0.005","23.769","0.009","10.114","0.004","90","","99.954","0.006","90","","2850","2","223","","223","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H8 Cl2 N2 O2 -","- C15 H8 Cl2 N2 O2 -","- C120 H64 Cl16 N16 O16 -","8","2","","Batista, Victor S.; Crabtree, Robert H.; Konezny, Steven J.; Luca, Oana R.; Praetorius, Jeremy M.","Oxidative functionalization of benzylic C–H bonds by DDQ","New Journal of Chemistry","2012","36","5","1141","","10.1039/c2nj40021a","","","0.71075","MoKα","","","0.0568","","","","0.1481","","","","","","1.045","","","","has coordinates","301851","2025-08-21","20:32:42",""
"7052894","8.197","0.0008","12.4418","0.00014","21.9418","0.0003","90","","90","","90","","2237.7","0.2","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C13 H15 B Zr -","- C13 H15 B Zr -","- C104 H120 B8 Zr8 -","8","1","","Glöckner, Andreas; Cui, Peng; Chen, Yaofeng; Daniliuc, Constantin G.; Jones, Peter G.; Tamm, Matthias","Boratatrozircenes: cycloheptatrienyl zirconium boratabenzene sandwich complexes – evaluation of potential η6–η5 hapticity interconversions","New Journal of Chemistry","2012","36","6","1392","","10.1039/c2nj40059f","","","1.54184","CuKα","","0.0187","0.018","","","0.0475","0.048","","","","","","1.088","","","","has coordinates","301851","2025-08-21","20:32:42",""
"7052895","10.5081","0.0002","11.2379","0.0004","14.8903","0.0004","90","","90","","90","","1758.38","0.09","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H25 B N2 Zr -","- C20 H25 B N2 Zr -","- C80 H100 B4 N8 Zr4 -","4","1","","Glöckner, Andreas; Cui, Peng; Chen, Yaofeng; Daniliuc, Constantin G.; Jones, Peter G.; Tamm, Matthias","Boratatrozircenes: cycloheptatrienyl zirconium boratabenzene sandwich complexes – evaluation of potential η6–η5 hapticity interconversions","New Journal of Chemistry","2012","36","6","1392","","10.1039/c2nj40059f","","","0.71073","MoKα","","0.0298","0.0236","","","0.0449","0.0466","","","","","","1.06","","","","has coordinates","301851","2025-08-21","20:32:42",""
"7052896","17.093","0.0004","15.9788","0.0002","12.2654","0.0002","90","","108.696","0.002","90","","3173.22","0.11","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H24 B P Zr -","- C16 H24 B P Zr -","- C128 H192 B8 P8 Zr8 -","8","2","","Glöckner, Andreas; Cui, Peng; Chen, Yaofeng; Daniliuc, Constantin G.; Jones, Peter G.; Tamm, Matthias","Boratatrozircenes: cycloheptatrienyl zirconium boratabenzene sandwich complexes – evaluation of potential η6–η5 hapticity interconversions","New Journal of Chemistry","2012","36","6","1392","","10.1039/c2nj40059f","","","1.54184","CuKα","","0.0372","0.0316","","","0.0809","0.0838","","","","","","1.061","","","","has coordinates","301851","2025-08-21","20:32:42",""
"7052897","17.5992","0.0006","8.0986","0.0003","11.9967","0.0005","90","","102.029","0.004","90","","1672.33","0.11","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H21 B Si Zr -","- C17 H21 B Si Zr -","- C68 H84 B4 Si4 Zr4 -","4","1","","Glöckner, Andreas; Cui, Peng; Chen, Yaofeng; Daniliuc, Constantin G.; Jones, Peter G.; Tamm, Matthias","Boratatrozircenes: cycloheptatrienyl zirconium boratabenzene sandwich complexes – evaluation of potential η6–η5 hapticity interconversions","New Journal of Chemistry","2012","36","6","1392","","10.1039/c2nj40059f","","","1.54184","CuKα","","0.0642","0.0567","","","0.1505","0.1571","","","","","","1.064","","","","has coordinates","301851","2025-08-21","20:32:42",""
"7052898","12.1722","0.0007","6.1586","0.0003","12.0356","0.0006","90","","90.762","0.003","90","","902.15","0.08","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C7 H5 Cl F5 N -","- C7 H5 Cl F5 N -","- C28 H20 Cl4 F20 N4 -","4","1","","Giese, Michael; Albrecht, Markus; Wiemer, Katharina; Valkonen, Arto; Rissanen, Kari","Controlling the position of anions relative to a pentafluorophenyl group","New Journal of Chemistry","2012","36","6","1368","","10.1039/c2nj40089h","","","0.71073","MoKα","","0.0482","0.0366","","","0.0853","0.0895","","","","","","1.026","","","","has coordinates","301851","2025-08-21","20:32:42",""
"7052899","14.8569","0.0005","5.4919","0.0003","23.4876","0.001","90","","90","","90","","1916.41","0.15","123","2","123","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C8 H7 Cl F5 N -","- C8 H7 Cl F5 N -","- C64 H56 Cl8 F40 N8 -","8","2","","Giese, Michael; Albrecht, Markus; Wiemer, Katharina; Valkonen, Arto; Rissanen, Kari","Controlling the position of anions relative to a pentafluorophenyl group","New Journal of Chemistry","2012","36","6","1368","","10.1039/c2nj40089h","","","0.71073","MoKα","","0.0622","0.0462","","","0.1098","0.1201","","","","","","1.048","","","","has coordinates","301851","2025-08-21","20:32:42",""
"7052900","10.369","0.007","12.645","0.009","14.307","0.009","102.839","0.013","92.253","0.014","102.395","0.011","1779","2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","Catena-(bis(mu2-4,4-trimethylenedipyridine)) copper(ii) dinitrate 1,2-dichlorobenzene methanol solvate","Catena-(bis(mu2-4,4-trimethylenedipyridine)) copper(ii) dinitrate 1,2-dichlorobenzene methanol solvate","","- C33.75 H39 Cl2 Cu N6 O7.75 -","- C33.75 H39 Cl2 Cu N6 O7.75 -","- C67.5 H78 Cl4 Cu2 N12 O15.5 -","2","1","","Liu, Shisi; Ananthoji, Ramakanth; Han, Sungyub; Knudsen, Bernard; Li, Xiao; Wojtas, Lukasz; Massing, Justin; Gauthier, Carmen Valdez; Harmon, Julie P.","Poly(methyl methacrylate) composites of copper-4,4′-trimethylenedipyridine","New Journal of Chemistry","2012","36","7","1449","","10.1039/c2nj20745a","","","0.71073","MoKα","","0.1486","0.0771","","","0.1639","0.193","","","","","","1.013","","","","has coordinates,has disorder","180083","2020-10-21","18:00:00",""
"7052901","9.5655","0.0009","8.3881","0.0007","10.9272","0.0011","90","","91.718","0.008","90","","876.36","0.14","173","2","173","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Sodium 1-(Carboxylatomethyl-3,5-diaminotriazole dihydrate)","Sodium 1-(Carboxylatomethyl-3,5-diaminotriazole dihydrate)","","- C4 H10 N5 Na O4 -","- C4 H10 N5 Na O4 -","- C16 H40 N20 Na4 O16 -","4","1","","Klapötke, Thomas M.; Nordheider, Andreas; Stierstorfer, Jörg","Synthesis and reactivity of an unexpected highly sensitive 1-carboxymethyl-3-diazonio-5-nitrimino-1,2,4-triazole","New Journal of Chemistry","2012","36","7","1463","","10.1039/c2nj40044h","","","0.71073","MoKα","","0.0547","0.0313","","","0.0492","0.0519","","","","","","0.801","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7052902","5.9153","0.0005","9.196","0.0008","9.4344","0.0008","93.949","0.007","90.503","0.007","104.609","0.007","495.25","0.08","173","2","173","","","","","","","","","4","P -1","-P 1","2","","","","- C4 H7 N7 O6 -","- C4 H7 N7 O6 -","- C8 H14 N14 O12 -","2","1","","Klapötke, Thomas M.; Nordheider, Andreas; Stierstorfer, Jörg","Synthesis and reactivity of an unexpected highly sensitive 1-carboxymethyl-3-diazonio-5-nitrimino-1,2,4-triazole","New Journal of Chemistry","2012","36","7","1463","","10.1039/c2nj40044h","","","0.71073","MoKα","","0.0625","0.0322","","","0.0513","0.0556","","","","","","0.802","","","","has coordinates","301851","2025-08-21","20:32:42",""
"7052903","10.3123","0.0007","6.8821","0.0005","12.2305","0.0009","90","","98.873","0.007","90","","857.61","0.11","173","2","173","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C4 H4 N8 O4 -","- C4 H4 N8 O4 -","- C16 H16 N32 O16 -","4","1","","Klapötke, Thomas M.; Nordheider, Andreas; Stierstorfer, Jörg","Synthesis and reactivity of an unexpected highly sensitive 1-carboxymethyl-3-diazonio-5-nitrimino-1,2,4-triazole","New Journal of Chemistry","2012","36","7","1463","","10.1039/c2nj40044h","","","0.71073","MoKα","","0.0557","0.033","","","0.0665","0.0705","","","","","","0.859","","","","has coordinates","301851","2025-08-21","20:32:42",""
"7052904","23.681","0.008","4.9756","0.0018","33.914","0.012","90","","94.726","0.005","90","","3982","2","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C24 H22 O4 -","- C24 H22 O4 -","- C192 H176 O32 -","8","1","","Boiani, Mattia; Baschieri, Andrea; Cesari, Cristiana; Mazzoni, Rita; Stagni, Stefano; Zacchini, Stefano; Sambri, Letizia","A new tetraarylcyclopentadienone based low molecular weight gelator: synthesis, self-assembly properties and anion recognition","New Journal of Chemistry","2012","36","7","1469","","10.1039/c2nj40073a","","","0.71073","MoKα","","0.1309","0.0986","","","0.2606","0.2948","","","","","","1.02","","","","has coordinates,has disorder","301851","2025-08-21","20:32:42",""
"7052905","6.0489","0.0017","13.222","0.004","20.272","0.006","73.883","0.004","86.839","0.004","77.762","0.004","1522.2","0.8","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C39 H32 O3 -","- C39 H32 O3 -","- C78 H64 O6 -","2","1","","Boiani, Mattia; Baschieri, Andrea; Cesari, Cristiana; Mazzoni, Rita; Stagni, Stefano; Zacchini, Stefano; Sambri, Letizia","A new tetraarylcyclopentadienone based low molecular weight gelator: synthesis, self-assembly properties and anion recognition","New Journal of Chemistry","2012","36","7","1469","","10.1039/c2nj40073a","","","0.71073","MoKα","","0.231","0.1055","","","0.2703","0.3554","","","","","","1.008","","","","has coordinates,has disorder","301851","2025-08-21","20:32:42",""
"7052906","8.7424","0.0002","8.9246","0.0002","11.6251","0.0003","90","","108.592","0.001","90","","859.68","0.04","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Tetrakis(μ-amino-ethanolato-κN,O:O)-dibromido-tricopper(II)","","- C8 H24 Br2 Cu3 N4 O4 -","- C8 H24 Br2 Cu3 N4 O4 -","- C16 H48 Br4 Cu6 N8 O8 -","2","0.5","","Maclaren, Jana K.; Sanchiz, Joaquín; Gili, Pedro; Janiak, Christoph","Hydrophobic-exterior layer structures and magnetic properties of trinuclear copper complexes with chiral amino alcoholate ligands","New Journal of Chemistry","2012","36","8","1596","","10.1039/c2nj40063d","","","0.71073","MoKα","","0.0473","0.0366","","","0.0924","0.0991","","","","","","1.042","","","","has coordinates","180083","2020-10-21","18:00:00",""
"7052907","9.0782","0.0018","11.603","0.002","12.489","0.003","102.76","0.03","100.94","0.03","90","0.03","1258.5","0.5","118","2","118","2","","","","","","","","6","P 1","P 1","1","","Tetrakis(μ-(R)-2-amino-butan-1-olato-κN,O:O)-dibromido-tricopper(II)","","- C16 H40 Br2 Cu3 N4 O4 -","- C16 H40 Br2 Cu3 N4 O4 -","- C32 H80 Br4 Cu6 N8 O8 -","2","2","","Maclaren, Jana K.; Sanchiz, Joaquín; Gili, Pedro; Janiak, Christoph","Hydrophobic-exterior layer structures and magnetic properties of trinuclear copper complexes with chiral amino alcoholate ligands","New Journal of Chemistry","2012","36","8","1596","","10.1039/c2nj40063d","","","0.71073","MoKα","","0.1358","0.0994","","","0.2423","0.273","","","","","","0.994","","","","has coordinates","180083","2020-10-21","18:00:00",""
"7052908","10.27","0.0017","12.8186","0.0016","20.588","0.003","90","","93.281","0.008","90","","2705.9","0.7","103","2","103","2","","","","","","","","6","P 1 21 1","P 2yb","4","Bis(bis(mu-(R)-2-amino-butan-1-olato-kappaN,O:O)-dibromido- dicopper(ii))-(bis((R)-2-amino-butan-1-ol-kappaN,O)-dibromido- copper(ii))-(((R)-2-amino-butan-1-ol-kappaN,O)-dibromido-methanol- copper(ii))","Bis[bis(μ-(R)-2-amino-butan-1-olato-κN,O:O)-dibromido-dicopper(II)]- [bis((R)-2-amino-butan-1-ol-κN,O)-dibromido-copper(II)]- [((R)-2-amino-butan-1-ol-κN,O)-dibromido-methanol-copper(II)]","","- C29 H77 Br8 Cu6 N7 O8 -","- C29 H77 Br8 Cu6 N7 O8 -","- C58 H154 Br16 Cu12 N14 O16 -","2","1","","Maclaren, Jana K.; Sanchiz, Joaquín; Gili, Pedro; Janiak, Christoph","Hydrophobic-exterior layer structures and magnetic properties of trinuclear copper complexes with chiral amino alcoholate ligands","New Journal of Chemistry","2012","36","8","1596","","10.1039/c2nj40063d","","","0.71073","MoKα","","0.1149","0.0649","","","0.126","0.1502","","","","","","1.039","","","","has coordinates","180083","2020-10-21","18:00:00",""
"7052909","10.3649","0.0003","12.7064","0.0003","19.3781","0.0005","90","","92.255","0.002","90","","2550.13","0.12","103","2","103","2","","","","","","","","6","P 1 21 1","P 2yb","4","","Bis[bis(μ-(R)-2-amino-butan-1-olato-κN,O:O)-dibromido-dicopper(II)]- bis[((R)-2-amino-butan-1-ol-κN,O)-dibromido-ethanol-copper(II)]","","- C28 H74 Cl8 Cu6 N6 O8 -","- C28 H74 Cl8 Cu6 N6 O8 -","- C56 H148 Cl16 Cu12 N12 O16 -","2","1","","Maclaren, Jana K.; Sanchiz, Joaquín; Gili, Pedro; Janiak, Christoph","Hydrophobic-exterior layer structures and magnetic properties of trinuclear copper complexes with chiral amino alcoholate ligands","New Journal of Chemistry","2012","36","8","1596","","10.1039/c2nj40063d","","","0.71073","MoKα","","0.096","0.0494","","","0.0912","0.1095","","","","","","1.04","","","","has coordinates,has disorder","180083","2020-10-21","18:00:00",""
"7052910","16.226","0.0003","16.2256","0.0003","5.601","0.0001","90","","90","","90","","1474.61","0.05","100","2","100","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","Bis[rac-(2-amino-butan-1-olato-κN,O)-rac-(2-amino-butan-1-ol-κN,O)-aqua- copper(II)] di-perchlorate","","- C16 H46 Cl2 Cu2 N4 O14 -","- C16 H45.77 Cl2 Cu2 N4 O14 -","- C32 H91.54 Cl4 Cu4 N8 O28 -","2","0.5","","Maclaren, Jana K.; Sanchiz, Joaquín; Gili, Pedro; Janiak, Christoph","Hydrophobic-exterior layer structures and magnetic properties of trinuclear copper complexes with chiral amino alcoholate ligands","New Journal of Chemistry","2012","36","8","1596","","10.1039/c2nj40063d","","","0.71073","MoKα","","0.0602","0.0558","","","0.155","0.1606","","","","","","1.058","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7052911","16.0982","0.0007","8.9954","0.0006","30.894","0.0018","90","","101.433","0.004","90","","4385","0.4","120","2","120","2","","","","","","","synthesis as described","6","C 1 2/c 1","-C 2yc","15","","","","- C17 H36 N2 O3 S Si -","- C17 H36 N2 O3 S Si -","- C136 H288 N16 O24 S8 Si8 -","8","1","","Baranowska, Katarzyna; Piwowarska, Natalia; Herman, Aleksander; Dołęga, Anna","Imidazolium silanethiolates relevant to the active site of cysteine proteases. A cooperative effect in a chain of NH+⋯S− hydrogen bonds","New Journal of Chemistry","2012","36","8","1574","","10.1039/c2nj40114b","","x-ray","0.71073","MoKα","","0.089","0.0644","","","0.1578","0.1742","","","","","","1.332","","","","has coordinates","301851","2025-08-21","20:32:42",""
"7052912","15.8343","0.0004","9.0503","0.0001","15.8977","0.0006","90","","109.061","0.004","90","","2153.31","0.11","120","2","120","2","","","","","","","synthesis as described","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H34 N2 O3 S Si -","- C16 H34 N2 O3 S Si -","- C64 H136 N8 O12 S4 Si4 -","4","1","","Baranowska, Katarzyna; Piwowarska, Natalia; Herman, Aleksander; Dołęga, Anna","Imidazolium silanethiolates relevant to the active site of cysteine proteases. A cooperative effect in a chain of NH+⋯S− hydrogen bonds","New Journal of Chemistry","2012","36","8","1574","","10.1039/c2nj40114b","","x-ray","0.71073","MoKα","","0.0465","0.0409","","","0.1077","0.1161","","","","","","1.117","","","","has coordinates,has disorder","180083","2020-10-21","18:00:00",""
"7052913","15.691","0.008","9.7022","0.0009","31.2081","0.0012","90","","103.24","0.05","90","","4625","3","120","2","120","2","","","","","","","synthesis as described","6","C 1 2/c 1","-C 2yc","15","","","","- C18 H38 N2 O3 S Si -","- C18 H38 N2 O3 S Si -","- C144 H304 N16 O24 S8 Si8 -","8","1","","Baranowska, Katarzyna; Piwowarska, Natalia; Herman, Aleksander; Dołęga, Anna","Imidazolium silanethiolates relevant to the active site of cysteine proteases. A cooperative effect in a chain of NH+⋯S− hydrogen bonds","New Journal of Chemistry","2012","36","8","1574","","10.1039/c2nj40114b","","x-ray","0.71073","MoKα","","0.0496","0.0437","","","0.1094","0.1122","","","","","","1.089","","","","has coordinates","301851","2025-08-21","20:32:42",""
"7052914","9.1371","0.0014","9.2116","0.0015","10.2632","0.0017","63.521","0.008","68.961","0.007","72.657","0.007","711.7","0.2","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H28 Cu2 N4 O12 -","- C26 H28 Cu2 N4 O12 -","- C26 H28 Cu2 N4 O12 -","1","0.5","","Kopylovich, Maximilian N.; Gajewska, Malgorzata J.; Mahmudov, Kamran T.; Kirillova, Marina V.; Figiel, Paweł J.; Guedes da Silva, M. Fátima C.; Gil-Hernández, Beatriz; Sanchiz, Joaquin; Pombeiro, Armando J. L.","Copper(ii) complexes with a new carboxylic-functionalized arylhydrazone of β-diketone as effective catalysts for acid-free oxidations","New Journal of Chemistry","2012","36","8","1646","","10.1039/c2nj40210f","","","0.71069","MoKα","","0.0896","0.0442","","","0.1041","0.1243","","","","","","0.976","","","","has coordinates","301851","2025-08-21","20:32:42",""
"7052915","8.6358","0.0002","10.3215","0.0002","10.8552","0.0003","85.894","0.001","71.985","0.002","66.528","0.001","842.52","0.04","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H19 Cu N3 O7 -","- C15 H19 Cu N3 O7 -","- C30 H38 Cu2 N6 O14 -","2","1","","Kopylovich, Maximilian N.; Gajewska, Malgorzata J.; Mahmudov, Kamran T.; Kirillova, Marina V.; Figiel, Paweł J.; Guedes da Silva, M. Fátima C.; Gil-Hernández, Beatriz; Sanchiz, Joaquin; Pombeiro, Armando J. L.","Copper(ii) complexes with a new carboxylic-functionalized arylhydrazone of β-diketone as effective catalysts for acid-free oxidations","New Journal of Chemistry","2012","36","8","1646","","10.1039/c2nj40210f","","","0.71069","MoKα","","0.028","0.025","","","0.0689","0.0716","","","","","","0.973","","","","has coordinates","206958","2020-10-21","18:00:00",""
"7052916","11.277","0.001","15.661","0.001","19.109","0.002","90","","96.66","0.01","90","","3352","0.5","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","iodo-(2,9-dimetyl-1,10-phenanthroline-N,N')- (tris(thiomorpholinomethyl) phosphine-P)-copper(i) hydrate","iodo-(2,9-dimetyl-1,10-phenanthroline-N,N')-(tris(thiomorpholinomethyl) phosphine-P)-copper(i) hydrate","","- C29 H42.4 Cu I N5 O0.2 P S3 -","- C29 H42 Cu I N5 O0.2 P S3 -","- C116 H168 Cu4 I4 N20 O0.8 P4 S12 -","4","1","","Starosta, Radosław; Komarnicka, Urszula K.; Puchalska, Małgorzata; Barys, Maciej","Solid state luminescence of copper(i) (pseudo)halide complexes with neocuproine and aminomethylphosphanes derived from morpholine and thiomorpholine","New Journal of Chemistry","2012","36","8","1673","","10.1039/c2nj40229g","","","0.71073","MoKα","","0.0501","0.0297","","","0.0664","0.0696","","","","","","0.923","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7052917","8.067","0.001","13.205","0.001","16.127","0.002","86.1","0.02","76.29","0.01","77.52","0.01","1629.3","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","Isothiocyanato-(2,9-dimetyl-1,10-phenanthroline-N,N') -(tris(morpholinomethyl)phosphine-P)-copper(i)","","- C30 H42 Cu N6 O3 P S -","- C30 H42 Cu N6 O3 P S -","- C60 H84 Cu2 N12 O6 P2 S2 -","2","1","","Starosta, Radosław; Komarnicka, Urszula K.; Puchalska, Małgorzata; Barys, Maciej","Solid state luminescence of copper(i) (pseudo)halide complexes with neocuproine and aminomethylphosphanes derived from morpholine and thiomorpholine","New Journal of Chemistry","2012","36","8","1673","","10.1039/c2nj40229g","","","0.71073","MoKα","","0.1108","0.0453","","","0.0711","0.0804","","","","","","0.822","","","","has coordinates","301851","2025-08-21","20:32:42",""
"7052918","9.313","0.001","13.258","0.005","14.436","0.002","87.45","0.01","84.99","0.01","71.36","0.02","1682.2","0.7","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","isothiocyanato-(2,9-dimetyl-1,10-phenanthroline-N,N')- (tris(thiomorpholinomethyl) phosphine-P)-copper(i)","","- C30 H42 Cu N6 P S4 -","- C30 H42 Cu N6 P S4 -","- C60 H84 Cu2 N12 P2 S8 -","2","1","","Starosta, Radosław; Komarnicka, Urszula K.; Puchalska, Małgorzata; Barys, Maciej","Solid state luminescence of copper(i) (pseudo)halide complexes with neocuproine and aminomethylphosphanes derived from morpholine and thiomorpholine","New Journal of Chemistry","2012","36","8","1673","","10.1039/c2nj40229g","","","0.71073","MoKα","","0.1647","0.0615","","","0.117","0.1398","","","","","","0.809","","","","has coordinates","301851","2025-08-21","20:32:42",""
"7052919","9.2902","0.0002","13.6836","0.0003","16.069","0.0003","85.521","0.001","80.357","0.001","88.534","0.001","2007.57","0.07","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C51 H27 D8 N7.5 O5 -","- C51.25 H27 D8 N7.25 O5 -","- C102.5 H54 D16 N14.5 O10 -","2","1","","Fernández-Mato, Antonio; Quintela, José M.; Peinador, Carlos","Novel naphthyridine-based compounds in small molecular non-doped OLEDs: synthesis, properties and their versatile applications for organic light-emitting diodes","New Journal of Chemistry","2012","36","8","1634","","10.1039/c2nj40279c","","","0.71073","MoKα","","0.0762","0.0533","","","0.1468","0.1686","","","","","","1.062","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7052920","6.98977","0.00007","20.8653","0.0002","14.1374","0.0001","90","","92.862","0.001","90","","2059.28","0.03","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H23 B F4 N4 Pd -","- C20 H23 B F4 N4 Pd -","- C80 H92 B4 F16 N16 Pd4 -","4","1","","Khlebnikov, Vsevolod; Meduri, Angelo; Mueller-Bunz, Helge; Milani, Barbara; Albrecht, Martin","Synthesis of a sterically modulated pyridine‒NHC palladium complex and its reactivity towards ethylene","New Journal of Chemistry","2012","36","8","1552","","10.1039/c2nj40287d","","","0.71073","MoKα","","0.0255","0.0209","","","0.0484","0.0509","","","","","","1.074","","","","has coordinates","180083","2020-10-21","18:00:00",""
"7052921","13.8296","0.0005","6.6323","0.0002","35.6388","0.0012","90","","90.16","0.003","90","","3268.85","0.19","100","","100","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C15 H14 N6 O6 -","- C15 H14 N6 O6 -","- C120 H112 N48 O48 -","8","2","","Hofmann, Katja; Brumm, Susann; Mende, Carola; Nagel, Kevin; Seifert, Andreas; Roth, Isabelle; Schaarschmidt, Dieter; Lang, Heinrich; Spange, Stefan","Solvatochromism and acidochromism of azobenzene-functionalized poly(vinyl amines)","New Journal of Chemistry","2012","36","8","1655","","10.1039/c2nj40313g","","","1.54184","CuKα","","0.0325","0.0283","","","0.0673","0.0683","","","","","","0.995","","","","has coordinates","301851","2025-08-21","20:32:42",""
"7052922","11.6164","0.0011","7.8216","0.0006","22.019","0.0019","90","","100.544","0.011","90","","1966.8","0.3","153","2","153","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H17 Fe N3 O4 -","- C23 H17 Fe N3 O4 -","- C92 H68 Fe4 N12 O16 -","4","1","","Gasser, Gilles; Mari, Cristina; Burkart, Michelle; Green, Stephen J.; Ribas, Joan; Stoeckli-Evans, Helen; Tucker, James H. R.","Electrochemical, spectroscopic, magnetic and structural studies of complexes bearing ferrocenyl ligands of N-(3-hydroxypicolinoyl)picolinamide","New Journal of Chemistry","2012","36","9","1819","","10.1039/c2nj40177k","","","0.71073","MoKα","","0.0791","0.0453","","","0.0973","0.1038","","","","","","0.901","","","","has coordinates","180083","2020-10-21","18:00:00",""
"7052923","16.391","0.005","18.117","0.005","13.078","0.005","90","","91.029","0.005","90","","3883","2","153","2","153","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C38 H26 Cl6 Fe N6 O8 -","- C38 H26 Cl6 Fe N6 O8 -","- C152 H104 Cl24 Fe4 N24 O32 -","4","1","","Gasser, Gilles; Mari, Cristina; Burkart, Michelle; Green, Stephen J.; Ribas, Joan; Stoeckli-Evans, Helen; Tucker, James H. R.","Electrochemical, spectroscopic, magnetic and structural studies of complexes bearing ferrocenyl ligands of N-(3-hydroxypicolinoyl)picolinamide","New Journal of Chemistry","2012","36","9","1819","","10.1039/c2nj40177k","","","0.71073","MoKα","","0.0722","0.0439","","","0.0888","0.0961","","","","","","1.005","","","","has coordinates","180083","2020-10-21","18:00:00",""
"7052924","20.0421","0.0016","14.6971","0.0007","15.7895","0.001","90","","97.747","0.006","90","","4608.5","0.5","153","2","153","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C48 H35 Cu2 Fe2 I2 N7 O8 -","- C46 H32 Cu2 Fe2 I2 N6 O8 -","- C184 H128 Cu8 Fe8 I8 N24 O32 -","4","1","","Gasser, Gilles; Mari, Cristina; Burkart, Michelle; Green, Stephen J.; Ribas, Joan; Stoeckli-Evans, Helen; Tucker, James H. R.","Electrochemical, spectroscopic, magnetic and structural studies of complexes bearing ferrocenyl ligands of N-(3-hydroxypicolinoyl)picolinamide","New Journal of Chemistry","2012","36","9","1819","","10.1039/c2nj40177k","","","0.71073","MoKα","","0.0699","0.0458","","","0.1066","0.1196","","","","","","1.013","","","","has coordinates,has disorder","180083","2020-10-21","18:00:00",""
"7052925","21.131","0.002","15.2094","0.001","11.9706","0.0012","90","","97.344","0.008","90","","3815.7","0.6","153","2","153","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C39.5 H27.25 Cu2 Fe I2 N7.75 O8 -","- C36 H22 Cu2 Fe I2 N6 O8 -","- C144 H88 Cu8 Fe4 I8 N24 O32 -","4","0.5","","Gasser, Gilles; Mari, Cristina; Burkart, Michelle; Green, Stephen J.; Ribas, Joan; Stoeckli-Evans, Helen; Tucker, James H. R.","Electrochemical, spectroscopic, magnetic and structural studies of complexes bearing ferrocenyl ligands of N-(3-hydroxypicolinoyl)picolinamide","New Journal of Chemistry","2012","36","9","1819","","10.1039/c2nj40177k","","","0.71073","MoKα","","0.075","0.0529","","","0.1233","0.1323","","","","","","1.032","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7052926","6.485","0.004","5.583","0.003","10.854","0.006","90","","90.786","0.008","90","","392.9","0.4","153","2","153","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C2 H4 N12 -","- C2 H4 N12 -","- C4 H8 N24 -","2","0.5","","Li, Fang; Cong, Xiaomin; Du, Zhiming; He, Chunlin; Zhao, Linshuang; Meng, Lingqiao","1,1′-Diamino-5,5′-azotetrazole: a nitrogen rich compound","New Journal of Chemistry","2012","36","10","1953","","10.1039/c2nj40109f","","","0.71073","MoKα","","0.0463","0.0371","","","0.0826","0.0874","","","","","","1.001","","","","has coordinates","301851","2025-08-21","20:32:42",""
"7052927","8.661","0.003","8.102","0.002","10.043","0.003","90","","115.001","0.003","90","","638.7","0.3","153","2","153","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C8 H12 N12 -","- C8 H12 N12 -","- C16 H24 N24 -","2","0.5","","Li, Fang; Cong, Xiaomin; Du, Zhiming; He, Chunlin; Zhao, Linshuang; Meng, Lingqiao","1,1′-Diamino-5,5′-azotetrazole: a nitrogen rich compound","New Journal of Chemistry","2012","36","10","1953","","10.1039/c2nj40109f","","","0.71073","MoKα","","0.0498","0.0386","","","0.0949","0.1006","","","","","","0.998","","","","has coordinates","301851","2025-08-21","20:32:42",""
"7052928","7.533","0.003","7.408","0.002","12.029","0.004","90","","96.629","0.004","90","","666.8","0.4","153","2","153","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C4 H8 N6 -","- C4 H8 N6 -","- C16 H32 N24 -","4","1","","Li, Fang; Cong, Xiaomin; Du, Zhiming; He, Chunlin; Zhao, Linshuang; Meng, Lingqiao","1,1′-Diamino-5,5′-azotetrazole: a nitrogen rich compound","New Journal of Chemistry","2012","36","10","1953","","10.1039/c2nj40109f","","","0.71073","MoKα","","0.0645","0.0433","","","0.08","0.0878","","","","","","0.999","","","","has coordinates","301851","2025-08-21","20:32:42",""
"7052929","8.779","0.0002","24.3199","0.0006","30.6605","0.0008","71.677","0.002","84.871","0.002","83.43","0.002","6163.5","0.3","173","2","173","2","","","","","","","","4","P -1","-P 1","2","(cyclopropanecarboxylic acid).(isonicotinamide)","(cyclopropanecarboxylic acid).(isonicotinamide)","","- C10 H12 N2 O3 -","- C10 H12 N2 O3 -","- C240 H288 N48 O72 -","24","12","","Lemmerer, Andreas; Fernandes, Manuel A.","Adventures in co-crystal land: high Z′, stoichiometric variations, polymorphism and phase transitions in the co-crystals of four liquid and solid cyclic carboxylic acids with the supramolecular reagent isonicotinamide","New Journal of Chemistry","2012","36","11","2242","","10.1039/c2nj40186j","","","0.71073","MoKα","","0.1278","0.0627","","","0.1644","0.2002","","","","","","1.027","","","","has coordinates","301851","2025-08-21","20:32:42",""
"7052930","16.1822","0.0011","4.8068","0.0003","21.7053","0.0015","90","","102.36","0.004","90","","1649.21","0.19","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","bis(cyclobutanecarboxylic acid).(isonicotinamide) Form I","bis(cyclobutanecarboxylic acid).(isonicotinamide) Form I","","- C16 H22 N2 O5 -","- C16 H22 N2 O5 -","- C64 H88 N8 O20 -","4","1","","Lemmerer, Andreas; Fernandes, Manuel A.","Adventures in co-crystal land: high Z′, stoichiometric variations, polymorphism and phase transitions in the co-crystals of four liquid and solid cyclic carboxylic acids with the supramolecular reagent isonicotinamide","New Journal of Chemistry","2012","36","11","2242","","10.1039/c2nj40186j","","","0.71073","MoKα","","0.1093","0.0517","","","0.1145","0.1403","","","","","","0.984","","","","has coordinates","301851","2025-08-21","20:32:42",""
"7052931","10.505","0.0008","12.843","0.001","13.081","0.001","101.339","0.003","90.243","0.003","101.687","0.003","1692.7","0.2","173","2","173","2","","","","","","","","4","P -1","-P 1","2","bis(cyclobutanecarboxylic acid).(isonicotinamide) Form II","bis(cyclobutanecarboxylic acid).(isonicotinamide) Form II","","- C16 H22 N2 O5 -","- C16 H22 N2 O5 -","- C64 H88 N8 O20 -","4","2","","Lemmerer, Andreas; Fernandes, Manuel A.","Adventures in co-crystal land: high Z′, stoichiometric variations, polymorphism and phase transitions in the co-crystals of four liquid and solid cyclic carboxylic acids with the supramolecular reagent isonicotinamide","New Journal of Chemistry","2012","36","11","2242","","10.1039/c2nj40186j","","","0.71073","MoKα","","0.1566","0.0574","","","0.1196","0.1592","","","","","","0.975","","","","has coordinates","301851","2025-08-21","20:32:42",""
"7052932","6.9305","0.0007","8.9843","0.0008","10.836","0.001","113.556","0.003","95.236","0.003","97.39","0.003","605.75","0.1","173","2","173","2","","","","","","","","4","P -1","-P 1","2","(cylopentanecarboxylic acid).(isonicotinamide) Form II","(cylopentanecarboxylic acid).(isonicotinamide) Form II","","- C12 H16 N2 O3 -","- C12 H16 N2 O3 -","- C24 H32 N4 O6 -","2","1","","Lemmerer, Andreas; Fernandes, Manuel A.","Adventures in co-crystal land: high Z′, stoichiometric variations, polymorphism and phase transitions in the co-crystals of four liquid and solid cyclic carboxylic acids with the supramolecular reagent isonicotinamide","New Journal of Chemistry","2012","36","11","2242","","10.1039/c2nj40186j","","","0.71073","MoKα","","0.0754","0.0491","","","0.1284","0.1451","","","","","","1.025","","","","has coordinates,has disorder","301851","2025-08-21","20:32:42",""
"7052933","6.991","0.0001","8.981","0.0001","11.398","0.0001","67.479","0.001","81.065","0.001","83.458","0.001","651.877","0.014","173","2","173","2","","","","","","","","4","P -1","-P 1","2","(cyclohexanecarboxylic acid).(isonicotinamide) Form II","(cyclohexanecarboxylic acid).(isonicotinamide) Form II","","- C13 H18 N2 O3 -","- C13 H18 N2 O3 -","- C26 H36 N4 O6 -","2","1","","Lemmerer, Andreas; Fernandes, Manuel A.","Adventures in co-crystal land: high Z′, stoichiometric variations, polymorphism and phase transitions in the co-crystals of four liquid and solid cyclic carboxylic acids with the supramolecular reagent isonicotinamide","New Journal of Chemistry","2012","36","11","2242","","10.1039/c2nj40186j","","","0.71073","MoKα","","0.0669","0.0389","","","0.0937","0.1063","","","","","","1.002","","","","has coordinates","301851","2025-08-21","20:32:42",""
"7052934","6.9587","0.0004","9.0375","0.0005","12.3302","0.0008","68.763","0.003","76.211","0.003","82.636","0.003","701.2","0.07","336","2","336","2","","","","","","","","4","P -1","-P 1","2","(cyclohexanecarboxylic acid).(isonicotinamide) Form I","(cyclohexanecarboxylic acid).(isonicotinamide) Form I","","- C13 H18 N2 O3 -","- C13 H18 N2 O3 -","- C26 H36 N4 O6 -","2","1","","Lemmerer, Andreas; Fernandes, Manuel A.","Adventures in co-crystal land: high Z′, stoichiometric variations, polymorphism and phase transitions in the co-crystals of four liquid and solid cyclic carboxylic acids with the supramolecular reagent isonicotinamide","New Journal of Chemistry","2012","36","11","2242","","10.1039/c2nj40186j","","","0.71073","MoKα","","0.1331","0.0739","","","0.2275","0.2788","","","","","","1.056","","","","has coordinates,has disorder","301851","2025-08-21","20:32:42",""
"7052935","6.3808","0.0003","7.4452","0.0003","12.7044","0.0005","90","","90","","90","","603.54","0.04","293","","293","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Cu H4.8 N6.8 O1.2 -","- Cu H4.8 N6.8 O1.2 -","- Cu4 H19.2 N27.2 O4.8 -","4","0.5","","Tommasino, Jean-Bernard; Chastanet, Guillaume; Guennic, Boris Le; Robert, Vincent; Pilet, Guillaume","A 1D coordination polymer built on asymmetric μ1,1,3-azide bridge: from unusual topology to magnetic properties and Cu(ii)/Cu(i) redox reversibility","New Journal of Chemistry","2012","36","11","2228","","10.1039/c2nj40302a","","","0.71073","MoKα","","0.029","0.0237","","0.0298","0.027","0.0256","","","","","","1.1142","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7052936","26.907","0.004","29.784","0.004","20.352","0.003","90","","90","","90","","16310","4","133","2","133","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","heptakis(2,6-di-O-methyl)-beta-cyclodextrin.6,7,8,9,10,10 - hexachloro-1,5,5a,6,9,9a-hexahydro-6,9-methano-2,4,3-benzodioxathiepin 3-oxide","heptakis(2,6-di-O-methyl)-beta-cyclodextrin.6,7,8,9,10,10 -hexachloro-1,5,5a,6,9,9a-hexahydro-6,9-methano-2,4,3- benzodioxathiepin 3-oxide","","- C65 H106.08 Cl6 O39.04 S -","- C65 H103 Cl6 O39.045 S -","- C520 H824 Cl48 O312.36 S8 -","8","2","","Cruickshank, Dyanne L.; Bourne, Susan A.; Caira, Mino R.","A solid-state study of the inclusion of endosulfan in native and derivatised cyclodextrins using X-ray diffraction and thermoanalytical methods","New Journal of Chemistry","2012","36","10","2007","","10.1039/c2nj40364a","","","0.71073","MoKα","","0.185","0.1023","","","0.2548","0.3065","","","","","","0.974","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7052937","11.408","0.003","8.848","0.002","18.193","0.005","90","","97.562","0.011","90","","1820.4","0.8","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H19 B F2 N2 O2 -","- C20 H19 B F2 N2 O2 -","- C80 H76 B4 F8 N8 O8 -","4","1","","Tsay, Olga G.; Lee, Kang Mun; Churchill, David G.","Selective and competitive cysteine chemosensing: resettable fluorescent “turn on” aqueous detection via Cu2+ displacement and salicylaldimine hydrolysis","New Journal of Chemistry","2012","36","10","1949","","10.1039/c2nj40387k","","","0.71073","MoKα","","0.0691","0.0504","","","0.1167","0.1272","","","","","","1.032","","","","has coordinates","301851","2025-08-21","20:32:42",""
"7052938","13.996","0.002","11.0508","0.0017","14.095","0.002","90","","100.373","0.007","90","","2144.4","0.5","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C23 H25 B F2 N2 O2 -","- C23 H25 B F2 N2 O2 -","- C92 H100 B4 F8 N8 O8 -","4","1","","Tsay, Olga G.; Lee, Kang Mun; Churchill, David G.","Selective and competitive cysteine chemosensing: resettable fluorescent “turn on” aqueous detection via Cu2+ displacement and salicylaldimine hydrolysis","New Journal of Chemistry","2012","36","10","1949","","10.1039/c2nj40387k","","","0.71073","MoKα","","0.1","0.0844","","","0.2186","0.2299","","","","","","1.07","","","","has coordinates","301851","2025-08-21","20:32:42",""
"7052939","5.3358","0.0006","13.3538","0.0013","13.894","0.0018","101.26","0.01","90.396","0.01","101.111","0.009","951.72","0.19","160","","160","","","","","","","","","4","P -1","-P 1","2","","","","- C32 H60 Ni S8 -","- C32 H60 Ni S8 -","- C32 H60 Ni S8 -","1","0.5","","Bui, Thanh-Tuan; Vuong, Minh Ha; Bonneval, Bénédicte Garreau-de; Alary, Fabienne; Kane, Jacob; Duhayon, Carine; Sournia-Saquet, Alix; Moineau-Chane-Ching, Kathleen I.","Synthesis, X-ray crystal structures, optical properties and modelling data of neutral bis(1,2-dithiolene) nickel complexes of the “non-cyclic SR” family","New Journal of Chemistry","2012","36","10","2033","","10.1039/c2nj40398f","","","0.71073","MoKα","","0.1399","0.0457","","0.1185","0.0508","0.0508","","","","","","1.0969","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7052940","26.182","0.002","6.4642","0.0006","19.9353","0.0011","90","","107.729","0.006","90","","3213.7","0.4","150","","150","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C24 H44 Ni S8 -","- C24 H44 Ni S8 -","- C96 H176 Ni4 S32 -","4","0.5","","Bui, Thanh-Tuan; Vuong, Minh Ha; Bonneval, Bénédicte Garreau-de; Alary, Fabienne; Kane, Jacob; Duhayon, Carine; Sournia-Saquet, Alix; Moineau-Chane-Ching, Kathleen I.","Synthesis, X-ray crystal structures, optical properties and modelling data of neutral bis(1,2-dithiolene) nickel complexes of the “non-cyclic SR” family","New Journal of Chemistry","2012","36","10","2033","","10.1039/c2nj40398f","","","0.71073","MoKα","","0.0628","0.0316","","0.0653","0.0361","0.0361","","","","","","1.0474","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7052941","6.8273","0.0006","12.263","0.0011","7.4173","0.0007","90","","97.954","0.002","90","","615.03","0.1","273","2","273","2","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","","","- C14 H12 N4 -","- C14 H12 N4 -","- C28 H24 N8 -","2","0.5","","Yeh, Chun-Wei; Chang, Wen-Jung; Suen, Maw-Cherng; Jou, Chi-Hsiung; Wang, Ju-Chun","Silver(i) supramolecular complexes generated from polydentate ligands containing cyano and pyridyl groups","New Journal of Chemistry","2012","36","12","2520","","10.1039/c2nj40399d","","","0.71073","MoKα","","0.0472","0.0434","","","0.1277","0.1329","","","","","","1.088","","","","has coordinates","301851","2025-08-21","20:32:42",""
"7052942","9.1806","0.0019","16.9307","0.0009","11.4029","0.0011","90","","112.485","0.014","90","","1637.7","0.4","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H15 Ag N5 O4.5 -","- C14 H14 Ag N5 O4.5 -","- C56 H56 Ag4 N20 O18 -","4","1","","Yeh, Chun-Wei; Chang, Wen-Jung; Suen, Maw-Cherng; Jou, Chi-Hsiung; Wang, Ju-Chun","Silver(i) supramolecular complexes generated from polydentate ligands containing cyano and pyridyl groups","New Journal of Chemistry","2012","36","12","2520","","10.1039/c2nj40399d","","","0.71073","MoKα","","0.0537","0.037","","","0.0957","0.1052","","","","","","1.019","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7052943","9.3461","0.0013","16.2898","0.0015","12.2215","0.0015","90","","108.782","0.009","90","","1761.6","0.4","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H15 Ag Cl N4 O5 -","- C15 H15 Ag Cl N4 O5 -","- C60 H60 Ag4 Cl4 N16 O20 -","4","1","","Yeh, Chun-Wei; Chang, Wen-Jung; Suen, Maw-Cherng; Jou, Chi-Hsiung; Wang, Ju-Chun","Silver(i) supramolecular complexes generated from polydentate ligands containing cyano and pyridyl groups","New Journal of Chemistry","2012","36","12","2520","","10.1039/c2nj40399d","","","0.71073","MoKα","","0.1071","0.0497","","","0.0972","0.118","","","","","","1.01","","","","has coordinates,has disorder","180083","2020-10-21","18:00:00",""
"7052944","9.3243","0.0008","16.2532","0.0008","12.1352","0.0007","90","","109.483","0.005","90","","1733.8","0.2","298","2","298","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C15 H16 Ag B F4 N4 O -","- C15 H16 Ag B F4 N4 O -","- C60 H64 Ag4 B4 F16 N16 O4 -","4","1","","Yeh, Chun-Wei; Chang, Wen-Jung; Suen, Maw-Cherng; Jou, Chi-Hsiung; Wang, Ju-Chun","Silver(i) supramolecular complexes generated from polydentate ligands containing cyano and pyridyl groups","New Journal of Chemistry","2012","36","12","2520","","10.1039/c2nj40399d","","x-ray","0.71073","MoKα","","0.0512","0.0378","","","0.0903","0.0969","","","","","","1.035","","","","has coordinates,has disorder","180083","2020-10-21","18:00:00",""
"7052945","5.8153","0.0006","12.6387","0.0012","16.3614","0.0015","90","","92.692","0.002","90","","1201.2","0.2","295","2","295","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C14 H12 N4 -","- C14 H12 N4 -","- C56 H48 N16 -","4","1","","Yeh, Chun-Wei; Chang, Wen-Jung; Suen, Maw-Cherng; Jou, Chi-Hsiung; Wang, Ju-Chun","Silver(i) supramolecular complexes generated from polydentate ligands containing cyano and pyridyl groups","New Journal of Chemistry","2012","36","12","2520","","10.1039/c2nj40399d","","","0.71073","MoKα","","0.0628","0.0453","","","0.1207","0.1342","","","","","","1.043","","","","has coordinates","301851","2025-08-21","20:32:42",""
"7052946","8.4131","0.0006","12.2429","0.001","15.7364","0.0012","90.055","0.001","98.513","0.002","107.133","0.002","1530.2","0.2","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H24 Ag2 N10 O6 -","- C28 H24 Ag2 N10 O6 -","- C56 H48 Ag4 N20 O12 -","2","1","","Yeh, Chun-Wei; Chang, Wen-Jung; Suen, Maw-Cherng; Jou, Chi-Hsiung; Wang, Ju-Chun","Silver(i) supramolecular complexes generated from polydentate ligands containing cyano and pyridyl groups","New Journal of Chemistry","2012","36","12","2520","","10.1039/c2nj40399d","","","0.71073","MoKα","","0.0594","0.0385","","","0.0892","0.0984","","","","","","1.031","","","","has coordinates,has disorder","180083","2020-10-21","18:00:00",""
"7052947","8.909","0.0011","11.0665","0.0014","14.3207","0.0017","99.183","0.002","101.952","0.002","91.228","0.002","1361.4","0.3","294","2","294","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H24.5 Ag N8 O2 S0.5 -","- C28 H24.5 Ag N8 O2 S0.5 -","- C56 H49 Ag2 N16 O4 S -","2","1","","Yeh, Chun-Wei; Chang, Wen-Jung; Suen, Maw-Cherng; Jou, Chi-Hsiung; Wang, Ju-Chun","Silver(i) supramolecular complexes generated from polydentate ligands containing cyano and pyridyl groups","New Journal of Chemistry","2012","36","12","2520","","10.1039/c2nj40399d","","","0.71073","MoKα","","0.1349","0.0977","","","0.2666","0.336","","","","","","1.162","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7052948","8.3257","0.0007","11.2037","0.0009","15.5132","0.0013","70.668","0.004","75.604","0.004","84.442","0.004","1322.42","0.19","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H27 N6 O9 -","- C27 H27 N6 O9 -","- C54 H54 N12 O18 -","2","1","","Jung, Sung Ho; Lee, Hyejin; Park, Sunhong; Jung, Jong Hwa","A cyanurate gel derived from two different hydrogen-bonding interactions in a binary system: evidence for the driving forces in gel formation","New Journal of Chemistry","2012","36","10","1957","","10.1039/c2nj40405b","","","0.71073","MoKα","","0.0549","0.0488","","","0.1392","0.1459","","","","","","1.047","","","","has coordinates","301851","2025-08-21","20:32:42",""
"7052949","11.9596","0.0003","12.1855","0.0002","19.6639","0.0002","90","","90","","90","","2865.69","0.09","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H42 Co2 N4 O14 -","- C20 H34 Co2 N4 O14 -","- C80 H136 Co8 N16 O56 -","4","1","","Prikhod'ko, Alexander; Pointillart, Fabrice; Golhen, Stéphane; Gavrilenko, Konstantin S.; Ouahab, Lahcène; Kolotilov, Sergey V.","Synthesis, structure, circular dichroism of a Δ(−)546-di-μ-hydroxo-tetrakis(S-prolinato)dicobalt(iii) complex and NMR study of its interaction with chiral and non-chiral probes in solutions","New Journal of Chemistry","2012","36","10","2070","","10.1039/c2nj40447h","","","0.71073","MoKα","","0.0563","0.045","","","0.1168","0.1241","","","","","","1.097","","","","has coordinates","180083","2020-10-21","18:00:00",""
"7052950","22.602","0.008","5.5689","0.0019","20.209","0.007","90","","109.72","0.006","90","","2394.5","1.4","153","2","153","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Z-4-phenyl-1-(pyridine-2-ylmethylene)semicarbazide","","","- C13 H12 N4 O -","- C13 H12 N4 O -","- C104 H96 N32 O8 -","8","2","","Lin, Lirong; Fan, Weizhen; Chen, Shui; Ma, Jie; Hu, Wangxia; Lin, Yiji; Zhang, Hui; Huang, Rongbin","Photochromism of (E)-4-phenyl-1-(pyridine-2-ylmethylene)semicarbazide","New Journal of Chemistry","2012","36","12","2562","","10.1039/c2nj40468k","","","0.71073","MoKα","","0.0999","0.0711","","","0.1566","0.1723","","","","","","1.085","","","","has coordinates","301851","2025-08-21","20:32:42",""
"7052951","17.889","0.003","8.6684","0.0009","18.288","0.002","90","","90","","90","","2835.9","0.6","153","2","153","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C29 H30 N8 O3 -","- C29 H30 N8 O3 -","- C116 H120 N32 O12 -","4","0.5","","Lin, Lirong; Fan, Weizhen; Chen, Shui; Ma, Jie; Hu, Wangxia; Lin, Yiji; Zhang, Hui; Huang, Rongbin","Photochromism of (E)-4-phenyl-1-(pyridine-2-ylmethylene)semicarbazide","New Journal of Chemistry","2012","36","12","2562","","10.1039/c2nj40468k","","","0.71073","MoKα","","0.1005","0.0759","","","0.2082","0.2268","","","","","","1.073","","","","has coordinates","301851","2025-08-21","20:32:42",""
"7052952","5.1873","0.0003","9.245","0.0005","25.3594","0.0011","90","","90","","90","","1216.15","0.11","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H12 N4 O -","- C13 H12 N4 O -","- C52 H48 N16 O4 -","4","1","","Lin, Lirong; Fan, Weizhen; Chen, Shui; Ma, Jie; Hu, Wangxia; Lin, Yiji; Zhang, Hui; Huang, Rongbin","Photochromism of (E)-4-phenyl-1-(pyridine-2-ylmethylene)semicarbazide","New Journal of Chemistry","2012","36","12","2562","","10.1039/c2nj40468k","","","0.71073","MoKα","","0.0732","0.0338","","","0.0544","0.062","","","","","","0.816","","","","has coordinates","301851","2025-08-21","20:32:42",""
"7052953","12.3212","0.0007","40.491","0.002","12.8009","0.0007","90","","97.002","0.001","90","","6338.7","0.6","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C67 H90 In N5 O6 -","- C67 H90 In N5 O6 -","- C268 H360 In4 N20 O24 -","4","2","","Ilyakina, Ekaterina V.; Poddel'sky, Andrey I.; Piskunov, Alexandr V.; Fukin, Georgii K.; Bogomyakov, Artem S.; Cherkasov, Vladimir K.; Abakumov, Gleb A.","The interaction of N,N′-bis(2,6-dimethylphenyl)imidazol-2-ylidene with o-benzosemiquinonato zinc(ii) and indium(iii) complexes","New Journal of Chemistry","2012","36","10","1944","","10.1039/c2nj40490g","","","0.71073","MoKα","","0.0727","0.0633","","","0.1562","0.1621","","","","","","1.034","","","","has coordinates","180083","2020-10-21","18:00:00",""
"7052954","12.0425","0.0006","6.0319","0.0003","12.6615","0.0006","90","","106.214","0.005","90","","883.14","0.08","294","2","294","2","","","","","","","","3","P 1 21 1","P 2yb","4","2-(hydroxy(4-methylphenyl)methyl)cyclododecanone","2-[hydroxy(4-methylphenyl)methyl]cyclododecanone","","- C20 H30 O2 -","- C20 H30 O2 -","- C40 H60 O4 -","2","1","","Sathesh, Venkatesan; Umamahesh, Balijapalli; Ramachandran, Gunasekar; Rathore, Ravindranath S.; Sathiyanarayanan, Kulathu Iyer","Direct anti and regio-specific aldol reactions of cyclododecanone catalyzed by alkali metal hydroxides: implications for supramolecular helical design","New Journal of Chemistry","2012","36","11","2292","","10.1039/c2nj40499k","","","0.71073","MoKα","","0.0706","0.0432","","","0.0846","0.0917","","","","","","0.942","","","","has coordinates","301851","2025-08-21","20:32:42",""
"7052955","12.5731","0.0003","5.9925","0.0001","23.9975","0.0005","90","","104.709","0.002","90","","1748.82","0.06","294","2","294","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","2-((4-chlorophenyl)(hydroxy)methyl)cyclododecanone","2-[(4-chlorophenyl)(hydroxy)methyl]cyclododecanone","","- C19 H27 Cl O2 -","- C19 H27 Cl O2 -","- C76 H108 Cl4 O8 -","4","1","","Sathesh, Venkatesan; Umamahesh, Balijapalli; Ramachandran, Gunasekar; Rathore, Ravindranath S.; Sathiyanarayanan, Kulathu Iyer","Direct anti and regio-specific aldol reactions of cyclododecanone catalyzed by alkali metal hydroxides: implications for supramolecular helical design","New Journal of Chemistry","2012","36","11","2292","","10.1039/c2nj40499k","","","0.71073","MoKα","","0.072","0.043","","","0.1124","0.1204","","","","","","1.067","","","","has coordinates","301851","2025-08-21","20:32:42",""
"7052956","12.5505","0.0008","6.0048","0.0005","24.4004","0.0015","90","","104.889","0.007","90","","1777.2","0.2","294","2","294","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2-((4-bromophenyl)(hydroxy)methyl)cyclododecanone","2-[(4-bromophenyl)(hydroxy)methyl]cyclododecanone","","- C19 H27 Br O2 -","- C19 H27 Br O2 -","- C76 H108 Br4 O8 -","4","1","","Sathesh, Venkatesan; Umamahesh, Balijapalli; Ramachandran, Gunasekar; Rathore, Ravindranath S.; Sathiyanarayanan, Kulathu Iyer","Direct anti and regio-specific aldol reactions of cyclododecanone catalyzed by alkali metal hydroxides: implications for supramolecular helical design","New Journal of Chemistry","2012","36","11","2292","","10.1039/c2nj40499k","","","0.71073","MoKα","","0.0788","0.032","","","0.0655","0.0703","","","","","","0.85","","","","has coordinates","301851","2025-08-21","20:32:42",""
"7052957","12.665","0.014","5.829","0.0018","25.713","0.009","90","","100.94","0.05","90","","1864","2","294","2","294","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","2-((4-ethylphenyl)(hydroxy)methyl)cyclododecanone","2-[(4-ethylphenyl)(hydroxy)methyl]cyclododecanone","","- C21 H32 O2 -","- C21 H32 O2 -","- C84 H128 O8 -","4","1","","Sathesh, Venkatesan; Umamahesh, Balijapalli; Ramachandran, Gunasekar; Rathore, Ravindranath S.; Sathiyanarayanan, Kulathu Iyer","Direct anti and regio-specific aldol reactions of cyclododecanone catalyzed by alkali metal hydroxides: implications for supramolecular helical design","New Journal of Chemistry","2012","36","11","2292","","10.1039/c2nj40499k","","","0.71073","MoKα","","0.1003","0.0676","","","0.1733","0.2113","","","","","","1.039","","","","has coordinates","301851","2025-08-21","20:32:42",""
"7052958","8.0433","0.0006","9.0769","0.001","12.4273","0.001","103.78","0.008","92.678","0.006","92.933","0.007","878.4","0.14","294","2","294","2","","","","","","","","4","P -1","-P 1","2","2-(2,4-dichlorobenzylidene)cyclododecanone","2-(2,4-dichlorobenzylidene)cyclododecanone","","- C19 H24 Cl2 O -","- C19 H24 Cl2 O -","- C38 H48 Cl4 O2 -","2","1","","Sathesh, Venkatesan; Umamahesh, Balijapalli; Ramachandran, Gunasekar; Rathore, Ravindranath S.; Sathiyanarayanan, Kulathu Iyer","Direct anti and regio-specific aldol reactions of cyclododecanone catalyzed by alkali metal hydroxides: implications for supramolecular helical design","New Journal of Chemistry","2012","36","11","2292","","10.1039/c2nj40499k","","","0.71073","MoKα","","0.0455","0.0359","","","0.0889","0.0949","","","","","","1.01","","","","has coordinates","301851","2025-08-21","20:32:42",""
"7052959","36.9262","0.0005","36.9262","0.0005","14.7933","0.0008","90","","90","","90","","20171.3","1.2","120","2","120","2","","","","","","","","7","I 41/a :2","-I 4ad","88","","","","- C220 H238 Fe4 N4 O P8 Zn -","- C220 H238 Fe4 N4 O P8 Zn -","- C880 H952 Fe16 N16 O4 P32 Zn4 -","4","0.25","","Drouet, Samuel; Merhi, Areej; Grelaud, Guillaume; Cifuentes, Marie P.; Humphrey, Mark G.; Matczyszyn, Katarzyna; Samoc, Marek; Toupet, Loïc; Paul-Roth, Christine O.; Paul, Frédéric","Enhanced two-photon absorption cross-sections of zinc(II) tetraphenylporphyrins peripherally substituted with d6-metal alkynyl complexes","New Journal of Chemistry","2012","36","11","2192","","10.1039/c2nj40589j","","","0.71073","MoKα","","0.1684","0.1141","","","0.2885","0.3241","","","","","","1.133","","","","has coordinates","180083","2020-10-21","18:00:00",""
"7052960","29.7377","0.0012","9.6031","0.0006","22.5784","0.0009","90","","104.967","0.004","90","","6229.1","0.5","140","1","140","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Y0907","","","- C69 H81 N9 O9 -","- C69 H81 N9 O9 -","- C276 H324 N36 O36 -","4","1","","Jin, Cheng-Cheng; Kinoshita, Takashi; Cong, Hang; Ni, Xin-Long; Zeng, Xi; Hughes, David L.; Redshaw, Carl; Yamato, Takehiko","Synthesis and inclusion properties of C3-symmetric triazole derivatives based on hexahomotrioxacalix[3]arene","New Journal of Chemistry","2012","36","12","2580","","10.1039/c2nj40599g","","","0.71073","Mo-Kα","","0.1263","0.0762","","","0.1252","0.1439","","","","","","1.175","","","","has coordinates","301851","2025-08-21","20:32:42",""
"7052961","11.8572","0.0002","11.8572","0.0002","12.3816","0.0003","90","","90","","90","","1740.77","0.06","150","2","150","2","","","","","","","","5","P 41","P 4w","76","","","","- C20 H20 N P S -","- C20 H20 N P S -","- C80 H80 N4 P4 S4 -","4","1","","Naktode, Kishor; Kottalanka, Ravi K.; Panda, Tarun K.","N-(2,6-Dimethylphenyl)diphenylphosphinamine chalcogenides (S, Se) and a zirconium complex possessing phosphanylamide in the coordination sphere","New Journal of Chemistry","2012","36","11","2280","","10.1039/c2nj40646b","","","1.54184","CuKα","","0.0336","0.0321","","","0.0811","0.0827","","","","","","1.07","","","","has coordinates","301851","2025-08-21","20:32:42",""
"7052962","9.068","0.005","19.055","0.005","20.228","0.005","90","0.005","90","0.005","90","0.005","3495","2","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H20 N O P -","- C20 H20 N O P -","- C160 H160 N8 O8 P8 -","8","2","","Naktode, Kishor; Kottalanka, Ravi K.; Panda, Tarun K.","N-(2,6-Dimethylphenyl)diphenylphosphinamine chalcogenides (S, Se) and a zirconium complex possessing phosphanylamide in the coordination sphere","New Journal of Chemistry","2012","36","11","2280","","10.1039/c2nj40646b","","","0.71069","MoKα","","0.0402","0.0385","","","0.1023","0.1043","","","","","","1.036","","","","has coordinates","301851","2025-08-21","20:32:42",""
"7052963","14.2392","0.0012","14.631","0.0018","18.0321","0.0017","90","","90","","90","","3756.7","0.7","150","2","150","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C176 H180 Cl4 N4 P4 Zr4 -","- C176 H180 Cl4 N4 P4 Zr4 -","- C176 H180 Cl4 N4 P4 Zr4 -","1","0.125","","Naktode, Kishor; Kottalanka, Ravi K.; Panda, Tarun K.","N-(2,6-Dimethylphenyl)diphenylphosphinamine chalcogenides (S, Se) and a zirconium complex possessing phosphanylamide in the coordination sphere","New Journal of Chemistry","2012","36","11","2280","","10.1039/c2nj40646b","","","1.54184","CuKα","","0.0674","0.0509","","","0.1186","0.1304","","","","","","1.047","","","","has coordinates,has disorder","180083","2020-10-21","18:00:00",""
"7052964","11.8869","0.0002","11.8869","0.0002","12.6006","0.0003","90","","90","","90","","1780.44","0.06","150","2","150","2","","","","","","","","5","P 43","P 4cw","78","","","","- C20 H20 N P Se -","- C20 H20 N P Se -","- C80 H80 N4 P4 Se4 -","4","1","","Naktode, Kishor; Kottalanka, Ravi K.; Panda, Tarun K.","N-(2,6-Dimethylphenyl)diphenylphosphinamine chalcogenides (S, Se) and a zirconium complex possessing phosphanylamide in the coordination sphere","New Journal of Chemistry","2012","36","11","2280","","10.1039/c2nj40646b","","","1.54184","CuKα","","0.0296","0.0292","","","0.0783","0.0786","","","","","","1.059","","","","has coordinates","301851","2025-08-21","20:32:42",""
"7052965","13.9583","0.0013","25.467","0.002","15.4276","0.0015","90","","103.572","0.006","90","","5331","0.8","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C40 H44 Cl2 Cu4 N14 O18 S4 -","- C40 H44 Cl2 Cu4 N14 O18 S4 -","- C160 H176 Cl8 Cu16 N56 O72 S16 -","4","0.5","","Li, Xin; Li, Xue-Jie; Li, Yan-Tuan; Wu, Zhi-Yong; Yan, Cui-Wei","Syntheses and structures of tetracopper(ii) complexes with an N-benzoate-N′-[3-(2-hydroxylethylammino)propyl]oxamide ligand: reactivity towards DNA, cytotoxic and antimicrobial activities","New Journal of Chemistry","2012","36","12","2472","","10.1039/c2nj40682a","","","0.71073","MoKα","","0.0605","0.0398","","","0.1056","0.1163","","","","","","1.022","","","","has coordinates","301851","2025-08-21","20:32:42",""
"7052966","11.8016","0.0015","11.884","0.0014","12.652","0.003","103.236","0.003","101.213","0.003","117.145","0.002","1442.6","0.4","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C22 H26 Cl Cu2 N5 O10 S2 -","- C22 H26 Cl Cu2 N5 O10 S2 -","- C44 H52 Cl2 Cu4 N10 O20 S4 -","2","1","","Li, Xin; Li, Xue-Jie; Li, Yan-Tuan; Wu, Zhi-Yong; Yan, Cui-Wei","Syntheses and structures of tetracopper(ii) complexes with an N-benzoate-N′-[3-(2-hydroxylethylammino)propyl]oxamide ligand: reactivity towards DNA, cytotoxic and antimicrobial activities","New Journal of Chemistry","2012","36","12","2472","","10.1039/c2nj40682a","","","0.71073","MoKα","","0.1297","0.0599","","","0.1233","0.1525","","","","","","0.995","","","","has coordinates,has disorder","301851","2025-08-21","20:32:42",""
"7052967","7.0325","0.0017","9.919","0.0012","12.475","0.0006","90","","90","","90","","870.2","0.2","291","2","291","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C4 H6 N10 -","- C4 H6 N10 -","- C16 H24 N40 -","4","1","","Tang, Yongxing; Yang, Hongwei; Shen, Jianhua; Wu, Bo; Ju, Xuehai; Lu, Chunxu; Cheng, Guangbin","Synthesis and characterization of 1,1′-azobis(5-methyltetrazole)","New Journal of Chemistry","2012","36","12","2447","","10.1039/c2nj40731k","","","0.71073","MoKα","","0.032","0.031","","","0.0745","0.0751","","","","","","1.049","","","","has coordinates","301851","2025-08-21","20:32:42",""
"7052968","11.336","0.003","10.813","0.003","16.926","0.005","90","","129.643","0.006","90","","1597.6","0.8","153","2","153","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H24 N2 O5 -","- C16 H24 N2 O5 -","- C64 H96 N8 O20 -","4","1","","Sleem, Hisham Fathy; Dawe, Louise Nicole; Georghiou, Paris Elias","A tetraamido isophthaloyl-based macrocyclic calcium chloride and strontium chloride tritopic receptor","New Journal of Chemistry","2012","36","12","2451","","10.1039/c2nj40751e","","","0.71075","MoKα","","0.0393","0.0389","","","0.0988","0.0992","","","","","","1.064","","","","has coordinates","301851","2025-08-21","20:32:42",""
"7052969","5.0083","0.0018","9.048","0.003","17.725","0.006","85.179","0.008","82.023","0.009","75.645","0.009","769.6","0.5","163","2","163","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H44 N4 O8 -","- C32 H44 N4 O8 -","- C32 H44 N4 O8 -","1","0.5","","Sleem, Hisham Fathy; Dawe, Louise Nicole; Georghiou, Paris Elias","A tetraamido isophthaloyl-based macrocyclic calcium chloride and strontium chloride tritopic receptor","New Journal of Chemistry","2012","36","12","2451","","10.1039/c2nj40751e","","","0.71075","MoKα","","0.2347","0.1365","","","0.2533","0.3084","","","","","","1.107","","","","has coordinates","180083","2020-10-21","18:00:00",""
"7054085","18.489","0.0008","39.5013","0.0017","47.111","0.002","90","","96.154","0.001","90","","34209","3","113","2","113","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C234 H153 Br9 F162 Gd9 N18 O72 S9 -","- C234 H153 Br9 F162 Gd9 N18 O72 S9 -","- C936 H612 Br36 F648 Gd36 N72 O288 S36 -","4","1","","Liu, Ruina; Zhang, Congming; Mei, Xuelan; Hu, Peng; Tian, Haixia; Li, Licun; Liao, Daizheng; Sutter, Jean-Pascal","Slow magnetic relaxation and antiferromagnetic ordering in a one dimensional nitronyl nitroxide‒Tb(iii) chain","New Journal of Chemistry","2012","36","10","2088","","10.1039/c2nj40570a","","","0.71073","MoKα","","0.2162","0.1034","","","0.2241","0.313","","","","","","1.041","","","","has coordinates,has disorder","180094","2020-10-21","18:00:00",""
"7054086","18.476","0.004","39.497","0.008","47.072","0.009","90","","96.06","0.03","90","","34159","12","113","2","113","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C234 H153 Br9 F162 N18 O72 S9 Tb9 -","- C234 H153 Br9 F162 N18 O72 S9 Tb9 -","- C936 H612 Br36 F648 N72 O288 S36 Tb36 -","4","1","","Liu, Ruina; Zhang, Congming; Mei, Xuelan; Hu, Peng; Tian, Haixia; Li, Licun; Liao, Daizheng; Sutter, Jean-Pascal","Slow magnetic relaxation and antiferromagnetic ordering in a one dimensional nitronyl nitroxide‒Tb(iii) chain","New Journal of Chemistry","2012","36","10","2088","","10.1039/c2nj40570a","","","0.71073","MoKα","","0.1428","0.0901","","","0.2107","0.2571","","","","","","1.019","","","","has coordinates,has disorder","180094","2020-10-21","18:00:00",""
"7054087","10.2352","0.0002","11.7803","0.0002","12.9715","0.0002","79.119","0.001","71.609","0.001","64.342","0.001","1335.31","0.04","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H26 Cl Cu2 N5 O10 -","- C23 H26 Cl Cu2 N5 O10 -","- C46 H52 Cl2 Cu4 N10 O20 -","2","1","","He, Fang-Hong; Tao, Lin; Li, Xiao-Wen; Li, Yan-Tuan; Wu, Zhi-Yong; Yan, Cui-Wei","Syntheses and structures of new dicopper(ii) complexes bridged by N-(2-hydroxyphenyl)-N′-(3-aminopropyl)oxamide: DNA-binding properties and cytotoxic activities","New Journal of Chemistry","2012","36","10","2078","","10.1039/c2nj40397h","","","0.71073","MoKα","","0.0698","0.0446","","","0.1094","0.1237","","","","","","1.035","","","","has coordinates,has disorder","301851","2025-08-21","20:32:46",""
"7054088","9.876","0.004","11.21","0.004","11.834","0.005","92.41","0.007","110.147","0.007","95.229","0.007","1221.1","0.8","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H26 Cu2 N6 O7 -","- C23 H26 Cu2 N6 O7 -","- C46 H52 Cu4 N12 O14 -","2","1","","He, Fang-Hong; Tao, Lin; Li, Xiao-Wen; Li, Yan-Tuan; Wu, Zhi-Yong; Yan, Cui-Wei","Syntheses and structures of new dicopper(ii) complexes bridged by N-(2-hydroxyphenyl)-N′-(3-aminopropyl)oxamide: DNA-binding properties and cytotoxic activities","New Journal of Chemistry","2012","36","10","2078","","10.1039/c2nj40397h","","","0.71073","MoKα","","0.0817","0.0443","","","0.0885","0.1021","","","","","","1.012","","","","has coordinates","301851","2025-08-21","20:32:46",""
"7054089","23.6799","0.0004","9.7018","0.0002","10.2777","0.0001","90","","90","","90","","2361.17","0.07","296","2","296","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C21 H24 Cu2 N6 O8 -","- C21 H24 Cu2 N6 O8 -","- C84 H96 Cu8 N24 O32 -","4","1","","He, Fang-Hong; Tao, Lin; Li, Xiao-Wen; Li, Yan-Tuan; Wu, Zhi-Yong; Yan, Cui-Wei","Syntheses and structures of new dicopper(ii) complexes bridged by N-(2-hydroxyphenyl)-N′-(3-aminopropyl)oxamide: DNA-binding properties and cytotoxic activities","New Journal of Chemistry","2012","36","10","2078","","10.1039/c2nj40397h","","","0.71073","MoKα","","0.0558","0.0372","","","0.0786","0.087","","","","","","1.026","","","","has coordinates","301851","2025-08-21","20:32:46",""
"7054090","10.459","0.003","11.329","0.003","17.261","0.004","78.15","0.02","84","0.02","85.35","0.02","1987","0.9","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C30 H44 Co N4 O8 P2 S4 -","- C29.999 H44 Co N4 O8 P2 S4 -","- C59.998 H88 Co2 N8 O16 P4 S8 -","2","1","","Babashkina, Maria G.; Safin, Damir A.; Railliet, Antoine P.; Bolte, Michael; Brzuszkiewicz, Anna; Kozlowski, Henryk; Garcia, Yann","Spin-canted ferromagnetic behaviour and unusual thermal decomposition of [Co{MeO(O)CC6H4NHC(S)NP(S)(OiPr)2}2]","New Journal of Chemistry","2012","36","12","2642","","10.1039/c2nj40868f","","","0.71073","MoKα","","0.0335","0.0289","","","0.0775","0.0792","","","","","","1.08","","","","has coordinates,has disorder","180094","2020-10-21","18:00:00",""
"7054091","10.4743","0.0008","11.3943","0.0009","17.3391","0.0014","78.149","0.006","84.676","0.006","85.234","0.006","2012.2","0.3","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C30 H44 Co N4 O8 P2 S4 -","- C30 H44 Co N4 O8 P2 S4 -","- C60 H88 Co2 N8 O16 P4 S8 -","2","1","","Babashkina, Maria G.; Safin, Damir A.; Railliet, Antoine P.; Bolte, Michael; Brzuszkiewicz, Anna; Kozlowski, Henryk; Garcia, Yann","Spin-canted ferromagnetic behaviour and unusual thermal decomposition of [Co{MeO(O)CC6H4NHC(S)NP(S)(OiPr)2}2]","New Journal of Chemistry","2012","36","12","2642","","10.1039/c2nj40868f","","","0.71073","MoKα","","0.0674","0.0554","","","0.1428","0.1492","","","","","","0.983","","","","has coordinates","180094","2020-10-21","18:00:00",""
"7054092","13.8833","0.0003","33.8521","0.0009","19.152","0.0004","90","","94.9954","0.0012","90","","8966.8","0.4","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C92 H88 Cl4 Cu2 N12 O22 -","- C92 H88 Cl4 Cu2 N12 O22 -","- C368 H352 Cl16 Cu8 N48 O88 -","4","1","","Wang, Wen-Zhen; Hsieh, Chang-Lin; Ismayilov, Rayyat H.; Hsu, Chia-Hung; Liu, Isiah Po-Chun; Liu, Yi-Hung; Lee, Gene-Hsiang; Peng, Shie-Ming","Transition metal complexes of a super rigid anthyridine ligand: structural, magnetic and DFT studies","New Journal of Chemistry","2012","36","11","2340","","10.1039/c2nj40452d","","","0.71073","MoKα","","0.1969","0.0774","","","0.22","0.2667","","","","","","1.044","","","","has coordinates","301851","2025-08-21","20:32:46",""
"7054093","13.4297","0.0002","35.6133","0.0005","19.3597","0.0003","90","","99.9636","0.0007","90","","9119.6","0.2","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C82.27 H63.1 Cl4 N14.42 Ni2 O20.5 -","- C82.269 H56.961 Cl4 N14.423 Ni2 O20.5 -","- C329.076 H227.844 Cl16 N57.692 Ni8 O82 -","4","1","","Wang, Wen-Zhen; Hsieh, Chang-Lin; Ismayilov, Rayyat H.; Hsu, Chia-Hung; Liu, Isiah Po-Chun; Liu, Yi-Hung; Lee, Gene-Hsiang; Peng, Shie-Ming","Transition metal complexes of a super rigid anthyridine ligand: structural, magnetic and DFT studies","New Journal of Chemistry","2012","36","11","2340","","10.1039/c2nj40452d","","","0.71073","MoKα","","0.1688","0.1084","","","0.2906","0.3155","","","","","","1.248","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7054094","13.6511","0.0002","70.3157","0.0011","18.977","0.0004","90","","99.703","0.002","90","","17955.2","0.6","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C87 H64.5 Cl4 Co2 N15.5 O17.5 -","- C87 H64.5 Cl4 Co2 N15.5 O17.5 -","- C696 H516 Cl32 Co16 N124 O140 -","8","2","","Wang, Wen-Zhen; Hsieh, Chang-Lin; Ismayilov, Rayyat H.; Hsu, Chia-Hung; Liu, Isiah Po-Chun; Liu, Yi-Hung; Lee, Gene-Hsiang; Peng, Shie-Ming","Transition metal complexes of a super rigid anthyridine ligand: structural, magnetic and DFT studies","New Journal of Chemistry","2012","36","11","2340","","10.1039/c2nj40452d","","","1.54178","CuKα","","0.2003","0.1398","","","0.3507","0.3707","","","","","","1.502","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7054095","13.6133","0.0003","69.9138","0.0014","19.1264","0.0005","90","","99.834","0.002","90","","17936.2","0.7","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C177 H133.5 Cl8 N32.5 O34 Zn4 -","- C177 H133.5 Cl8 N32.5 O34 Zn4 -","- C708 H534 Cl32 N130 O136 Zn16 -","4","1","","Wang, Wen-Zhen; Hsieh, Chang-Lin; Ismayilov, Rayyat H.; Hsu, Chia-Hung; Liu, Isiah Po-Chun; Liu, Yi-Hung; Lee, Gene-Hsiang; Peng, Shie-Ming","Transition metal complexes of a super rigid anthyridine ligand: structural, magnetic and DFT studies","New Journal of Chemistry","2012","36","11","2340","","10.1039/c2nj40452d","","","1.54178","CuKα","","0.1583","0.1237","","","0.304","0.3157","","","","","","1.831","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7054096","13.6597","0.0004","70.1804","0.0014","19.0319","0.0005","90","","100.028","0.003","90","","17966.1","0.8","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C87 H62.5 Cl4 Fe2 N16.5 O16.5 -","- C87 H62.5 Cl4 Fe2 N16.5 O16.5 -","- C696 H500 Cl32 Fe16 N132 O132 -","8","2","","Wang, Wen-Zhen; Hsieh, Chang-Lin; Ismayilov, Rayyat H.; Hsu, Chia-Hung; Liu, Isiah Po-Chun; Liu, Yi-Hung; Lee, Gene-Hsiang; Peng, Shie-Ming","Transition metal complexes of a super rigid anthyridine ligand: structural, magnetic and DFT studies","New Journal of Chemistry","2012","36","11","2340","","10.1039/c2nj40452d","","","1.54178","CuKα","","0.187","0.1002","","","0.2382","0.2711","","","","","","1.117","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7054097","5.2025","0.0003","17.5718","0.0014","20.0241","0.0013","90","","90","","90","","1830.5","0.2","120","2","120","2","","","","","","","","4","P 2 21 21","P 2bc 2","18","","","","- C39 H42 N2 O12 -","- C39 H42 N2 O12 -","- C78 H84 N4 O24 -","2","0.5","","Baghel, Garima Singh; Chinta, Jugun Prakash; Rao, Chebrolu P.","Synthesis, characterization of the amido-conjugates of 1,1′-methylene-bis(2-naphthol) and recognition of Cu2+ in aqueous acetonitrile","New Journal of Chemistry","2012","36","11","2397","","10.1039/c2nj40409e","","","0.71073","MoKα","","0.0669","0.0446","","","0.0883","0.0959","","","","","","0.993","","","","has coordinates","180094","2020-10-21","18:00:00",""
"7054098","17.022","0.003","27.254","0.006","26.995","0.005","90","","93.55","0.03","90","","12499","4","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C119 H91 Cl2 N14 O7 Y3 -","- C119 H91 Cl2 N14 O7 Y3 -","- C476 H364 Cl8 N56 O28 Y12 -","4","1","","Zhang, Wenjuan; Liu, Shaofeng; Sun, Wen-Hua; Hao, Xiang; Redshaw, Carl","Trimetallic yttrium N-(2-methylquinolin-8-yl)benzamides: synthesis, structure and use in ring-opening polymerization (ROP) of ε-caprolactone","New Journal of Chemistry","2012","36","11","2392","","10.1039/c2nj40711f","","","0.71073","MoKα","","0.1553","0.1144","","","0.2674","0.2917","","","","","","1.138","","","","has coordinates","180094","2020-10-21","18:00:00",""
"7054099","15.229","0.004","16.593","0.004","16.934","0.004","90","","94.428","0.006","90","","4266.4","1.8","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C52 H80 Cd4 F24 N4 O37 Ti4 -","- C52 H80 Cd4 F24 N4 O37 Ti4 -","- C104 H160 Cd8 F48 N8 O74 Ti8 -","2","0.5","","Abu Bakar, Shahzad; Tajammul Hussain, Syed; Mazhar, Muhammad","CdTiO3 thin films from an octa-nuclear bimetallic single source precursor by aerosol assisted chemical vapor deposition (AACVD)","New Journal of Chemistry","2012","36","9","1844","","10.1039/c2nj40275k","","","0.71073","MoKα","","0.0805","0.0518","","","0.1346","0.1574","","","","","","1.043","","","","has coordinates,has disorder","180094","2020-10-21","18:00:00",""
"7054100","35.671","0.0009","10.436","0.0003","24.934","0.0008","90","","116.437","0.001","90","","8311.3","0.4","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C36.75 H58.75 Al N2 O2 -","- C36 H56.9999 Al N2 O2 -","- C288 H455.999 Al8 N16 O16 -","8","1","","Hancock, Stuart L.; Jones, Matthew D.; Langridge, Conrad J.; Mahon, Mary F.","Al(iii)‒homopiperazine complexes and their exploitation for the production of polyesters","New Journal of Chemistry","2012","36","9","1891","","10.1039/c2nj40300e","","","0.71073","MoKα","","0.1319","0.1196","","","0.3258","0.335","","","","","","1.09","","","","has coordinates,has disorder","180095","2020-10-21","18:00:00",""
"7054101","14.781","0.0002","15.101","0.0002","29.119","0.0004","90","","90","","90","","6499.59","0.15","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C33.5 H49 Al N2 O2 -","- C33.5 H49 Al N2 O2 -","- C268 H392 Al8 N16 O16 -","8","2","","Hancock, Stuart L.; Jones, Matthew D.; Langridge, Conrad J.; Mahon, Mary F.","Al(iii)‒homopiperazine complexes and their exploitation for the production of polyesters","New Journal of Chemistry","2012","36","9","1891","","10.1039/c2nj40300e","","","0.71073","MoKα","","0.0676","0.0619","","","0.1606","0.1651","","","","","","1.091","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7054102","32.935","0.003","7.056","0.001","31.375","0.004","90","","114.289","0.005","90","","6645.8","1.4","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C35 H49 Al N2 O2 -","- C35 H48.5 Al N2 O2 -","- C280 H388 Al8 N16 O16 -","8","1","","Hancock, Stuart L.; Jones, Matthew D.; Langridge, Conrad J.; Mahon, Mary F.","Al(iii)‒homopiperazine complexes and their exploitation for the production of polyesters","New Journal of Chemistry","2012","36","9","1891","","10.1039/c2nj40300e","","","0.71073","MoKα","","0.1818","0.1154","","","0.2713","0.3088","","","","","","1.077","","","","has coordinates,has disorder","180095","2020-10-21","18:00:00",""
"7054103","6.5494","0.0013","9.196","0.0018","23.512","0.005","90","","90.39","0.03","90","","1416.1","0.5","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H12 N4 O6 -","- C13 H12 N4 O6 -","- C52 H48 N16 O24 -","4","1","","Ding, Xue-Hua; Cui, Lin-Fang; Li, Yong-Hua; Wang, Shi; Huang, Wei","Proton-transfer supramolecular salts resulting from 3,5-dinitrobenzoic acid and aminomethyl pyridine","New Journal of Chemistry","2012","36","9","1884","","10.1039/c2nj40252a","","","0.71073","MoKα","","0.0781","0.0549","","","0.1351","0.1482","","","","","","1.092","","","","has coordinates","301851","2025-08-21","20:32:46",""
"7054104","7.4234","0.0015","11.738","0.002","17.698","0.004","102.99","0.03","100.52","0.03","101.26","0.03","1431.8","0.6","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H24 N8 O12 -","- C26 H24 N8 O12 -","- C52 H48 N16 O24 -","2","1","","Ding, Xue-Hua; Cui, Lin-Fang; Li, Yong-Hua; Wang, Shi; Huang, Wei","Proton-transfer supramolecular salts resulting from 3,5-dinitrobenzoic acid and aminomethyl pyridine","New Journal of Chemistry","2012","36","9","1884","","10.1039/c2nj40252a","","","0.71073","MoKα","","0.1177","0.0616","","","0.1385","0.1671","","","","","","1.032","","","","has coordinates","301851","2025-08-21","20:32:46",""
"7054105","6.877","0.0014","9.2116","0.0018","22.056","0.004","90","","90","","90","","1397.2","0.5","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H12 N4 O6 -","- C13 H12 N4 O6 -","- C52 H48 N16 O24 -","4","1","","Ding, Xue-Hua; Cui, Lin-Fang; Li, Yong-Hua; Wang, Shi; Huang, Wei","Proton-transfer supramolecular salts resulting from 3,5-dinitrobenzoic acid and aminomethyl pyridine","New Journal of Chemistry","2012","36","9","1884","","10.1039/c2nj40252a","","","0.71073","MoKα","","0.0456","0.0388","","","0.0881","0.0915","","","","","","1.083","","","","has coordinates","301851","2025-08-21","20:32:46",""