# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2025-12-29T07:26:16+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 J. Chem.') AND volume = 41 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
"1544795","6.9126","0.0014","7.6578","0.0015","31.895","0.006","90","","92.22","0.03","90","","1687.1","0.6","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","cis-dioxo(2-(N-(salicylidene)amino)-4-methylphenolato-N,O,O')-(methanol)-molybdenum(VI)","","","- C16 H19 Mo N O6 -","- C16 H19 Mo N O6 -","- C64 H76 Mo4 N4 O24 -","4","1","","Cindrić, Marina; Pavlović, Gordana; Katava, Robert; Agustin, Dominique","Towards a global greener process: from solvent-less synthesis of molybdenum(vi) ONO Schiff base complexes to catalyzed olefin epoxidation under organic-solvent-free conditions","New J. Chem.","2017","41","2","594","","10.1039/C6NJ03174A","","","0.71073","MoKα","","0.0486","0.0321","","","0.0645","0.0699","","","","","","1.045","","","","has coordinates,has disorder","191701","2020-10-21","18:00:00",""
"1544796","8.7538","0.0005","10.0269","0.0005","10.7193","0.0006","97.063","0.004","111.466","0.005","95.831","0.004","857.95","0.09","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","cis-dioxo(2-(N-(salicylidene)amino)-5-methylphenolato-N,O,O')-(methanol)-molybdenum(VI)","","- C16 H19 Mo N O6 -","- C16 H19 Mo N O6 -","- C32 H38 Mo2 N2 O12 -","2","1","","Cindrić, Marina; Pavlović, Gordana; Katava, Robert; Agustin, Dominique","Towards a global greener process: from solvent-less synthesis of molybdenum(vi) ONO Schiff base complexes to catalyzed olefin epoxidation under organic-solvent-free conditions","New J. Chem.","2017","41","2","594","","10.1039/C6NJ03174A","","","0.71073","MoKα","","0.0414","0.0281","","","0.0574","0.0593","","","","","","0.924","","","","has coordinates","301779","2025-08-18","16:06:49",""
"1544797","19.61","0.0007","7.5974","0.0004","12.7835","0.0005","90","","102.179","0.004","90","","1861.68","0.14","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","cis-dioxo(2-(N-(3-methoxysalicyliden)amino)-5-methylphenolato-N,O,O')-(methanol)-molybdenum(VI)","","- C17 H21 Mo N O7 -","- C17 H21 Mo N O7 -","- C68 H84 Mo4 N4 O28 -","4","1","","Cindrić, Marina; Pavlović, Gordana; Katava, Robert; Agustin, Dominique","Towards a global greener process: from solvent-less synthesis of molybdenum(vi) ONO Schiff base complexes to catalyzed olefin epoxidation under organic-solvent-free conditions","New J. Chem.","2017","41","2","594","","10.1039/C6NJ03174A","","","0.71073","MoKα","","0.0504","0.0303","","","0.0709","0.0744","","","","","","0.894","","","","has coordinates","301779","2025-08-18","16:06:49",""
"1544798","7.6444","0.0005","9.9107","0.0005","11.0535","0.0006","72.13","0.005","82.196","0.005","88.111","0.005","789.61","0.08","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","cis-dioxo(2-(N-(2-oxonapht-1-yl)methylamino)phenolato-N,O,O')-(methanol)-molybdenum(VI)","","- C18 H15 Mo N O5 -","- C18 H15 Mo N O5 -","- C36 H30 Mo2 N2 O10 -","2","1","","Cindrić, Marina; Pavlović, Gordana; Katava, Robert; Agustin, Dominique","Towards a global greener process: from solvent-less synthesis of molybdenum(vi) ONO Schiff base complexes to catalyzed olefin epoxidation under organic-solvent-free conditions","New J. Chem.","2017","41","2","594","","10.1039/C6NJ03174A","","","0.71073","MoKα","","0.0278","0.0229","","","0.0643","0.0653","","","","","","1.052","","","","has coordinates","301779","2025-08-18","16:06:49",""
"1544799","7.9476","0.0013","14.9809","0.0014","16.765","0.003","90","","96.268","0.019","90","","1984.1","0.5","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","cis-dioxo(2-(N-(2-oxonapht-1-yl)methylamino)-5-methylphenolato-N,O,O')-(methanol)-molybdenum(VI)","","- C20 H21 Mo N O6 -","- C20 H21 Mo N O6 -","- C80 H84 Mo4 N4 O24 -","4","1","","Cindrić, Marina; Pavlović, Gordana; Katava, Robert; Agustin, Dominique","Towards a global greener process: from solvent-less synthesis of molybdenum(vi) ONO Schiff base complexes to catalyzed olefin epoxidation under organic-solvent-free conditions","New J. Chem.","2017","41","2","594","","10.1039/C6NJ03174A","","","0.71073","MoKα","","0.0841","0.0393","","","0.0738","0.0811","","","","","","0.85","","","","has coordinates","301779","2025-08-18","16:06:49",""
"1545613","9.1117","0.0018","11.229","0.002","12.539","0.003","95.86","0.03","103.5","0.03","102.41","0.03","1202.6","0.5","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H26 N P Pt -","- C29 H26 N P Pt -","- C58 H52 N2 P2 Pt2 -","2","1","","Shahsavari, Hamid R.; Babadi Aghakhanpour, Reza; Babaghasabha, Mojgan; Golbon Haghighi, Mohsen; Nabavizadeh, S. Masoud; Notash, Behrouz","Photophysical properties of a series of cycloplatinated( <scp>ii</scp> ) complexes featuring allyldiphenylphosphane","New Journal of Chemistry","2017","41","10","3798","3810","10.1039/C7NJ00055C","","","0.71073","MoKα","","0.0546","0.0424","","","0.0952","0.0982","","","","","","0.952","","","","has coordinates","282777","2023-04-20","11:56:45",""
"1545614","9.759","0.002","10.351","0.002","23.222","0.005","90","","100.86","0.03","90","","2303.8","0.8","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H26 N P Pt -","- C27 H26 N P Pt -","- C108 H104 N4 P4 Pt4 -","4","1","","Shahsavari, Hamid R.; Babadi Aghakhanpour, Reza; Babaghasabha, Mojgan; Golbon Haghighi, Mohsen; Nabavizadeh, S. Masoud; Notash, Behrouz","Photophysical properties of a series of cycloplatinated( <scp>ii</scp> ) complexes featuring allyldiphenylphosphane","New Journal of Chemistry","2017","41","10","3798","3810","10.1039/C7NJ00055C","","","0.71073","MoKα","","0.0777","0.0458","","","0.0987","0.1159","","","","","","0.926","","","","has coordinates","282777","2023-04-20","11:56:45",""
"1545615","9.6029","0.0019","13.097","0.003","19.63","0.004","90","","100.17","0.03","90","","2430.1","0.9","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H26 N P Pt -","- C30 H26 N P Pt -","- C120 H104 N4 P4 Pt4 -","4","1","","Shahsavari, Hamid R.; Babadi Aghakhanpour, Reza; Babaghasabha, Mojgan; Golbon Haghighi, Mohsen; Nabavizadeh, S. Masoud; Notash, Behrouz","Photophysical properties of a series of cycloplatinated( <scp>ii</scp> ) complexes featuring allyldiphenylphosphane","New Journal of Chemistry","2017","41","10","3798","3810","10.1039/C7NJ00055C","","","0.71073","MoKα","","0.073","0.0397","","","0.0828","0.0952","","","","","","0.869","","","","has coordinates","282777","2023-04-20","11:56:45",""
"1545616","7.615","0.006","9.703","0.007","52","0.03","90","","90","","90","","3842","5","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C42 H44 Fe2 N4 O2 S2 -","- C42 H44 Fe2 N4 O2 S2 -","- C168 H176 Fe8 N16 O8 S8 -","4","1","","Duan, Xin-E; Li, Rui; Tong, Hong-Bo; Li, Ying-Qi; Bai, Sheng-Di; Guo, Yu-Jing; Liu, Dian-Sheng","Synthesis and structural characterization of electrochemically reversible bisferrocenes containing bis(acyl-thiourea)s: enantiomers and conformers","New J. Chem.","2017","41","9","3333","","10.1039/C6NJ03539F","","","0.71073","MoKα","","0.0632","0.058","","","0.1338","0.137","","","","","","1.115","","","","has coordinates","196499","2020-10-21","18:00:00",""
"1545617","9.707","0.002","14.545","0.003","20.921","0.004","90","","90","","90","","2953.8","1","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C30 H32 Fe2 N4 O2 S2 -","- C30 H32 Fe2 N4 O2 S2 -","- C120 H128 Fe8 N16 O8 S8 -","4","1","","Duan, Xin-E; Li, Rui; Tong, Hong-Bo; Li, Ying-Qi; Bai, Sheng-Di; Guo, Yu-Jing; Liu, Dian-Sheng","Synthesis and structural characterization of electrochemically reversible bisferrocenes containing bis(acyl-thiourea)s: enantiomers and conformers","New J. Chem.","2017","41","9","3333","","10.1039/C6NJ03539F","","","0.71073","MoKα","","0.0333","0.0263","","","0.0537","0.0563","","","","","","1.02","","","","has coordinates","196499","2020-10-21","18:00:00",""
"1545618","9.7134","0.0008","14.5357","0.0012","20.8935","0.0017","90","","90","","90","","2950","0.4","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C30 H32 Fe2 N4 O2 S2 -","- C30 H32 Fe2 N4 O2 S2 -","- C120 H128 Fe8 N16 O8 S8 -","4","1","","Duan, Xin-E; Li, Rui; Tong, Hong-Bo; Li, Ying-Qi; Bai, Sheng-Di; Guo, Yu-Jing; Liu, Dian-Sheng","Synthesis and structural characterization of electrochemically reversible bisferrocenes containing bis(acyl-thiourea)s: enantiomers and conformers","New J. Chem.","2017","41","9","3333","","10.1039/C6NJ03539F","","","0.71073","MoKα","","0.0487","0.0331","","","0.0592","0.0647","","","","","","1.024","","","","has coordinates","196499","2020-10-21","18:00:00",""
"1546373","7.99","0.003","12.475","0.004","14.539","0.005","94.821","0.01","94.404","0.009","108.372","0.009","1362.3","0.8","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C34 H31 N4 O3 -","- C34 H31 N4 O3 -","- C68 H62 N8 O6 -","2","1","","Coman, Anca G.; Paraschivescu, Codruta C.; Paun, Anca; Diac, Andreea; Hădade, Niculina D.; Jouffret, Laurent; Gautier, Arnaud; Matache, Mihaela; Ionita, Petre","Synthesis of novel profluorescent nitroxides as dual luminescent-paramagnetic active probes","New Journal of Chemistry","2017","41","15","7472","7480","10.1039/C7NJ01698K","","","0.71073","MoKα","","0.0796","0.0437","","","0.0994","0.1163","","","","","","1.017","","","","has coordinates","282777","2023-04-20","11:56:46",""
"1546581","10.256","0.008","10.256","0.008","13.16","0.01","90","","90","","90","","1384.2","1.9","113","2","113","2","","","","","","","","5","I -4","I -4","82","","","","- C28 H16 N10 Ni S4 -","- C28 H16 N10 Ni S4 -","- C56 H32 N20 Ni2 S8 -","2","0.25","","Xue, Dan; Luo, Su-Ping; Zhan, Shu-Zhong","A coordinatively saturated nickel complex supported by triazenido ligands: a new electrocatalyst for hydrogen generation via ligand-centered proton-transfer","New Journal of Chemistry","2017","41","16","8503","8508","10.1039/C7NJ01705G","","","0.71073","MoKα","","0.0713","0.0678","","","0.1619","0.1654","","","","","","1.031","","","","has coordinates","282777","2023-04-20","11:56:47",""
"7055835","4.7366","0.0004","11.1769","0.001","18.966","0.0018","90","","97.015","0.002","90","","996.55","0.15","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-cyano-N'-[(1E)-(4-hydroxyphenyl)methylidene]acetohydrazide","","- C10 H9 N3 O2 -","- C10 H9 N3 O2 -","- C40 H36 N12 O8 -","4","1","","Zhang, Zhenfeng; Wang, Li; Xuan, Xiaopeng","The CN⋯C–X σ-hole interaction acts as a conformational lock","New J. Chem.","2017","41","1","42","","10.1039/C6NJ02622B","","","0.71073","MoKα","","0.0538","0.0345","","","0.076","0.0866","","","","","","1.006","","","","has coordinates","301851","2025-08-21","20:32:54",""
"7055836","4.5944","0.0003","9.3525","0.0004","22.972","0.003","90","","94.883","0.002","90","","983.5","0.15","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H9 N3 O2 -","- C10 H9 N3 O2 -","- C40 H36 N12 O8 -","4","1","","Zhang, Zhenfeng; Wang, Li; Xuan, Xiaopeng","The CN⋯C–X σ-hole interaction acts as a conformational lock","New J. Chem.","2017","41","1","42","","10.1039/C6NJ02622B","","","0.71073","MoKα","","0.0937","0.0515","","","0.1314","0.154","","","","","","1.025","","","","has coordinates","301851","2025-08-21","20:32:54",""
"7055860","6.3722","0.0018","11.278","0.003","17.837","0.005","90","","90","","90","","1281.9","0.6","110.15","","110.15","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","imidazole derivative","imidozolyl thiozole","","- C16 H9 F N2 O S -","- C16 H9 F N2 O S -","- C64 H36 F4 N8 O4 S4 -","4","1","","Ambethkar, Sethurajan; Vellimalai, Muthalu; Padmini, Vediappen; Bhuvanesh, Nattamai","Iodine-mediated C–N and C–S bond formation: regioselective synthesis of benzo[4,5]imidazo[2,1-b]thiazoles","New J. Chem.","2017","41","1","75","","10.1039/C6NJ02102F","","","0.71073","MoKα","","0.042","0.0362","","","0.0737","0.077","","","","","","1.044","","","","has coordinates","301851","2025-08-21","20:32:54",""
"7055861","9.94","0.003","12.584","0.004","11.973","0.004","90","","112.959","0.003","90","","1379","0.8","110.15","","110.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","imidazole derivative","imidazolyl thiozole","","- C17 H12 N2 O S -","- C17 H12 N2 O S -","- C68 H48 N8 O4 S4 -","4","1","","Ambethkar, Sethurajan; Vellimalai, Muthalu; Padmini, Vediappen; Bhuvanesh, Nattamai","Iodine-mediated C–N and C–S bond formation: regioselective synthesis of benzo[4,5]imidazo[2,1-b]thiazoles","New J. Chem.","2017","41","1","75","","10.1039/C6NJ02102F","","","0.71073","MoKα","","0.0524","0.0389","","","0.0837","0.0905","","","","","","1.036","","","","has coordinates","301851","2025-08-21","20:32:54",""
"7055862","17.72","0.004","9.681","0.002","27.874","0.006","90","","107.915","0.002","90","","4549.9","1.7","90","2","90","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H26 Br N3 O4 -","- C25 H26 Br N3 O4 -","- C200 H208 Br8 N24 O32 -","8","2","","VenkataPrasad, Jalli; Krishnamurthy, Suvratha; Moriguchi, Tetsuji; Tsuge, Akihiko","Efficient synthesis of novel pyrrolo[2,3-c]pyridone derivatives using the Ugi four-component reaction followed by condensation reaction","New J. Chem.","2017","41","1","97","","10.1039/C6NJ02569B","","","0.71073","MoKα","","0.1273","0.0774","","","0.1424","0.1672","","","","","","1.155","","","","has coordinates","301851","2025-08-21","20:32:54",""
"7055864","7.8845","0.0003","11.9643","0.0004","14.9423","0.0004","102.268","0.002","101.916","0.002","95.003","0.003","1334.95","0.08","93","","93.15","","","","","","","","","5","P -1","-P 1","2","","1-((1-(4-bromophenyl)-1H-1,2,3-triazol-4-yl)methyl)-N-3-diphenyl-6,7-dihydro-1H-pyrazolo[4,3-c]pyridine-5(4H)-carboxamide","","- C29 H28 Br N7 O2 -","- C29 H28 Br N7 O2 -","- C58 H56 Br2 N14 O4 -","2","1","","Amaroju, Suresh; Kalaga, Mahalakshmi Naidu; Srinivasarao, Singireddi; Napiórkowska, Agnieszka; Augustynowicz-Kopeć, Ewa; Murugesan, Sankaranarayanan; Chander, Subhash; Krishnan, Rangan; Chandra Sekhar, Kondapalli Venkata Gowri","Identification and development of pyrazolo[4,3-c]pyridine carboxamides as Mycobacterium tuberculosis pantothenate synthetase inhibitors","New J. Chem.","2017","41","1","347","","10.1039/C6NJ02671K","","","0.71073","MoKα","","","0.0479","","","","0.2031","","","","","","1.003","","","","has coordinates","301851","2025-08-21","20:32:54",""
"7055865","8.6286","0.0004","8.7296","0.0004","12.6607","0.0005","107.345","0.004","98.847","0.004","99.464","0.004","876.82","0.07","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H44 N14 Ni3 O4 -","- C28 H44 N14 Ni3 O4 -","- C28 H44 N14 Ni3 O4 -","1","0.5","","Andrusenko, Elena V.; Kabin, Evgeniy V.; Novikov, Alexander S.; Bokach, Nadezhda A.; Starova, Galina L.; Kukushkin, Vadim Yu.","Metal-mediated generation of triazapentadienate-terminated di- and trinuclear μ2-pyrazolate NiII species and control of their nuclearity","New J. Chem.","2017","41","1","316","","10.1039/C6NJ02962K","","","0.7107","MoKα","","0.0657","0.0435","","","0.0831","0.0903","","","","","","1.044","","","","has coordinates","301851","2025-08-21","20:32:54",""
"7055866","8.1705","0.0004","10.6165","0.0007","14.8093","0.0008","78.021","0.005","75.628","0.005","86.402","0.005","1217.2","0.12","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H30 N10 Ni2 O4 -","- C18 H30 N10 Ni2 O4 -","- C36 H60 N20 Ni4 O8 -","2","1","","Andrusenko, Elena V.; Kabin, Evgeniy V.; Novikov, Alexander S.; Bokach, Nadezhda A.; Starova, Galina L.; Kukushkin, Vadim Yu.","Metal-mediated generation of triazapentadienate-terminated di- and trinuclear μ2-pyrazolate NiII species and control of their nuclearity","New J. Chem.","2017","41","1","316","","10.1039/C6NJ02962K","","","0.7107","MoKα","","0.0613","0.0417","","","0.0743","0.0817","","","","","","1.046","","","","has coordinates","301851","2025-08-21","20:32:54",""
"7055867","11.83295","0.00018","39.2516","0.0005","16.362","0.0003","90","","99.3458","0.0014","90","","7498.7","0.2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C38 H38 N10 Ni2 O4 -","- C38 H38 N10 Ni2 O4 -","- C304 H304 N80 Ni16 O32 -","8","2","","Andrusenko, Elena V.; Kabin, Evgeniy V.; Novikov, Alexander S.; Bokach, Nadezhda A.; Starova, Galina L.; Kukushkin, Vadim Yu.","Metal-mediated generation of triazapentadienate-terminated di- and trinuclear μ2-pyrazolate NiII species and control of their nuclearity","New J. Chem.","2017","41","1","316","","10.1039/C6NJ02962K","","","1.54184","CuKα","","0.058","0.0442","","","0.1091","0.1169","","","","","","1.046","","","","has coordinates","301851","2025-08-21","20:32:54",""
"7055868","9.8999","0.0005","5.7496","0.0003","11.1292","0.0005","90","","98.159","0.004","90","","627.07","0.05","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H16 N6 Ni O4 -","- C8 H16 N6 Ni O4 -","- C16 H32 N12 Ni2 O8 -","2","0.5","","Andrusenko, Elena V.; Kabin, Evgeniy V.; Novikov, Alexander S.; Bokach, Nadezhda A.; Starova, Galina L.; Kukushkin, Vadim Yu.","Metal-mediated generation of triazapentadienate-terminated di- and trinuclear μ2-pyrazolate NiII species and control of their nuclearity","New J. Chem.","2017","41","1","316","","10.1039/C6NJ02962K","","","1.5418","CuKα","","0.036","0.0324","","","0.0962","0.0991","","","","","","1.142","","","","has coordinates","301851","2025-08-21","20:32:54",""
"7055869","13.6333","0.0012","14.8982","0.0004","11.0132","0.0005","90","","112.089","0.006","90","","2072.7","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H36 N14 Ni3 O4 -","- C36 H36 N14 Ni3 O4 -","- C72 H72 N28 Ni6 O8 -","2","0.5","","Andrusenko, Elena V.; Kabin, Evgeniy V.; Novikov, Alexander S.; Bokach, Nadezhda A.; Starova, Galina L.; Kukushkin, Vadim Yu.","Metal-mediated generation of triazapentadienate-terminated di- and trinuclear μ2-pyrazolate NiII species and control of their nuclearity","New J. Chem.","2017","41","1","316","","10.1039/C6NJ02962K","","x-ray","1.54184","CuKα","","0.0648","0.0573","","","0.1746","0.1857","","","","","","1.053","","","","has coordinates,has disorder","301851","2025-08-21","20:32:54",""
"7055870","10.193","0.0006","10.5329","0.0006","26.0752","0.0018","85.312","0.004","82.9","0.004","64.441","0.004","2504.9","0.3","273","2","273","2","","","","","","","","4","P -1","-P 1","2","","(E)-4-(4-(benzo[d]thiazol-2-yl)styryl)-N,N-diphenylaniline","","- C33 H24 N2 S -","- C33 H24 N1.6635 S0.6635 -","- C132 H96 N6.654 S2.654 -","4","2","","Zhan, Yong; Yang, Peng; Li, Gang; Zhang, Yuanyuan; Bao, Ying","Reversible piezofluorochromism of a triphenylamine-based benzothiazole derivative with a strong fluorescence response to volatile acid vapors","New J. Chem.","2017","41","1","263","","10.1039/C6NJ02735K","","","0.71073","MoKα","","0.1347","0.0656","","","0.1578","0.1989","","","","","","1.028","","","","has coordinates,has disorder","191716","2020-10-21","18:00:00",""
"7055871","3.8235","0.0016","16.595","0.007","9.641","0.004","90","","99.676","0.007","90","","603","0.4","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C3 H5 N5 O2 -","- C3 H5 N5 O2 -","- C12 H20 N20 O8 -","4","1","","Zhou, Tianhong; Li, Yanfeng; Xu, Kangzhen; Song, Jirong; Zhao, Fengqi","The new role of 1,1-diamino-2,2-dinitroethylene (FOX-7): two unexpected reactions","New J. Chem.","2017","41","1","168","","10.1039/C6NJ03370A","","","0.71073","MoKα","","0.0687","0.0493","","","0.1166","0.1283","","","","","","0.96","","","","has coordinates","301851","2025-08-21","20:32:54",""
"7055872","13.979","0.004","18.939","0.005","22.465","0.006","101.682","0.006","107.72","0.006","94.808","0.006","5480","3","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H76 Li4 N6 O3 Si2 -","- C48 H76 Li4 N6 O3 Si2 -","- C192 H304 Li16 N24 O12 Si8 -","4","2","","Li, Wei; Bai, Sheng-Di; Su, Feng; Yuan, Shi-Fang; Duan, Xin-E; Liu, Dian-Sheng","Zirconium complexes based on an ethylene linked amidinate‒amido ligand: synthesis, characterization and ethylene polymerization","New J. Chem.","2017","41","2","661","","10.1039/C6NJ02537D","","","0.71073","MoKα","","0.1822","0.0821","","","0.1929","0.2176","","","","","","1.086","","","","has coordinates,has disorder","191697","2020-10-21","18:00:00",""
"7055873","34.8268","0.0012","9.1327","0.0003","24.1978","0.0009","90","","107.572","0.001","90","","7337.3","0.4","194","2","194","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C36 H46 N6 Si2 Zr -","- C36 H46 N6 Si2 Zr -","- C288 H368 N48 Si16 Zr8 -","8","2","","Li, Wei; Bai, Sheng-Di; Su, Feng; Yuan, Shi-Fang; Duan, Xin-E; Liu, Dian-Sheng","Zirconium complexes based on an ethylene linked amidinate–amido ligand: synthesis, characterization and ethylene polymerization","New J. Chem.","2017","41","2","661","","10.1039/C6NJ02537D","","","0.71073","MoKα","","0.0673","0.0467","","","0.0994","0.1088","","","","","","1.023","","","","has coordinates","301851","2025-08-21","20:32:54",""
"7055874","10.584","0.003","35.281","0.008","9.826","0.002","90","","101.664","0.005","90","","3593.4","1.5","194","2","194","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C26 H44 Cl4 Li N3 O2 Si Zr -","- C26 H44 Cl4 Li N3 O2 Si Zr -","- C104 H176 Cl16 Li4 N12 O8 Si4 Zr4 -","4","1","","Li, Wei; Bai, Sheng-Di; Su, Feng; Yuan, Shi-Fang; Duan, Xin-E; Liu, Dian-Sheng","Zirconium complexes based on an ethylene linked amidinate‒amido ligand: synthesis, characterization and ethylene polymerization","New J. Chem.","2017","41","2","661","","10.1039/C6NJ02537D","","","0.71073","MoKα","","0.1089","0.0647","","","0.123","0.1385","","","","","","1.067","","","","has coordinates,has disorder","191697","2020-10-21","18:00:00",""
"7055875","12.156","0.003","13.583","0.003","13.801","0.003","89.852","0.005","77.833","0.004","77.133","0.004","2169.3","0.9","194","2","194","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H64 Li4 N4 O3 Si2 -","- C34 H64 Li4 N4 O3 Si2 -","- C68 H128 Li8 N8 O6 Si4 -","2","1","","Li, Wei; Bai, Sheng-Di; Su, Feng; Yuan, Shi-Fang; Duan, Xin-E; Liu, Dian-Sheng","Zirconium complexes based on an ethylene linked amidinate‒amido ligand: synthesis, characterization and ethylene polymerization","New J. Chem.","2017","41","2","661","","10.1039/C6NJ02537D","","","0.71073","MoKα","","0.2153","0.131","","","0.3824","0.4519","","","","","","1.06","","","","has coordinates","191697","2020-10-21","18:00:00",""
"7055876","11.4347","0.0004","14.9823","0.0005","16.8734","0.0006","90","","96.583","0.001","90","","2871.66","0.17","200","2","200","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C40 H56 Cl14 N6 Si2 Zr2 -","- C40 H56 Cl14 N6 Si2 Zr2 -","- C80 H112 Cl28 N12 Si4 Zr4 -","2","0.5","","Li, Wei; Bai, Sheng-Di; Su, Feng; Yuan, Shi-Fang; Duan, Xin-E; Liu, Dian-Sheng","Zirconium complexes based on an ethylene linked amidinate‒amido ligand: synthesis, characterization and ethylene polymerization","New J. Chem.","2017","41","2","661","","10.1039/C6NJ02537D","","","0.71073","MoKα","","0.0422","0.0382","","","0.0935","0.0978","","","","","","1.044","","","","has coordinates","191697","2020-10-21","18:00:00",""
"7055877","10.51","0.005","15.733","0.007","18.67","0.008","79.12","0.02","74.44","0.02","77.5","0.02","2875","2","296","2","296","","","","","","","","","5","P -1","-P 1","2","","","","- C45 H77 Mo2 N7 O12 -","- C45 H77 Mo2 N7 O12 -","- C90 H154 Mo4 N14 O24 -","2","1","","Maurya, Mannar R.; Rana, Lata; Avecilla, Fernando","Molybdenum complexes with a μ-O{MoO2}2 core: their synthesis, crystal structure and application as catalysts for the oxidation of bicyclic alcohols using N-based additives","New J. Chem.","2017","41","2","724","","10.1039/C6NJ03162E","","","0.71073","MOKα","","0.0929","0.0584","","","0.1758","0.2634","","","","","","1.067","","","","has coordinates","191700","2020-10-21","18:00:00",""
"7055878","11.6534","0.0003","39.0383","0.0012","12.9675","0.0004","90","","116.524","0.0013","90","","5278.4","0.3","100","2","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H26 Mo2 N2 O11 S2 -","- C20 H26 Mo2 N2 O11 S2 -","- C160 H208 Mo16 N16 O88 S16 -","8","2","","Maurya, Mannar R.; Rana, Lata; Avecilla, Fernando","Molybdenum complexes with a μ-O{MoO2}2 core: their synthesis, crystal structure and application as catalysts for the oxidation of bicyclic alcohols using N-based additives","New J. Chem.","2017","41","2","724","","10.1039/C6NJ03162E","","","0.71073","MoKα","","0.0525","0.0431","","","0.0949","0.0985","","","","","","1.097","","","","has coordinates,has disorder","301851","2025-08-21","20:32:54",""
"7055879","21.595","0.003","11.459","0.018","26.335","0.004","90","","90","","90","","6517","10","150","2","150","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C32 H49 N5 Zr -","- C32 H49 N5 Zr -","- C256 H392 N40 Zr8 -","8","2","","Luconi, Lapo; Kissel, Alexander A.; Rossin, Andrea; Khamaletdinova, Nadiya M.; Cherkasov, Anton V.; Tuci, Giulia; Fukin, Georgy K.; Trifonov, Alexander A.; Giambastiani, Giuliano","C1 and Cs 2-pyridylethylanilido zirconium(iv), yttrium(iii) and lutetium(iii) complexes: synthesis, characterization and catalytic activity in the isoprene polymerization","New J. Chem.","2017","41","2","540","","10.1039/C6NJ03193E","","x-ray","1.5418","CuKα","","0.1195","0.0846","","","0.1838","0.2115","","","","","","1.062","","","","has coordinates","301851","2025-08-21","20:32:54",""
"7055880","11.693","0.008","17.076","0.011","18.712","0.015","90","","91.569","0.006","90","","3735","5","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C39 H55 N5 Zr -","- C39 H55 N5 Zr -","- C156 H220 N20 Zr4 -","4","1","","Luconi, Lapo; Kissel, Alexander A.; Rossin, Andrea; Khamaletdinova, Nadiya M.; Cherkasov, Anton V.; Tuci, Giulia; Fukin, Georgy K.; Trifonov, Alexander A.; Giambastiani, Giuliano","C1 and Cs 2-pyridylethylanilido zirconium(iv), yttrium(iii) and lutetium(iii) complexes: synthesis, characterization and catalytic activity in the isoprene polymerization","New J. Chem.","2017","41","2","540","","10.1039/C6NJ03193E","","x-ray","0.71069","MoKα","","0.227","0.0836","","","0.1058","0.149","","","","","","0.968","","","","has coordinates","301851","2025-08-21","20:32:54",""
"7055881","10.2449","0.0007","18.0995","0.0012","26.6375","0.0019","90","","95.685","0.001","90","","4915","0.6","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C52 H75 N2 O Si2 Y -","- C52 H75 N2 O Si2 Y -","- C208 H300 N8 O4 Si8 Y4 -","4","1","","Luconi, Lapo; Kissel, Alexander A.; Rossin, Andrea; Khamaletdinova, Nadiya M.; Cherkasov, Anton V.; Tuci, Giulia; Fukin, Georgy K.; Trifonov, Alexander A.; Giambastiani, Giuliano","C1 and Cs 2-pyridylethylanilido zirconium(iv), yttrium(iii) and lutetium(iii) complexes: synthesis, characterization and catalytic activity in the isoprene polymerization","New J. Chem.","2017","41","2","540","","10.1039/C6NJ03193E","","","0.71073","MoKα","","0.0575","0.0411","","","0.0966","0.1015","","","","","","1.03","","","","has coordinates","191703","2020-10-21","18:00:00",""
"7055882","13.9268","0.0003","8.7933","0.0002","13.3931","0.0003","90","","97.667","0.002","90","","1625.49","0.06","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H10 N5 O6 V -","- C14 H10 N5 O6 V -","- C56 H40 N20 O24 V4 -","4","1","","Koleša-Dobravc, Tanja; Maejima, Keiichi; Yoshikawa, Yutaka; Meden, Anton; Yasui, Hiroyuki; Perdih, Franc","Vanadium and zinc complexes of 5-cyanopicolinate and pyrazine derivatives: synthesis, structural elucidation and in vitro insulino-mimetic activity study","New J. Chem.","2017","41","2","735","","10.1039/C6NJ02961B","","","0.71073","MoKα","","0.0437","0.0333","","","0.0873","0.0932","","","","","","1.044","","","","has coordinates","301851","2025-08-21","20:32:54",""
"7055883","7.8991","0.0001","8.1586","0.0001","12.3149","0.0002","74.517","0.001","85.174","0.001","64.596","0.001","690.463","0.018","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H10 N5 O6 V -","- C10 H10 N5 O6 V -","- C20 H20 N10 O12 V2 -","2","1","","Koleša-Dobravc, Tanja; Maejima, Keiichi; Yoshikawa, Yutaka; Meden, Anton; Yasui, Hiroyuki; Perdih, Franc","Vanadium and zinc complexes of 5-cyanopicolinate and pyrazine derivatives: synthesis, structural elucidation and in vitro insulino-mimetic activity study","New J. Chem.","2017","41","2","735","","10.1039/C6NJ02961B","","","0.71073","MoKα","","0.0289","0.0264","","","0.074","0.0758","","","","","","1.037","","","","has coordinates","301851","2025-08-21","20:32:54",""
"7055884","9.2182","0.0002","11.9215","0.0003","14.0719","0.0003","90","","98.587","0.002","90","","1529.09","0.06","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H14 N7 O7 V -","- C10 H14 N7 O7 V -","- C40 H56 N28 O28 V4 -","4","1","","Koleša-Dobravc, Tanja; Maejima, Keiichi; Yoshikawa, Yutaka; Meden, Anton; Yasui, Hiroyuki; Perdih, Franc","Vanadium and zinc complexes of 5-cyanopicolinate and pyrazine derivatives: synthesis, structural elucidation and in vitro insulino-mimetic activity study","New J. Chem.","2017","41","2","735","","10.1039/C6NJ02961B","","","0.71073","MoKα","","0.0375","0.0322","","","0.0849","0.0885","","","","","","1.075","","","","has coordinates","301851","2025-08-21","20:32:54",""
"7055885","5.019","0.0004","6.4793","0.0004","12.6014","0.0006","91.545","0.004","99.276","0.005","110.23","0.006","377.97","0.05","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H10 N4 O6 Zn -","- C14 H10 N4 O6 Zn -","- C14 H10 N4 O6 Zn -","1","0.5","","Koleša-Dobravc, Tanja; Maejima, Keiichi; Yoshikawa, Yutaka; Meden, Anton; Yasui, Hiroyuki; Perdih, Franc","Vanadium and zinc complexes of 5-cyanopicolinate and pyrazine derivatives: synthesis, structural elucidation and in vitro insulino-mimetic activity study","New J. Chem.","2017","41","2","735","","10.1039/C6NJ02961B","","","0.71073","MoKα","","0.043","0.0365","","","0.0667","0.0706","","","","","","1.151","","","","has coordinates","301851","2025-08-21","20:32:54",""
"7055886","10.5093","0.0002","11.7016","0.0002","12.5825","0.0002","81.159","0.001","86.783","0.001","72.654","0.001","1459.34","0.04","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H26 N8 O4 Zn -","- C31 H26 N8 O4 Zn -","- C62 H52 N16 O8 Zn2 -","2","1","","Koleša-Dobravc, Tanja; Maejima, Keiichi; Yoshikawa, Yutaka; Meden, Anton; Yasui, Hiroyuki; Perdih, Franc","Vanadium and zinc complexes of 5-cyanopicolinate and pyrazine derivatives: synthesis, structural elucidation and in vitro insulino-mimetic activity study","New J. Chem.","2017","41","2","735","","10.1039/C6NJ02961B","","","0.71073","MoKα","","0.0486","0.0434","","","0.1202","0.1271","","","","","","1.026","","","","has coordinates","191699","2020-10-21","18:00:00",""
"7055887","10.13","0.0001","11.4236","0.0002","17.9233","0.0003","90","","114.146","0.001","90","","1892.63","0.05","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H12 N6 O4 Zn -","- C19 H12 N6 O4 Zn -","- C76 H48 N24 O16 Zn4 -","4","1","","Koleša-Dobravc, Tanja; Maejima, Keiichi; Yoshikawa, Yutaka; Meden, Anton; Yasui, Hiroyuki; Perdih, Franc","Vanadium and zinc complexes of 5-cyanopicolinate and pyrazine derivatives: synthesis, structural elucidation and in vitro insulino-mimetic activity study","New J. Chem.","2017","41","2","735","","10.1039/C6NJ02961B","","","1.54184","CuKα","","0.0334","0.0279","","","0.0688","0.0729","","","","","","1.06","","","","has coordinates","301851","2025-08-21","20:32:54",""
"7055888","19.2608","0.0004","7.1469","0.0001","17.3723","0.0004","90","","90","","90","","2391.38","0.08","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C24 H16 N6 O4 Zn -","- C24 H16 N6 O4 Zn -","- C96 H64 N24 O16 Zn4 -","4","1","","Koleša-Dobravc, Tanja; Maejima, Keiichi; Yoshikawa, Yutaka; Meden, Anton; Yasui, Hiroyuki; Perdih, Franc","Vanadium and zinc complexes of 5-cyanopicolinate and pyrazine derivatives: synthesis, structural elucidation and in vitro insulino-mimetic activity study","New J. Chem.","2017","41","2","735","","10.1039/C6NJ02961B","","","0.71073","MoKα","","0.0458","0.0342","","","0.0788","0.0849","","","","","","1.045","","","","has coordinates","301851","2025-08-21","20:32:54",""
"7055889","13.035","0.0003","29.0574","0.0007","20.4786","0.0005","90","","118.529","0.002","90","","6814.7","0.3","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C35 H30 N6 O6 Zn -","- C35 H30 N6 O6 Zn -","- C280 H240 N48 O48 Zn8 -","8","2","","Koleša-Dobravc, Tanja; Maejima, Keiichi; Yoshikawa, Yutaka; Meden, Anton; Yasui, Hiroyuki; Perdih, Franc","Vanadium and zinc complexes of 5-cyanopicolinate and pyrazine derivatives: synthesis, structural elucidation and in vitro insulino-mimetic activity study","New J. Chem.","2017","41","2","735","","10.1039/C6NJ02961B","","","0.71073","MoKα","","0.0994","0.0585","","","0.1756","0.2059","","","","","","1.072","","","","has coordinates,has disorder","301851","2025-08-21","20:32:54",""
"7055890","11.906","0.005","13.462","0.005","15.476","0.005","69.79","0.005","83.07","0.005","89.517","0.005","2309.3","1.5","120","2","120.15","","","","","","","","","5","P -1","-P 1","2","","","","- C18 H24 In N3 S6 -","- C18 H24 In N3 S6 -","- C72 H96 In4 N12 S24 -","4","2","","Ghosh, Abhisek Brata; Saha, Namrata; Sarkar, Arpita; Dutta, Amit Kumar; Maji, Swarup Kumar; Adhikary, Bibhutosh","Observation of enhanced photocurrent response in M‒CuInS2 (M = Au, Ag) heteronanostructures: phase selective synthesis and application","New J. Chem.","2017","41","2","692","","10.1039/C6NJ02439D","","","0.71073","MoKα","","0.0515","0.0358","","","0.0768","0.0827","","","","","","1.029","","","","has coordinates,has disorder","191704","2020-10-21","18:00:00",""
"7055891","10.6096","0.0007","12.9537","0.0008","14.5386","0.0009","84.106","0.002","72.903","0.002","72.028","0.002","1816.5","0.2","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H38 Cu N P2 S2 -","- C42 H38 Cu N P2 S2 -","- C84 H76 Cu2 N2 P4 S4 -","2","1","","Ghosh, Abhisek Brata; Saha, Namrata; Sarkar, Arpita; Dutta, Amit Kumar; Maji, Swarup Kumar; Adhikary, Bibhutosh","Observation of enhanced photocurrent response in M‒CuInS2 (M = Au, Ag) heteronanostructures: phase selective synthesis and application","New J. Chem.","2017","41","2","692","","10.1039/C6NJ02439D","","","0.71073","MoKα","","0.0702","0.0452","","","0.1171","0.1403","","","","","","1.023","","","","has coordinates","191704","2020-10-21","18:00:00",""
"7055892","7.9019","0.0005","9.722","0.0006","10.8821","0.0007","97.947","0.001","95.917","0.001","113.062","0.001","750.36","0.08","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H13 N O7 Zn -","- C16 H13 N O7 Zn -","- C32 H26 N2 O14 Zn2 -","2","1","","Li, Huijun; Wang, Yuan; He, Yaling; Xu, Zhouqing; Zhao, Xiaolei; Han, Yi","Synthesis of several novel coordination complexes: ion exchange, magnetic and photocatalytic studies","New J. Chem.","2017","41","3","1046","","10.1039/C6NJ02863B","","","0.71073","MoKα","","0.0398","0.0336","","","0.082","0.0857","","","","","","1.041","","","","has coordinates","191706","2020-10-21","18:00:00",""
"7055893","8.6847","0.0005","18.816","0.0011","14.1392","0.0009","90","","91.92","0.001","90","","2309.2","0.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H21 N3 O7 Zn -","- C26 H21 N3 O7 Zn -","- C104 H84 N12 O28 Zn4 -","4","1","","Li, Huijun; Wang, Yuan; He, Yaling; Xu, Zhouqing; Zhao, Xiaolei; Han, Yi","Synthesis of several novel coordination complexes: ion exchange, magnetic and photocatalytic studies","New J. Chem.","2017","41","3","1046","","10.1039/C6NJ02863B","","","0.71073","MoKα","","0.055","0.035","","","0.0773","0.0829","","","","","","1.016","","","","has coordinates","191706","2020-10-21","18:00:00",""
"7055894","24.119","0.004","7.794","0.0012","18.09","0.003","90","","100.985","0.002","90","","3338.3","0.9","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C21 H13 N2 O5 S0 Zn -","- C21 H13 N2 O5 Zn -","- C168 H104 N16 O40 Zn8 -","8","1","","Li, Huijun; Wang, Yuan; He, Yaling; Xu, Zhouqing; Zhao, Xiaolei; Han, Yi","Synthesis of several novel coordination complexes: ion exchange, magnetic and photocatalytic studies","New J. Chem.","2017","41","3","1046","","10.1039/C6NJ02863B","","","0.71073","MoKα","","0.0871","0.0409","","","0.0625","0.0683","","","","","","1.051","","","","has coordinates","191706","2020-10-21","18:00:00",""
"7055895","21.187","0.01","21.187","0.01","21.9","0.02","90","","90","","120","","8514","10","296","2","296","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C18 H20.5 Cu N1.5 O9 -","- C16 H11 Cu N O6 -","- C288 H198 Cu18 N18 O108 -","18","1","","Li, Huijun; Wang, Yuan; He, Yaling; Xu, Zhouqing; Zhao, Xiaolei; Han, Yi","Synthesis of several novel coordination complexes: ion exchange, magnetic and photocatalytic studies","New J. Chem.","2017","41","3","1046","","10.1039/C6NJ02863B","","","0.71073","MoKα","","0.0826","0.051","","","0.0992","0.1078","","","","","","0.947","","","","has coordinates,has disorder","191706","2020-10-21","18:00:00",""
"7055896","13.981","0.002","13.594","0.002","30.578","0.005","90","","93.477","0.003","90","","5800.9","1.5","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C68 H42 Cl2 Cu3 N8 O18 -","- C68 H42 Cl2 Cu3 N8 O18 -","- C272 H168 Cl8 Cu12 N32 O72 -","4","0.5","","Li, Huijun; Wang, Yuan; He, Yaling; Xu, Zhouqing; Zhao, Xiaolei; Han, Yi","Synthesis of several novel coordination complexes: ion exchange, magnetic and photocatalytic studies","New J. Chem.","2017","41","3","1046","","10.1039/C6NJ02863B","","","0.71073","MoKα","","0.0485","0.0362","","","0.0908","0.0961","","","","","","1.005","","","","has coordinates","191706","2020-10-21","18:00:00",""
"7055897","11.807","0.009","9.928","0.009","23.44","0.02","90","","97.668","0.015","90","","2723","4","293","2","293","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C35 H34 Co N6 O6 -","- C29 H25 Co N3 O6 -","- C116 H100 Co4 N12 O24 -","4","1","","Li, Huijun; Wang, Yuan; He, Yaling; Xu, Zhouqing; Zhao, Xiaolei; Han, Yi","Synthesis of several novel coordination complexes: ion exchange, magnetic and photocatalytic studies","New J. Chem.","2017","41","3","1046","","10.1039/C6NJ02863B","","","0.71073","MoKα","","0.0783","0.0465","","","0.1042","0.1158","","","","","","1.066","","","","has coordinates,has disorder","191706","2020-10-21","18:00:00",""
"7055898","14.579","0.004","16.227","0.004","15.737","0.003","90","","117.599","0.018","90","","3299.3","1.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H36 Co N4 O11 -","- C32 H36 Co N4 O11 -","- C128 H144 Co4 N16 O44 -","4","1","","Li, Huijun; Wang, Yuan; He, Yaling; Xu, Zhouqing; Zhao, Xiaolei; Han, Yi","Synthesis of several novel coordination complexes: ion exchange, magnetic and photocatalytic studies","New J. Chem.","2017","41","3","1046","","10.1039/C6NJ02863B","","","0.71073","MoKα","","0.0602","0.0409","","","0.0974","0.1056","","","","","","1.057","","","","has coordinates","191706","2020-10-21","18:00:00",""
"7055899","9.5056","0.0004","37.3101","0.0015","14.736","0.0006","90","","96.305","0.001","90","","5194.6","0.4","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C57 H46 N6 O15 S0 Zn2 -","- C57 H46 N6 O15 Zn2 -","- C228 H184 N24 O60 Zn8 -","4","1","","Li, Huijun; Wang, Yuan; He, Yaling; Xu, Zhouqing; Zhao, Xiaolei; Han, Yi","Synthesis of several novel coordination complexes: ion exchange, magnetic and photocatalytic studies","New J. Chem.","2017","41","3","1046","","10.1039/C6NJ02863B","","","0.71073","MoKα","","0.0967","0.0675","","","0.158","0.1671","","","","","","1.104","","","","has coordinates","191706","2020-10-21","18:00:00",""
"7055900","14.2129","0.0008","17.0556","0.001","26.872","0.0015","89.444","0.005","83.294","0.004","82.777","0.005","6418","0.6","140","1","140","1","","","","","","","","4","P -1","-P 1","2","","","","- C124 H114 Mn12 O47 -","- C124 H108 Mn12 O47 -","- C248 H216 Mn24 O94 -","2","1","","Kushch, Lyudmila A.; Kazakova, Anna V.; Mironova, Svetlana A.; Yagubskii, Eduard B.; Simonov, Sergey V.; Zorina, Leokadiya V.; Shibaeva, Rimma P.; Sadakov, Andrey V.; Mironov, Vladimir S.","A perylene complex with a one-dimensional coordination polymer containing [Mn6O2(CHCl2COO)10(H2O)2] cluster units linked by 3,10-perylenequinone bridges","New J. Chem.","2017","41","2","793","","10.1039/C6NJ03097A","","","0.71073","MoKα","","0.1903","0.0559","","","0.061","0.0691","","","","","","0.916","","","","has coordinates,has disorder","191702","2020-10-21","18:00:00",""
"7055901","19.829","0.0018","23.556","0.004","23.62","0.002","109.625","0.003","111.342","0.002","98.625","0.003","9202","2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C100 H52 Cl40 Mn12 O52 -","- C100 H52 Cl40 Mn12 O52 -","- C200 H104 Cl80 Mn24 O104 -","2","1","","Kushch, Lyudmila A.; Kazakova, Anna V.; Mironova, Svetlana A.; Yagubskii, Eduard B.; Simonov, Sergey V.; Zorina, Leokadiya V.; Shibaeva, Rimma P.; Sadakov, Andrey V.; Mironov, Vladimir S.","A perylene complex with a one-dimensional coordination polymer containing [Mn6O2(CHCl2COO)10(H2O)2] cluster units linked by 3,10-perylenequinone bridges","New J. Chem.","2017","41","2","793","","10.1039/C6NJ03097A","","","0.71073","MoKα","","0.3007","0.0961","","","0.1816","0.2168","","","","","","1.012","","","","has coordinates,has disorder","191702","2020-10-21","18:00:00",""
"7055902","9.4863","0.0006","10.0848","0.0006","13.3834","0.0009","110.202","0.003","91.71","0.003","112.977","0.002","1085.99","0.12","293","","293","","","","","","","","","5","P -1","-P 1","2","RT-L4F","2'-(4-fluorophenyl)-1'-nitro-1',2',5',6',7',7a'-hexahydrospiro[indeno[1,2-b]quinoxaline-11,3'-pyrrolizine]","","- C27 H21 F N4 O2 -","- C27 H21 F N4 O2 -","- C54 H42 F2 N8 O4 -","2","1","","Akondi, Adinarayana Murthy; Mekala, Sowmya; Kantam, Mannepalli Lakshmi; Trivedi, Rajiv; Raju Chowhan, L.; Das, Amitava","An expedient microwave assisted regio- and stereoselective synthesis of spiroquinoxaline pyrrolizine derivatives and their AChE inhibitory activity","New J. Chem.","2017","41","2","873","","10.1039/C6NJ02869A","","","0.71075","MoKα","","","0.0453","","","","0.1289","","","","","","0.997","","","","has coordinates","301851","2025-08-21","20:32:54",""
"7055903","7.79","0.0004","5.2518","0.0003","18.107","0.001","90","","92.039","0.003","90","","740.32","0.07","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","gmma","","- C16 H16 N2 S2 -","- C16 H16 N2 S2 -","- C32 H32 N4 S4 -","2","0.5","","Saha, Pinaki; Samanta, Debasish; Ghosh, Prasanta","Glyoxalbis(2-methylmercaptoanil) complexes of nickel and ruthenium: radical versus non-radical states","New J. Chem.","2017","41","3","1149","","10.1039/C6NJ02903E","","","0.71073","MoKα","","0.0545","0.0409","","","0.1043","0.1142","","","","","","0.969","","","","has coordinates","301851","2025-08-21","20:32:54",""
"7055904","18.1597","0.0019","16.2161","0.0018","6.9479","0.0007","90","","90","","90","","2046","0.4","293","2","293","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","1_CH2Cl2","","- C17 H18 Cl4 N2 Ni S2 -","- C17 H18 Cl4 N2 Ni S2 -","- C68 H72 Cl16 N8 Ni4 S8 -","4","0.5","","Saha, Pinaki; Samanta, Debasish; Ghosh, Prasanta","Glyoxalbis(2-methylmercaptoanil) complexes of nickel and ruthenium: radical versus non-radical states","New J. Chem.","2017","41","3","1149","","10.1039/C6NJ02903E","","","0.71073","MoKα","","0.0313","0.0271","","","0.0725","0.0752","","","","","","0.971","","","","has coordinates","191707","2020-10-21","18:00:00",""
"7055905","7.4899","0.0003","24.1677","0.0008","19.6549","0.0007","90","","100.84","0.001","90","","3494.3","0.2","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H16 Cl2 N2 Ru S2 -","- C16 H16 Cl2 N2 Ru S2 -","- C128 H128 Cl16 N16 Ru8 S16 -","8","2","","Saha, Pinaki; Samanta, Debasish; Ghosh, Prasanta","Glyoxalbis(2-methylmercaptoanil) complexes of nickel and ruthenium: radical versus non-radical states","New J. Chem.","2017","41","3","1149","","10.1039/C6NJ02903E","","","0.71073","MoKα","","0.0666","0.0402","","","0.0788","0.0895","","","","","","1.135","","","","has coordinates","191707","2020-10-21","18:00:00",""
"7055906","19.963","0.005","19.963","0.005","15.819","0.005","90","","90","","120","","5460","3","273","2","273","2","","","","","","","","8","P 63/m","-P 6c","176","","","","- C34 H33 Cl2 N2 O P Ru S2 -","- C34 H31 Cl2 N2 O P Ru S2 -","- C204 H186 Cl12 N12 O6 P6 Ru6 S12 -","6","0.5","","Saha, Pinaki; Samanta, Debasish; Ghosh, Prasanta","Glyoxalbis(2-methylmercaptoanil) complexes of nickel and ruthenium: radical versus non-radical states","New J. Chem.","2017","41","3","1149","","10.1039/C6NJ02903E","","","0.71073","MoKα","","0.0704","0.0532","","","0.1523","0.1773","","","","","","1.061","","","","has coordinates,has disorder","191707","2020-10-21","18:00:00",""
"7055907","29.476","","6.975","","13.591","","90","","112.53","","90","","2580.98","","120","2","120","2","","","","","","","synthesis as described","5","C 1 2/c 1","-C 2yc","15","2-amino-chalcone","(E)-1-(2-aminophenyl)-3-(3-bromo-5-hydroyphenyl)-prop-2-en-1-one","","- C15 H12 Br N O2 -","- C15 H12 Br N O2 -","- C120 H96 Br8 N8 O16 -","8","1","","Almeida, Leonardo R.; Anjos, Murilo M.; Ribeiro, Gabriela C.; Valverde, Clodoaldo; Machado, Daniel F. S.; Oliveira, Guilherme R.; Napolitano, Hamilton B.; de Oliveira, Heibbe C. B.","Synthesis, structural characterization and computational study of a novel amino chalcone: a potential nonlinear optical material","New J. Chem.","2017","41","4","1744","","10.1039/C5NJ03214H","","x-ray","0.71073","MoKα","","0.0194","0.0178","","","0.046","0.047","","","","","","1.084","","","","has coordinates","301851","2025-08-21","20:32:54",""
"7055908","9.8852","0.0005","16.8825","0.0009","8.172","0.0004","90","","93.423","0.002","90","","1361.37","0.12","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H20 Co O9 -","- C8 H18 Co O9 -","- C32 H72 Co4 O36 -","4","1","","Li, Zhong-Yi; Cao, Yuan-Qing; Zhang, Xiang-Ming; Xu, Ya-Lan; Cao, Guang-Xiu; Zhang, Fu-Li; Li, Su-Zhi; Zhang, Fu-Qiang; Zhai, Bin","Linking cobalt‒water chains with cis-1,4-cyclohexanedicarboxylate bridges to form a 2D network exhibiting spin-canted antiferromagnetism","New J. Chem.","2017","41","2","457","","10.1039/C6NJ03278H","","","0.71073","MoKα","","0.0815","0.0676","","","0.1911","0.1984","","","","","","1.058","","","","has coordinates,has disorder","191698","2020-10-21","18:00:00",""
"7055909","5.9313","0.0006","25.036","0.003","8.5659","0.0009","90","","93.723","0.004","90","","1269.3","0.2","172","2","172","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C7 H6 N8 O8 -","- C7 H6 N8 O8 -","- C28 H24 N32 O32 -","4","1","","Yu, Qiong; Cheng, Guangbin; Ju, Xuehai; Lu, Chunxu; Lin, Qiuhan; Yang, Hongwei","Compounds based on 3-amino-4-(5-methyl-1,2,4-oxadiazol-3-yl)furazan as insensitive energetic materials","New J. Chem.","2017","41","3","1202","","10.1039/C6NJ03333D","","","0.71073","MoKα","","0.0916","0.0426","","","0.0783","0.0922","","","","","","1.021","","","","has coordinates","301851","2025-08-21","20:32:54",""
"7055910","7.6336","0.0009","3.8428","0.0005","32.115","0.004","90","","90.568","0.005","90","","942","0.2","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C5 H5 N6 Na O5 -","- C5 H5 N6 Na O5 -","- C20 H20 N24 Na4 O20 -","4","1","","Yu, Qiong; Cheng, Guangbin; Ju, Xuehai; Lu, Chunxu; Lin, Qiuhan; Yang, Hongwei","Compounds based on 3-amino-4-(5-methyl-1,2,4-oxadiazol-3-yl)furazan as insensitive energetic materials","New J. Chem.","2017","41","3","1202","","10.1039/C6NJ03333D","","","0.71073","MoKα","","0.1143","0.0636","","","0.1371","0.1548","","","","","","1.049","","","","has coordinates","191714","2020-10-21","18:00:00",""
"7055911","8.3172","0.001","7.226","0.001","14.148","0.002","90","","90","","90","","850.3","0.2","173","2","173","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C5 H4 N6 O4 -","- C5 H4 N6 O4 -","- C20 H16 N24 O16 -","4","1","","Yu, Qiong; Cheng, Guangbin; Ju, Xuehai; Lu, Chunxu; Lin, Qiuhan; Yang, Hongwei","Compounds based on 3-amino-4-(5-methyl-1,2,4-oxadiazol-3-yl)furazan as insensitive energetic materials","New J. Chem.","2017","41","3","1202","","10.1039/C6NJ03333D","","","0.71073","MoKα","","0.0466","0.0314","","","0.0621","0.0686","","","","","","1.039","","","","has coordinates","301851","2025-08-21","20:32:54",""
"7055912","32.485","0.007","4.054","0.0008","14.208","0.003","90","","98.098","0.008","90","","1852.5","0.7","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C5 H7 N7 O5 -","- C5 H7 N7 O5 -","- C40 H56 N56 O40 -","8","1","","Yu, Qiong; Cheng, Guangbin; Ju, Xuehai; Lu, Chunxu; Lin, Qiuhan; Yang, Hongwei","Compounds based on 3-amino-4-(5-methyl-1,2,4-oxadiazol-3-yl)furazan as insensitive energetic materials","New J. Chem.","2017","41","3","1202","","10.1039/C6NJ03333D","","","0.71073","MoKα","","0.0833","0.0455","","","0.0905","0.1052","","","","","","1.036","","","","has coordinates","301851","2025-08-21","20:32:54",""
"7055913","8.0321","0.0008","8.2137","0.0008","10.1222","0.0009","73.271","0.003","80.987","0.003","65.449","0.003","581.19","0.1","172","2","172","2","","","","","","","","4","P -1","-P 1","2","","","","- C6 H10 N10 O4 -","- C6 H10 N10 O4 -","- C12 H20 N20 O8 -","2","1","","Yu, Qiong; Cheng, Guangbin; Ju, Xuehai; Lu, Chunxu; Lin, Qiuhan; Yang, Hongwei","Compounds based on 3-amino-4-(5-methyl-1,2,4-oxadiazol-3-yl)furazan as insensitive energetic materials","New J. Chem.","2017","41","3","1202","","10.1039/C6NJ03333D","","","0.71073","MoKα","","0.0781","0.0426","","","0.0892","0.103","","","","","","1.021","","","","has coordinates","301851","2025-08-21","20:32:54",""
"7055914","24.8882","0.0011","9.1632","0.0004","33.9677","0.0012","90","","101.789","0.004","90","","7583.1","0.6","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C78 H57 Cl4 Fe2 N15 O22 -","- C78 H57 Cl4 Fe2 N15 O22 -","- C312 H228 Cl16 Fe8 N60 O88 -","4","0.5","","Shee, Nirmal K.; Drew, Michael G. B.; Datta, Dipankar","Isolation of a metal-to-ligand charge-transfer (MLCT) state of a tris 1,4-diimine complex of iron in the solid state: X-ray crystal structure and EPR","New J. Chem.","2017","41","2","452","","10.1039/C6NJ02874H","","","0.71073","MoKα","","0.2166","0.0695","","","0.1536","0.2","","","","","","0.832","","","","has coordinates,has disorder","191695","2020-10-21","18:00:00",""
"7055915","8.979","0.0003","15.1223","0.0005","15.7117","0.0008","90","","100.137","0.004","90","","2100.08","0.15","175","","175","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1,3-Bis(2,4,6-trimethylphenyl)-4,5-trans-dimethyl]imidazolidinium chloride","","- C23 H31 Cl N2 -","- C23 H31 Cl N2 -","- C92 H124 Cl4 N8 -","4","1","","Beillard, Audrey; Bantreil, Xavier; Métro, Thomas-Xavier; Martinez, Jean; Lamaty, Frédéric","Mechanochemistry for facilitated access to N,N-diaryl NHC metal complexes","New J. Chem.","2017","41","3","1057","","10.1039/C6NJ02895K","","","1.54184","CuKα","","0.0751","0.0678","","0.072","0.0709","0.0709","","","","","","1.0241","","","","has coordinates","301851","2025-08-21","20:32:54",""
"7055916","9.6949","0.0008","16.3365","0.0019","12.523","0.0001","90","","96.097","0.008","90","","1972.2","0.3","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C28 H18 N2 O -","- C28 H18 N2 O -","- C112 H72 N8 O4 -","4","2","","Samanta, Soham; Manna, Utsab; Das, Gopal","White-light emission from simple AIE–ESIPT-excimer tripled single molecular system","New J. Chem.","2017","41","3","1064","","10.1039/C6NJ03070J","","","0.71073","MoKα","","0.174","0.1277","","","0.3054","0.3615","","","","","","1.189","","","","has coordinates","301851","2025-08-21","20:32:54",""
"7055917","11.974","0.0002","14.1021","0.0002","17.2015","0.0004","102.505","0.0007","101.119","0.0007","106.199","0.0007","2621.9","0.09","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C112.5 H117 B2 Cl Ni2 O4 P6 S4 -","- C112.5 H117 B2 Cl Ni2 O4 P6 S4 -","- C112.5 H117 B2 Cl Ni2 O4 P6 S4 -","1","0.5","","Yadav, Reena; Singh, Ashish Kumar; Waghadkar, Yogesh; Kociok-Köhn, Gabriele; Kumar, Abhinav; Chauhan, Ratna; Rane, Sunit; Gosavi, Suresh","1,2-Bis(diphenylphosphino)ethane nickel(ii) O,O′-dialkyldithiophosphates as potential precursors for nickel sulfides","New J. Chem.","2017","41","3","1327","","10.1039/C6NJ03186B","","","0.71073","MoKα","","0.066","0.0452","","","0.0963","0.1034","","","","","","1.112","","","","has coordinates","301851","2025-08-21","20:32:54",""
"7055918","9.5117","0.0001","17.2102","0.0002","22.5279","0.0003","90","","100.921","0.0007","90","","3620.99","0.07","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C32 H38 F6 Ni O2 P4 S2 -","- C32 H38 F6 Ni O2 P4 S2 -","- C128 H152 F24 Ni4 O8 P16 S8 -","4","1","","Yadav, Reena; Singh, Ashish Kumar; Waghadkar, Yogesh; Kociok-Köhn, Gabriele; Kumar, Abhinav; Chauhan, Ratna; Rane, Sunit; Gosavi, Suresh","1,2-Bis(diphenylphosphino)ethane nickel(ii) O,O′-dialkyldithiophosphates as potential precursors for nickel sulfides","New J. Chem.","2017","41","3","1327","","10.1039/C6NJ03186B","","","0.71073","MoKα","","0.0802","0.0593","","","0.1291","0.137","","","","","","1.115","","","","has coordinates","191710","2020-10-21","18:00:00",""
"7055919","14.2516","0.0002","18.8126","0.0002","18.1568","0.0003","90","","100.694","0.0006","90","","4783.46","0.12","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C54 H54 B Ni O2 P3 S2 -","- C54 H54 B Ni O2 P3 S2 -","- C216 H216 B4 Ni4 O8 P12 S8 -","4","1","","Yadav, Reena; Singh, Ashish Kumar; Waghadkar, Yogesh; Kociok-Köhn, Gabriele; Kumar, Abhinav; Chauhan, Ratna; Rane, Sunit; Gosavi, Suresh","1,2-Bis(diphenylphosphino)ethane nickel(ii) O,O′-dialkyldithiophosphates as potential precursors for nickel sulfides","New J. Chem.","2017","41","3","1327","","10.1039/C6NJ03186B","","","0.71073","MoKα","","0.0823","0.0454","","","0.0849","0.0965","","","","","","1.035","","","","has coordinates","191710","2020-10-21","18:00:00",""
"7055920","6.8322","0.0002","11.3756","0.0004","12.59","0.0004","79.412","0.002","89.08","0.002","75.553","0.002","930.97","0.05","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C4 H12 Cu3 N22 -","- C4 H12 Cu3 N22 -","- C8 H24 Cu6 N44 -","2","1","","Zeng, Ying; Liu, Sui-Jun; Liu, Cai-Ming; Xie, Yong-Rong; Du, Zi-Yi","Diversified magnetic behaviors of new nickel(ii) and copper(ii) azido coordination polymers templated by diethyl or triethyl amines","New J. Chem.","2017","41","3","1212","","10.1039/C6NJ03268K","","","0.71073","MoKα","","0.0275","0.0252","","","0.065","0.0666","","","","","","1.014","","","","has coordinates","191712","2020-10-21","18:00:00",""
"7055921","10.404","0.0008","7.9731","0.0006","13.5232","0.001","90","","97.113","0.001","90","","1113.14","0.15","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C6 H16 N8 Ni -","- C6 H16 N8 Ni -","- C24 H64 N32 Ni4 -","4","1","","Zeng, Ying; Liu, Sui-Jun; Liu, Cai-Ming; Xie, Yong-Rong; Du, Zi-Yi","Diversified magnetic behaviors of new nickel(ii) and copper(ii) azido coordination polymers templated by diethyl or triethyl amines","New J. Chem.","2017","41","3","1212","","10.1039/C6NJ03268K","","","0.71073","MoKα","","0.0282","0.0219","","","0.0523","0.0549","","","","","","1.011","","","","has coordinates","191712","2020-10-21","18:00:00",""
"7055922","8.6636","0.0006","11.8031","0.0008","11.9525","0.0008","91.65","0.001","94.884","0.001","91.011","0.001","1217.04","0.14","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C6 H16 Cu4 N28 -","- C6 H16 Cu4 N28 -","- C12 H32 Cu8 N56 -","2","1","","Zeng, Ying; Liu, Sui-Jun; Liu, Cai-Ming; Xie, Yong-Rong; Du, Zi-Yi","Diversified magnetic behaviors of new nickel(ii) and copper(ii) azido coordination polymers templated by diethyl or triethyl amines","New J. Chem.","2017","41","3","1212","","10.1039/C6NJ03268K","","","0.71073","MoKα","","0.0208","0.0184","","","0.0458","0.0469","","","","","","1.057","","","","has coordinates","191712","2020-10-21","18:00:00",""
"7055923","5.536","0.005","10.628","0.005","11.77","0.005","90","","90","","90","","692.5","0.8","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- H4 Ni O8 V2 -","- H4 Ni O8 V2 -","- H16 Ni4 O32 V8 -","4","0.5","","Li, Ning; Zhang, Zhong; Liu, Yiwei; Lu, Ying; He, Danfeng; Xu, Li; Zhong, Xiahua; Liu, Shuxia","Magnetic and luminescence properties of an inorganic 3D nickel‒vanadium bimetallic framework","New J. Chem.","2017","41","3","1245","","10.1039/C6NJ03413F","","","0.71069","MoKα","","0.0212","0.0205","","","0.0471","0.0475","","","","","","1.008","","","","has coordinates","191713","2020-10-21","18:00:00",""
"7055924","10.406","0.0004","27.2442","0.0009","13.1722","0.0005","90","","102.395","0.001","90","","3647.3","0.2","296","2","296.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C3.52 H2.55 Cd0.36 N0.12 O2.3 Si0.12 -","- C3.51515 H2.54545 Cd0.363636 N0.121212 O2.30303 Si0.121212 -","- C116 H84 Cd12 N4 O76 Si4 -","33","8.25","","Tian, Hong-Rui; Gao, Chao-Ying; Yang, Yang; Ai, Jing; Liu, Chao; Xu, Zhen-Guo; Sun, Zhong-Ming","A microporous Cd-MOF based on a hexavalent silicon-centred connector and luminescence sensing of small molecules","New J. Chem.","2017","41","3","1137","","10.1039/C6NJ03470E","","","0.71073","MoKα","","0.0385","0.0318","","","0.0817","0.0848","","","","","","1.07","","","","has coordinates","191711","2020-10-21","18:00:00",""
"7055925","17.3071","0.0006","17.3071","0.0006","28.5287","0.0012","90","","90","","90","","8545.4","0.6","100","2","100","2","","","","","","","","6","I 4/m","-I 4","87","","","","- C122 H186 Cu2 N24 O43 S13 -","- C104 H88 Cu2 N24 O20 S4 -","- C208 H176 Cu4 N48 O40 S8 -","2","0.125","","Adarsh, N. N.; Chakraborty, Amarnath; Tarrés, Màrius; Dey, Surjendu; Novio, Fernando; Chattopadhyay, Basab; Ribas, Xavi; Ruiz-Molina, Daniel","Ligand and solvent effects in the formation and self-assembly of a metallosupramolecular cage","New J. Chem.","2017","41","3","1179","","10.1039/C6NJ03456J","","","0.71073","MoKα","","0.0787","0.0677","","","0.1993","0.2113","","","","","","0.97","","","","has coordinates","191705","2020-10-21","18:00:00",""
"7055926","14.456","0.005","20.541","0.007","22.843","0.009","73.881","0.009","79.477","0.01","88.62","0.009","6404","4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C108 H146 Cu2 N24 O37 S2 -","- C108 Cu2 N24 O29 S2 -","- C216 Cu4 N48 O58 S4 -","2","1","","Adarsh, N. N.; Chakraborty, Amarnath; Tarrés, Màrius; Dey, Surjendu; Novio, Fernando; Chattopadhyay, Basab; Ribas, Xavi; Ruiz-Molina, Daniel","Ligand and solvent effects in the formation and self-assembly of a metallosupramolecular cage","New J. Chem.","2017","41","3","1179","","10.1039/C6NJ03456J","","","0.71073","MoKα","","0.1235","0.0964","","","0.2381","0.2596","","","","","","1.09","","","","has coordinates","191705","2020-10-21","18:00:00",""
"7055927","12.979","0.004","8.793","0.002","16.272","0.005","90","","111.842","0.008","90","","1723.7","0.9","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H32 Cl2 Cu3 N4 O12 -","- C32 H32 Cl2 Cu3 N4 O12 -","- C64 H64 Cl4 Cu6 N8 O24 -","2","0.5","","Das, Sanju; Sarkar, Yeasmin; Majumder, Rini; Mukherjee, Santanu; Bandyopadhyay, Jaya; Ray, Ambarish; Parui, Partha Pratim","A unique cysteine selective water soluble fluorescent probe operable in multiple sensing cycles for the detection of biogenic cysteine in multicellular living species","New J. Chem.","2017","41","4","1488","","10.1039/C6NJ03291E","","","0.71073","MoKα","","0.0439","0.0365","","","0.1074","0.1208","","","","","","1.149","","","","has coordinates","301851","2025-08-21","20:32:54",""
"7055928","15.879","0.003","9.6304","0.0017","17.698","0.003","90","","111.401","0.003","90","","2519.8","0.8","213","2","213","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H29 F3 N2 O3 S -","- C24 H29 F3 N2 O3 S -","- C96 H116 F12 N8 O12 S4 -","4","1","","Zhang, Caiyun; Zhang, Fan; Lv, Shichang; Shi, Min; Zhang, Jun","Facile syntheses of N-heterocyclic carbene precursors through Cu(ii)- or Ag(i)-catalyzed amination of N-alkynyl formamidines","New J. Chem.","2017","41","5","1889","","10.1039/C6NJ03276A","","","0.71073","MoKα","","0.1089","0.0738","","","0.2176","0.2508","","","","","","1.026","","","","has coordinates","301851","2025-08-21","20:32:54",""
"7055929","20.338","0.007","16.179","0.005","21.087","0.007","90","","90","","90","","6939","4","293","2","293","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C30 H41 Cl2 F3 N2 O3 S -","- C30 H41 Cl2 F3 N2 O3 S -","- C240 H328 Cl16 F24 N16 O24 S8 -","8","1","","Zhang, Caiyun; Zhang, Fan; Lv, Shichang; Shi, Min; Zhang, Jun","Facile syntheses of N-heterocyclic carbene precursors through Cu(ii)- or Ag(i)-catalyzed amination of N-alkynyl formamidines","New J. Chem.","2017","41","5","1889","","10.1039/C6NJ03276A","","","0.71073","MoKα","","0.1718","0.073","","","0.1881","0.2294","","","","","","0.911","","","","has coordinates","301851","2025-08-21","20:32:54",""
"7055930","11.655","0.005","9.012","0.004","12.686","0.005","90","","115.981","0.004","90","","1197.8","0.9","196","2","196","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","methylpyrrolidinium salicylate","","- C12 H17 N O3 -","- C12 H17 N O3 -","- C48 H68 N4 O12 -","4","1","","Zavgorodnya, Oleksandra; Shamshina, Julia L.; Mittenthal, Max; McCrary, Parker D.; Rachiero, Giovanni P.; Titi, Hatem M.; Rogers, Robin D.","Polyethylene glycol derivatization of the non-active ion in active pharmaceutical ingredient ionic liquids enhances transdermal delivery","New J. Chem.","2017","41","4","1499","","10.1039/C6NJ03709G","","","0.71073","MoKα","","0.0627","0.0506","","","0.1395","0.1509","","","","","","1.037","","","","has coordinates","301851","2025-08-21","20:32:54",""
"7055931","8.2203","0.0003","17.0001","0.0007","21.4579","0.0008","72.425","0.004","85","0.003","84.651","0.003","2840.7","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H28 Au Br N2 O4 -","- C30 H28 Au Br N2 O4 -","- C120 H112 Au4 Br4 N8 O16 -","4","2","","Rendón-Nava, David; Mendoza-Espinosa, Daniel; Negrón-Silva, Guillermo E.; Téllez-Arreola, José Luis; Martínez-Torres, Ataúlfo; Valdez-Calderón, Alejandro; González-Montiel, Simplicio","Chrysin functionalized NHC‒Au(i) complexes: synthesis, characterization and effects on the nematode Caenorhabditis elegans","New J. Chem.","2017","41","5","2013","","10.1039/C6NJ03299K","","","1.54178","CuKα","","0.0554","0.0449","","","0.1207","0.1305","","","","","","1.041","","","","has coordinates","193873","2020-10-21","18:00:00",""
"7055932","9.1831","0.0006","10.8161","0.0006","29.4087","0.0015","90","","91.0802","0.0013","90","","2920.5","0.3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C31 H30 Au Br N2 O4 -","- C31 H30 Au Br N2 O4 -","- C124 H120 Au4 Br4 N8 O16 -","4","1","","Rendón-Nava, David; Mendoza-Espinosa, Daniel; Negrón-Silva, Guillermo E.; Téllez-Arreola, José Luis; Martínez-Torres, Ataúlfo; Valdez-Calderón, Alejandro; González-Montiel, Simplicio","Chrysin functionalized NHC‒Au(i) complexes: synthesis, characterization and effects on the nematode Caenorhabditis elegans","New J. Chem.","2017","41","5","2013","","10.1039/C6NJ03299K","","","1.54178","CuKα","","0.048","0.0419","","","0.1117","0.1169","","","","","","1.083","","","","has coordinates","193873","2020-10-21","18:00:00",""
"7055933","10.7343","0.0006","11.1683","0.0006","14.4997","0.0012","106.064","0.005","102.815","0.005","104.401","0.004","1537.03","0.19","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H68 Cl14 N6 O12 Ti3 -","- C34 H68 Cl14 N6 O12 Ti3 -","- C34 H68 Cl14 N6 O12 Ti3 -","1","0.5","","Bortoluzzi, Marco; Bresciani, Giulio; Marchetti, Fabio; Pampaloni, Guido; Zacchini, Stefano","Synthesis and structural characterization of mixed halide‒N,N-diethylcarbamates of group 4 metals, including a case of unusual tetrahydrofuran activation","New J. Chem.","2017","41","4","1781","","10.1039/C6NJ03489F","","","0.71073","MoKα","","0.0846","0.0428","","","0.0886","0.1075","","","","","","1.02","","","","has coordinates","193876","2020-10-21","18:00:00",""
"7055934","8.6586","0.0009","13.0597","0.0014","14.2197","0.0015","82.059","0.008","76.615","0.007","78.133","0.007","1523.9","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H90 Cl10 N20 Ti -","- C34 H90 Cl10 N20 Ti -","- C34 H90 Cl10 N20 Ti -","1","0.5","","Bortoluzzi, Marco; Bresciani, Giulio; Marchetti, Fabio; Pampaloni, Guido; Zacchini, Stefano","Synthesis and structural characterization of mixed halide‒N,N-diethylcarbamates of group 4 metals, including a case of unusual tetrahydrofuran activation","New J. Chem.","2017","41","4","1781","","10.1039/C6NJ03489F","","","0.71073","MoKα","","0.117","0.0869","","","0.226","0.2456","","","","","","1.106","","","","has coordinates","193876","2020-10-21","18:00:00",""
"7055935","11.5959","0.0012","18.794","0.002","14.538","0.0016","90","","102.888","0.003","90","","3088.5","0.6","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C38 H74 Cl4 Hf4 N6 O18 -","- C38 H74 Cl4 Hf4 N6 O18 -","- C76 H148 Cl8 Hf8 N12 O36 -","2","0.5","","Bortoluzzi, Marco; Bresciani, Giulio; Marchetti, Fabio; Pampaloni, Guido; Zacchini, Stefano","Synthesis and structural characterization of mixed halide‒N,N-diethylcarbamates of group 4 metals, including a case of unusual tetrahydrofuran activation","New J. Chem.","2017","41","4","1781","","10.1039/C6NJ03489F","","","0.71073","MoKα","","0.0935","0.0635","","","0.151","0.1701","","","","","","1.024","","","","has coordinates,has disorder","193876","2020-10-21","18:00:00",""
"7055936","23.112","0.006","9.1","0.002","19.022","0.005","90","","99.852","0.005","90","","3941.7","1.7","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C38 H23 B F24 N2 -","- C38 H23 B F24 N2 -","- C152 H92 B4 F96 N8 -","4","0.5","","Levason, William; Pugh, David; Reid, Gillian","Imidazolium-based ionic liquids with large weakly coordinating anions","New J. Chem.","2017","41","4","1677","","10.1039/C6NJ03674K","","","0.71075","MoKα","","0.0857","0.0769","","","0.2055","0.2144","","","","","","1.043","","","","has coordinates,has disorder","193878","2020-10-21","18:00:00",""
"7055937","23.113","0.015","9.231","0.006","19.075","0.012","90","","100.128","0.011","90","","4006","4","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C39 H25 B F24 N2 -","- C39 H25 B F24 N2 -","- C156 H100 B4 F96 N8 -","4","0.5","","Levason, William; Pugh, David; Reid, Gillian","Imidazolium-based ionic liquids with large weakly coordinating anions","New J. Chem.","2017","41","4","1677","","10.1039/C6NJ03674K","","","0.71075","MoKα","","0.1232","0.0877","","","0.136","0.1516","","","","","","1.171","","","","has coordinates,has disorder","193878","2020-10-21","18:00:00",""
"7055938","18.901","0.009","13.222","0.007","16.877","0.009","90","","97.131","0.01","90","","4185","4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H31 B F24 N2 -","- C42 H31 B F24 N2 -","- C168 H124 B4 F96 N8 -","4","1","","Levason, William; Pugh, David; Reid, Gillian","Imidazolium-based ionic liquids with large weakly coordinating anions","New J. Chem.","2017","41","4","1677","","10.1039/C6NJ03674K","","","0.71073","MoKα","","0.1188","0.083","","","0.1579","0.1797","","","","","","1.128","","","","has coordinates","301851","2025-08-21","20:32:54",""
"7055939","16.4634","0.001","17.5859","0.001","18.2282","0.0013","110.823","0.008","103.281","0.007","110.957","0.008","4203.9","0.8","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C41 H32 B F24 N -","- C41 H32 B F24 N -","- C164 H128 B4 F96 N4 -","4","2","","Levason, William; Pugh, David; Reid, Gillian","Imidazolium-based ionic liquids with large weakly coordinating anions","New J. Chem.","2017","41","4","1677","","10.1039/C6NJ03674K","","","0.71075","MoKα","","0.1608","0.0824","","","0.1619","0.1947","","","","","","1.026","","","","has coordinates,has disorder","301851","2025-08-21","20:32:54",""
"7055940","12.2647","0.0005","13.6343","0.0005","14.9811","0.0005","76.854","0.003","75.421","0.003","67.846","0.004","2220.82","0.16","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C43 H27 B Cl2 F24 N2 -","- C43 H27 B Cl2 F24 N2 -","- C86 H54 B2 Cl4 F48 N4 -","2","1","","Levason, William; Pugh, David; Reid, Gillian","Imidazolium-based ionic liquids with large weakly coordinating anions","New J. Chem.","2017","41","4","1677","","10.1039/C6NJ03674K","","","0.71075","MoKα","","0.0911","0.0729","","","0.2019","0.2187","","","","","","1.019","","","","has coordinates,has disorder","301851","2025-08-21","20:32:54",""
"7055941","18.685","0.003","17.676","0.002","19.68","0.003","90","","118.318","0.002","90","","5722","1.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C59 H49 B F24 N2 -","- C59 H49 B F24 N2 -","- C236 H196 B4 F96 N8 -","4","1","","Levason, William; Pugh, David; Reid, Gillian","Imidazolium-based ionic liquids with large weakly coordinating anions","New J. Chem.","2017","41","4","1677","","10.1039/C6NJ03674K","","","0.71075","MoKα","","0.0707","0.0454","","","0.1103","0.1206","","","","","","0.988","","","","has coordinates,has disorder","301851","2025-08-21","20:32:54",""
"7055942","11.724","0.004","15.811","0.005","18.68","0.006","90","","99.958","0.005","90","","3410.5","1.9","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H11 Al F36 N2 O4 -","- C22 H11 Al F36 N2 O4 -","- C88 H44 Al4 F144 N8 O16 -","4","1","","Levason, William; Pugh, David; Reid, Gillian","Imidazolium-based ionic liquids with large weakly coordinating anions","New J. Chem.","2017","41","4","1677","","10.1039/C6NJ03674K","","","0.71075","MoKα","","0.0643","0.0552","","","0.1003","0.104","","","","","","1.201","","","","has coordinates,has disorder","193878","2020-10-21","18:00:00",""
"7055943","9.544","0.005","12.396","0.007","15.641","0.009","88.23","0.02","82.22","0.019","78.052","0.019","1793.7","1.7","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H13 Al F36 N2 O4 -","- C23 H13 Al F36 N2 O4 -","- C46 H26 Al2 F72 N4 O8 -","2","1","","Levason, William; Pugh, David; Reid, Gillian","Imidazolium-based ionic liquids with large weakly coordinating anions","New J. Chem.","2017","41","4","1677","","10.1039/C6NJ03674K","","","0.71075","MoKα","","0.1015","0.0685","","","0.1262","0.1426","","","","","","1.155","","","","has coordinates,has disorder","193878","2020-10-21","18:00:00",""
"7055944","8.48","0.0017","25.563","0.005","9.97","0.002","90","","99.16","0.03","90","","2133.7","0.8","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H27 N O4 -","- C25 H27 N O4 -","- C100 H108 N4 O16 -","4","1","","Voskressensky, Leonid G.; Titov, Alexander A.; Dzhankaziev, Maksad S.; Borisova, Tatiana N.; Kobzev, Maxim S.; Dorovatovskii, Pavel V.; Khrustalev, Victor N.; Aksenov, Alexander V.; Varlamov, Alexey V.","First synthesis of heterocyclic allenes – benzazecine derivatives","New J. Chem.","2017","41","5","1902","","10.1039/C6NJ03403A","","","0.9699","synchrotron","","0.0594","0.0477","","","0.1247","0.134","","","","","","1.055","","","","has coordinates","301851","2025-08-21","20:32:54",""
"7055945","14.998","0.005","8.7997","0.0004","23.691","0.008","90","","148.87","0.08","90","","1616","4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H22 N4 O6 Zn -","- C10 H22 N4 O6 Zn -","- C40 H88 N16 O24 Zn4 -","4","1","","Bolotin, Dmitrii S.; Il'in, Mikhail V.; Novikov, Alexander S.; Bokach, Nadezhda A.; Suslonov, Vitalii V.; Kukushkin, Vadim Yu.","Trinuclear (aminonitrone)ZnII complexes as key intermediates in zinc(ii)-mediated generation of 1,2,4-oxadiazoles from amidoximes and nitriles","New J. Chem.","2017","41","5","1940","","10.1039/C6NJ03508F","","","0.71073","MoKα","","0.0266","0.0226","","","0.06","0.0629","","","","","","1.053","","","","has coordinates","301851","2025-08-21","20:32:54",""
"7055946","32.755","0.0017","10.5714","0.0005","13.5063","0.0006","90","","110.305","0.004","90","","4386.2","0.4","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C18 H20 Cl2 N4 O6 Zn -","- C18 H20 Cl2 N4 O6 Zn -","- C144 H160 Cl16 N32 O48 Zn8 -","8","1","","Bolotin, Dmitrii S.; Il'in, Mikhail V.; Novikov, Alexander S.; Bokach, Nadezhda A.; Suslonov, Vitalii V.; Kukushkin, Vadim Yu.","Trinuclear (aminonitrone)ZnII complexes as key intermediates in zinc(ii)-mediated generation of 1,2,4-oxadiazoles from amidoximes and nitriles","New J. Chem.","2017","41","5","1940","","10.1039/C6NJ03508F","","","0.71073","MoKα","","0.0471","0.0402","","","0.1001","0.1039","","","","","","1.08","","","","has coordinates","301851","2025-08-21","20:32:54",""
"7055947","8.7052","0.0005","12.9506","0.0006","17.0474","0.0007","108.023","0.004","90.814","0.004","95.484","0.004","1817.27","0.16","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C24 H32 Cl2 F6 N8 O9 S2 Zn -","- C24 H32 Cl2 F6 N8 O9 S2 Zn -","- C48 H64 Cl4 F12 N16 O18 S4 Zn2 -","2","1","","Bolotin, Dmitrii S.; Il'in, Mikhail V.; Novikov, Alexander S.; Bokach, Nadezhda A.; Suslonov, Vitalii V.; Kukushkin, Vadim Yu.","Trinuclear (aminonitrone)ZnII complexes as key intermediates in zinc(ii)-mediated generation of 1,2,4-oxadiazoles from amidoximes and nitriles","New J. Chem.","2017","41","5","1940","","10.1039/C6NJ03508F","","","0.71073","MoKα","","0.0688","0.0509","","","0.1203","0.1342","","","","","","1.045","","","","has coordinates","301851","2025-08-21","20:32:54",""
"7055948","16.8415","0.0003","20.4363","0.0004","16.1946","0.0003","90","","90","","90","","5573.82","0.18","100","2","100","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C14 H28 F6 N8 O8 S2 Zn -","- C14 H28 F6 N8 O8 S2 Zn -","- C112 H224 F48 N64 O64 S16 Zn8 -","8","2","","Bolotin, Dmitrii S.; Il'in, Mikhail V.; Novikov, Alexander S.; Bokach, Nadezhda A.; Suslonov, Vitalii V.; Kukushkin, Vadim Yu.","Trinuclear (aminonitrone)ZnII complexes as key intermediates in zinc(ii)-mediated generation of 1,2,4-oxadiazoles from amidoximes and nitriles","New J. Chem.","2017","41","5","1940","","10.1039/C6NJ03508F","","","0.71073","MoKα","","0.0489","0.042","","","0.0983","0.1023","","","","","","1.046","","","","has coordinates,has disorder","301851","2025-08-21","20:32:54",""
"7055949","11.8893","0.0013","18.4419","0.0014","7.2746","0.0007","90","","103.177","0.011","90","","1553","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C9 H19 F3 N4 O4 S -","- C9 H19 F3 N4 O4 S -","- C36 H76 F12 N16 O16 S4 -","4","1","","Bolotin, Dmitrii S.; Il'in, Mikhail V.; Novikov, Alexander S.; Bokach, Nadezhda A.; Suslonov, Vitalii V.; Kukushkin, Vadim Yu.","Trinuclear (aminonitrone)ZnII complexes as key intermediates in zinc(ii)-mediated generation of 1,2,4-oxadiazoles from amidoximes and nitriles","New J. Chem.","2017","41","5","1940","","10.1039/C6NJ03508F","","","0.71073","MoKα","","0.074","0.0494","","","0.1108","0.1229","","","","","","1.055","","","","has coordinates","301851","2025-08-21","20:32:54",""
"7055950","16.7859","0.0005","8.3599","0.0002","21.9907","0.0005","90","","90.745","0.002","90","","3085.66","0.14","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C11 H15 F3 N4 O4 S -","- C11 H15 F3 N4 O4 S -","- C88 H120 F24 N32 O32 S8 -","8","1","","Bolotin, Dmitrii S.; Il'in, Mikhail V.; Novikov, Alexander S.; Bokach, Nadezhda A.; Suslonov, Vitalii V.; Kukushkin, Vadim Yu.","Trinuclear (aminonitrone)ZnII complexes as key intermediates in zinc(ii)-mediated generation of 1,2,4-oxadiazoles from amidoximes and nitriles","New J. Chem.","2017","41","5","1940","","10.1039/C6NJ03508F","","","1.54184","CuKα","","0.063","0.0569","","","0.1174","0.1223","","","","","","1.032","","","","has coordinates","301851","2025-08-21","20:32:54",""
"7055951","11.955","0.002","17.5685","0.0011","15.782","0.003","90","","139.46","0.04","90","","2154.5","1.8","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H22 N4 O6 Zn -","- C18 H22 N4 O6 Zn -","- C72 H88 N16 O24 Zn4 -","4","1","","Bolotin, Dmitrii S.; Il'in, Mikhail V.; Novikov, Alexander S.; Bokach, Nadezhda A.; Suslonov, Vitalii V.; Kukushkin, Vadim Yu.","Trinuclear (aminonitrone)ZnII complexes as key intermediates in zinc(ii)-mediated generation of 1,2,4-oxadiazoles from amidoximes and nitriles","New J. Chem.","2017","41","5","1940","","10.1039/C6NJ03508F","","","0.71073","MoKα","","0.038","0.0299","","","0.0706","0.0748","","","","","","1.059","","","","has coordinates","301851","2025-08-21","20:32:54",""
"7055952","9.9101","0.0006","17.0394","0.0009","18.2463","0.0006","74.733","0.004","89.846","0.004","82.485","0.005","2945.2","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C36 H50 F12 N8 O26 S4 Zn3 -","- C36 H50 F12 N8 O26 S4 Zn3 -","- C72 H100 F24 N16 O52 S8 Zn6 -","2","1","","Bolotin, Dmitrii S.; Il'in, Mikhail V.; Novikov, Alexander S.; Bokach, Nadezhda A.; Suslonov, Vitalii V.; Kukushkin, Vadim Yu.","Trinuclear (aminonitrone)ZnII complexes as key intermediates in zinc(ii)-mediated generation of 1,2,4-oxadiazoles from amidoximes and nitriles","New J. Chem.","2017","41","5","1940","","10.1039/C6NJ03508F","","","1.54184","CuKα","","0.1152","0.0793","","","0.2065","0.2495","","","","","","1.02","","","","has coordinates","301851","2025-08-21","20:32:54",""
"7055953","10.0651","0.0014","12.301","0.0017","16.281","0.002","90","","93.537","0.002","90","","2011.9","0.5","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H15 Cu N5 O8 -","- C18 H15 Cu N5 O8 -","- C72 H60 Cu4 N20 O32 -","4","1","","Hu, Kun; Li, Feiyan; Zhang, Zhong; Liang, Fupei","Synthesis of two potential anticancer copper(ii) complex drugs: their crystal structure, human serum albumin/DNA binding and anticancer mechanism","New J. Chem.","2017","41","5","2062","","10.1039/C6NJ02483A","","","0.71073","MoKα","","0.0432","0.0321","","","0.0864","0.0934","","","","","","1.041","","","","has coordinates,has disorder","301851","2025-08-21","20:32:54",""
"7055954","7.854","0.003","10.712","0.003","21.44","0.007","90","","97.575","0.006","90","","1788","1","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H16 Cu N4 O5 -","- C18 H16 Cu N4 O5 -","- C72 H64 Cu4 N16 O20 -","4","1","","Hu, Kun; Li, Feiyan; Zhang, Zhong; Liang, Fupei","Synthesis of two potential anticancer copper(ii) complex drugs: their crystal structure, human serum albumin/DNA binding and anticancer mechanism","New J. Chem.","2017","41","5","2062","","10.1039/C6NJ02483A","","","0.71073","MoKα","","0.0441","0.0346","","","0.0985","0.1069","","","","","","1.073","","","","has coordinates","301851","2025-08-21","20:32:54",""
"7055955","11.3213","0.0006","11.3226","0.0006","22.7583","0.0012","76.496","0.002","84.96","0.002","60.21","0.001","2460.4","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H37 Cu2 N6 O12 -","- C14 H37 Cu2 N6 O12 -","- C56 H148 Cu8 N24 O48 -","4","2","","Sama, Farasha; Ansari, Istikhar A.; Raizada, Mukul; Ahmad, Musheer; Nagaraja, C. M.; Shahid, M.; Kumar, Abhinav; Khan, Kulsum; Siddiqi, Zafar A.","Design, structures and study of non-covalent interactions of mono-, di-, and tetranuclear complexes of a bifurcated quadridentate tripod ligand, N-(aminopropyl)-diethanolamine","New J. Chem.","2017","41","5","1959","","10.1039/C6NJ02562E","","","0.71073","MoKα","","0.0363","0.0335","","","0.0828","0.0845","","","","","","1.0562","","","","has coordinates","193869","2020-10-21","18:00:00",""
"7055956","16.48","0.0012","13.6513","0.001","14.4161","0.001","90","","115.185","0.002","90","","2934.9","0.4","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C9 H19 N4 Ni O2.5 S2 -","- C9 H19 N4 Ni O2.5 S2 -","- C72 H152 N32 Ni8 O20 S16 -","8","2","","Sama, Farasha; Ansari, Istikhar A.; Raizada, Mukul; Ahmad, Musheer; Nagaraja, C. M.; Shahid, M.; Kumar, Abhinav; Khan, Kulsum; Siddiqi, Zafar A.","Design, structures and study of non-covalent interactions of mono-, di-, and tetranuclear complexes of a bifurcated quadridentate tripod ligand, N-(aminopropyl)-diethanolamine","New J. Chem.","2017","41","5","1959","","10.1039/C6NJ02562E","","","0.71073","MoKα","","0.1126","0.0545","","","0.0902","0.1081","","","","","","1.0759","","","","has coordinates","301851","2025-08-21","20:32:54",""
"7055957","8.6719","0.0007","10.0649","0.0007","11.3026","0.0007","89.096","0.005","79.802","0.006","65.87","0.007","884.33","0.12","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C11 H23 N3 O5 S Zn2 -","- C11 H23 N3 O5 S Zn2 -","- C22 H46 N6 O10 S2 Zn4 -","2","1","","Sama, Farasha; Ansari, Istikhar A.; Raizada, Mukul; Ahmad, Musheer; Nagaraja, C. M.; Shahid, M.; Kumar, Abhinav; Khan, Kulsum; Siddiqi, Zafar A.","Design, structures and study of non-covalent interactions of mono-, di-, and tetranuclear complexes of a bifurcated quadridentate tripod ligand, N-(aminopropyl)-diethanolamine","New J. Chem.","2017","41","5","1959","","10.1039/C6NJ02562E","","","0.71073","MoKα","","0.0534","0.041","","","0.0964","0.1062","","","","","","1.0465","","","","has coordinates","301851","2025-08-21","20:32:54",""
"7055958","15.2182","0.0003","14.6493","0.0003","23.9361","0.0005","90","","90","","90","","5336.22","0.19","296","2","296.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H39 Co2 N7 O16 -","- C14 H39 Co2 N7 O16 -","- C112 H312 Co16 N56 O128 -","8","1","","Sama, Farasha; Ansari, Istikhar A.; Raizada, Mukul; Ahmad, Musheer; Nagaraja, C. M.; Shahid, M.; Kumar, Abhinav; Khan, Kulsum; Siddiqi, Zafar A.","Design, structures and study of non-covalent interactions of mono-, di-, and tetranuclear complexes of a bifurcated quadridentate tripod ligand, N-(aminopropyl)-diethanolamine","New J. Chem.","2017","41","5","1959","","10.1039/C6NJ02562E","","","0.71073","MoKα","","0.0496","0.0348","","","0.0829","0.0916","","","","","","1.046","","","","has coordinates","193869","2020-10-21","18:00:00",""
"7055959","8.795","0.0008","12.132","0.002","14.2294","0.0015","103.245","0.011","96.276","0.008","111.032","0.012","1348.4","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H36 Co2 N7 O8.5 S2 -","- C16 H36 Co2 N7 O8.5 S2 -","- C32 H72 Co4 N14 O17 S4 -","2","1","","Sama, Farasha; Ansari, Istikhar A.; Raizada, Mukul; Ahmad, Musheer; Nagaraja, C. M.; Shahid, M.; Kumar, Abhinav; Khan, Kulsum; Siddiqi, Zafar A.","Design, structures and study of non-covalent interactions of mono-, di-, and tetranuclear complexes of a bifurcated quadridentate tripod ligand, N-(aminopropyl)-diethanolamine","New J. Chem.","2017","41","5","1959","","10.1039/C6NJ02562E","","","0.71073","MoKα","","0.0868","0.0577","","","0.1467","0.175","","","","","","1.0777","","","","has coordinates","301851","2025-08-21","20:32:54",""
"7055960","7.0886","0.0003","11.8816","0.0006","32.9373","0.0017","90","","90","","90","","2774.1","0.2","123","2","123","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C12 H13 Ag0.87 N2 Na0.13 O6 S -","- C12 H13 Ag0.867 N2 Na0.133 O6 S -","- C96 H104 Ag6.936 N16 Na1.064 O48 S8 -","8","1","","Dodds, Christopher A.; Hobday, Claire L.; Kennedy, Alan R.; McKellar, Scott C.; Smillie, Katy; Walls, Aiden","Ag(i) bipyridyl coordination polymers containing functional anions","New J. Chem.","2017","41","4","1574","","10.1039/C6NJ03555H","","","0.71073","MoKα","","0.0582","0.0319","","","0.0528","0.0599","","","","","","1.02","","","","has coordinates","193879","2020-10-21","18:00:00",""
"7055961","8.3838","0.0002","9.7225","0.0003","14.934","0.0004","90","","94.352","0.002","90","","1213.78","0.06","123","2","123","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H9 Ag N2 O4 S -","- C12 H9 Ag N2 O4 S -","- C48 H36 Ag4 N8 O16 S4 -","4","1","","Dodds, Christopher A.; Hobday, Claire L.; Kennedy, Alan R.; McKellar, Scott C.; Smillie, Katy; Walls, Aiden","Ag(i) bipyridyl coordination polymers containing functional anions","New J. Chem.","2017","41","4","1574","","10.1039/C6NJ03555H","","","0.71073","MoKα","","0.0326","0.0229","","","0.0456","0.0485","","","","","","1.067","","","","has coordinates","193879","2020-10-21","18:00:00",""
"7055962","13.3362","0.0006","16.5265","0.0008","20.1331","0.0007","66.518","0.004","75.035","0.003","89.409","0.004","3910.3","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H35 Ag Cl4 N6 O4 -","- C42 H35 Ag Cl4 N6 O4 -","- C168 H140 Ag4 Cl16 N24 O16 -","4","2","","Dodds, Christopher A.; Hobday, Claire L.; Kennedy, Alan R.; McKellar, Scott C.; Smillie, Katy; Walls, Aiden","Ag(i) bipyridyl coordination polymers containing functional anions","New J. Chem.","2017","41","4","1574","","10.1039/C6NJ03555H","","","0.71075","MoKα","","0.077","0.0451","","","0.0938","0.1053","","","","","","1.017","","","","has coordinates","193879","2020-10-21","18:00:00",""
"7055963","8.12","0.0006","9.7869","0.0006","21.6736","0.0016","90","","97.433","0.007","90","","1707.9","0.2","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H15 Ag N4 O3 -","- C19 H15 Ag N4 O3 -","- C76 H60 Ag4 N16 O12 -","4","1","","Dodds, Christopher A.; Hobday, Claire L.; Kennedy, Alan R.; McKellar, Scott C.; Smillie, Katy; Walls, Aiden","Ag(i) bipyridyl coordination polymers containing functional anions","New J. Chem.","2017","41","4","1574","","10.1039/C6NJ03555H","","","0.71073","MoKα","","0.0339","0.0285","","","0.0664","0.0693","","","","","","1.051","","","","has coordinates","193879","2020-10-21","18:00:00",""
"7055964","11.1773","0.0004","11.6004","0.0004","12.188","0.0004","81.629","0.002","73.899","0.002","70.341","0.002","1427.43","0.09","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C27.5 H25.5 Ag Cl0.99 N6.51 O4 S -","- C27.507 H23.986 Ag Cl0.986 N6.507 O4 S -","- C55.014 H47.972 Ag2 Cl1.972 N13.014 O8 S2 -","2","1","","Dodds, Christopher A.; Hobday, Claire L.; Kennedy, Alan R.; McKellar, Scott C.; Smillie, Katy; Walls, Aiden","Ag(i) bipyridyl coordination polymers containing functional anions","New J. Chem.","2017","41","4","1574","","10.1039/C6NJ03555H","","","0.71073","MoKα","","0.0624","0.0392","","","0.0831","0.0917","","","","","","1.035","","","","has coordinates,has disorder","193879","2020-10-21","18:00:00",""
"7055965","7.1538","0.0005","12.9587","0.0015","13.2859","0.0014","67.835","0.01","82.451","0.007","76.606","0.008","1108.3","0.2","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H19 Ag N6 O3 -","- C25 H19 Ag N6 O3 -","- C50 H38 Ag2 N12 O6 -","2","1","","Dodds, Christopher A.; Hobday, Claire L.; Kennedy, Alan R.; McKellar, Scott C.; Smillie, Katy; Walls, Aiden","Ag(i) bipyridyl coordination polymers containing functional anions","New J. Chem.","2017","41","4","1574","","10.1039/C6NJ03555H","","","1.5418","CuKα","","0.1149","0.1044","","","0.2873","0.2934","","","","","","1.066","","","","has coordinates","193879","2020-10-21","18:00:00",""
"7055966","6.8116","0.0001","13.5608","0.0002","28.7557","0.0006","95.438","0.002","95.833","0.002","96.716","0.002","2608.96","0.08","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C26.64 H21.14 Ag Cl2.72 N5.14 O2 -","- C26.6375 H21.1375 Ag Cl2.725 N5.1375 O2 -","- C106.55 H84.55 Ag4 Cl10.9 N20.55 O8 -","4","2","","Dodds, Christopher A.; Hobday, Claire L.; Kennedy, Alan R.; McKellar, Scott C.; Smillie, Katy; Walls, Aiden","Ag(i) bipyridyl coordination polymers containing functional anions","New J. Chem.","2017","41","4","1574","","10.1039/C6NJ03555H","","","0.71075","MoKα","","0.0304","0.0247","","","0.0546","0.0567","","","","","","1.049","","","","has coordinates,has disorder","193879","2020-10-21","18:00:00",""
"7055967","7.1227","0.0003","11.9399","0.0002","32.5608","0.0009","90","","90","","90","","2769.11","0.15","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C12 H13 N2 Na O6 S -","- C12 H13 N2 Na O6 S -","- C96 H104 N16 Na8 O48 S8 -","8","1","","Dodds, Christopher A.; Hobday, Claire L.; Kennedy, Alan R.; McKellar, Scott C.; Smillie, Katy; Walls, Aiden","Ag(i) bipyridyl coordination polymers containing functional anions","New J. Chem.","2017","41","4","1574","","10.1039/C6NJ03555H","","","0.71073","MoKα","","0.1145","0.0473","","","0.0911","0.1052","","","","","","0.991","","","","has coordinates","193879","2020-10-21","18:00:00",""
"7055968","10.0038","0.0005","13.377","0.0007","14.2918","0.0008","71.64","0.003","78.179","0.003","78.327","0.003","1757.03","0.16","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H15 Ag N4 O3 -","- C19 H15 Ag N4 O3 -","- C76 H60 Ag4 N16 O12 -","4","2","","Dodds, Christopher A.; Hobday, Claire L.; Kennedy, Alan R.; McKellar, Scott C.; Smillie, Katy; Walls, Aiden","Ag(i) bipyridyl coordination polymers containing functional anions","New J. Chem.","2017","41","4","1574","","10.1039/C6NJ03555H","","","0.71073","MoKα","","0.1301","0.0635","","","0.1258","0.1439","","","","","","0.982","","","","has coordinates","193879","2020-10-21","18:00:00",""
"7055969","7.1356","0.0005","14.0212","0.0011","15.4526","0.0009","109.697","0.004","101.688","0.003","98.473","0.003","1385.86","0.17","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H26 Ag N7 O4 S -","- C28 H26 Ag N7 O4 S -","- C56 H52 Ag2 N14 O8 S2 -","2","1","","Dodds, Christopher A.; Hobday, Claire L.; Kennedy, Alan R.; McKellar, Scott C.; Smillie, Katy; Walls, Aiden","Ag(i) bipyridyl coordination polymers containing functional anions","New J. Chem.","2017","41","4","1574","","10.1039/C6NJ03555H","","","0.71073","MoKα","","0.1008","0.0567","","","0.0841","0.0932","","","","","","1.052","","","","has coordinates","193879","2020-10-21","18:00:00",""
"7055970","6.7135","0.0006","6.7702","0.0006","8.1378","0.0007","80.267","0.003","76.307","0.003","74.335","0.003","343.82","0.05","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C6 H8 N10 O10 -","- C6 H8 N10 O10 -","- C6 H8 N10 O10 -","1","0.5","","Tian, Jiawei; Xiong, Hualin; Lin, Qiuhan; Cheng, Guangbin; Yang, Hongwei","Energetic compounds featuring bi(1,3,4-oxadiazole): a new family of insensitive energetic materials","New J. Chem.","2017","41","5","1918","","10.1039/C6NJ03608B","","","0.71073","MoKα","","0.0476","0.0338","","","0.0801","0.0855","","","","","","1.083","","","","has coordinates","193871","2020-10-21","18:00:00",""
"7055971","24.125","0.003","8.0141","0.001","10.8158","0.0011","90","","90","","90","","2091.1","0.4","168","2","168","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C8 H16 N18 O10 -","- C8 H16 N18 O10 -","- C32 H64 N72 O40 -","4","0.5","","Tian, Jiawei; Xiong, Hualin; Lin, Qiuhan; Cheng, Guangbin; Yang, Hongwei","Energetic compounds featuring bi(1,3,4-oxadiazole): a new family of insensitive energetic materials","New J. Chem.","2017","41","5","1918","","10.1039/C6NJ03608B","","","0.71073","MoKα","","0.1018","0.0415","","","0.0846","0.1026","","","","","","1.016","","","","has coordinates","193871","2020-10-21","18:00:00",""
"7055972","7.6518","0.0012","7.7243","0.001","9.0083","0.0012","95.49","0.004","106.941","0.004","117.039","0.004","437.09","0.11","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C10 H8 N14 O10 -","- C10 H8 N14 O10 -","- C10 H8 N14 O10 -","1","0.5","","Tian, Jiawei; Xiong, Hualin; Lin, Qiuhan; Cheng, Guangbin; Yang, Hongwei","Energetic compounds featuring bi(1,3,4-oxadiazole): a new family of insensitive energetic materials","New J. Chem.","2017","41","5","1918","","10.1039/C6NJ03608B","","","0.71073","MoKα","","0.0911","0.0441","","","0.083","0.0973","","","","","","1.011","","","","has coordinates","193871","2020-10-21","18:00:00",""
"7055973","9.8239","0.001","11.5351","0.0012","12.3691","0.0013","91.417","0.002","102.778","0.002","96.494","0.002","1356.4","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H22 Mo4 N6 O17 Zn -","- C14 H22 Mo4 N6 O17 Zn -","- C28 H44 Mo8 N12 O34 Zn2 -","2","1","","Wang, Xiu-Li; Zhang, Shan; Wang, Xiang; Zhang, Hui-Xiu; Xu, Na; Li, Tian-Jiao","Three β-octamolybdate-based supramolecular hybrids constructed from a bis-imidazolyl-bis-amide ligand: fast and selective adsorption activities of organic dyes","New J. Chem.","2017","41","5","2178","","10.1039/C6NJ03573F","","","0.71073","MoKα","","0.0817","0.0401","","","0.0779","0.091","","","","","","0.989","","","","has coordinates","193864","2020-10-21","18:00:00",""
"7055974","9.8153","0.0005","11.6524","0.0006","12.3272","0.0006","90.58","0.001","103.212","0.001","97.069","0.001","1361.06","0.12","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H22 Co Mo4 N6 O17 -","- C14 H20 Co Mo4 N6 O17 -","- C28 H40 Co2 Mo8 N12 O34 -","2","1","","Wang, Xiu-Li; Zhang, Shan; Wang, Xiang; Zhang, Hui-Xiu; Xu, Na; Li, Tian-Jiao","Three β-octamolybdate-based supramolecular hybrids constructed from a bis-imidazolyl-bis-amide ligand: fast and selective adsorption activities of organic dyes","New J. Chem.","2017","41","5","2178","","10.1039/C6NJ03573F","","","0.71073","MoKα","","0.0272","0.0228","","","0.0632","0.0652","","","","","","1.072","","","","has coordinates","193864","2020-10-21","18:00:00",""
"7055975","10.4739","0.0008","24.6254","0.0018","21.3617","0.0016","90","","90.085","0.001","90","","5509.7","0.7","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H46 Cu2 Mo8 N12 O35 -","- C28 H35 Cu2 Mo8 N12 O35 -","- C112 H140 Cu8 Mo32 N48 O140 -","4","1","","Wang, Xiu-Li; Zhang, Shan; Wang, Xiang; Zhang, Hui-Xiu; Xu, Na; Li, Tian-Jiao","Three β-octamolybdate-based supramolecular hybrids constructed from a bis-imidazolyl-bis-amide ligand: fast and selective adsorption activities of organic dyes","New J. Chem.","2017","41","5","2178","","10.1039/C6NJ03573F","","","0.71069","MoKα","","0.0797","0.0421","","","0.0809","0.0972","","","","","","0.968","","","","has coordinates","193864","2020-10-21","18:00:00",""
"7055976","23.654","0.006","8.738","0.002","8.595","0.002","90","","90","","90","","1776.5","0.7","296","2","296","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C10 H16 Br2 Cl3 Fe N4 O -","- C10 H16 Br2 Cl3 Fe N4 O -","- C40 H64 Br8 Cl12 Fe4 N16 O4 -","4","0.5","","Govor, Evgen V.; Sanakis, Yiannis; Raptis, Raphael G.","Synthesis of pyrazole (hemi)aminals via the cleavage of saturated aliphatic ether C‒O bonds in the presence of ferric halides","New J. Chem.","2017","41","6","2220","","10.1039/C6NJ03822K","","","0.71073","MoKα","","0.0448","0.031","","","0.082","0.0889","","","","","","1.066","","","","has coordinates","195156","2020-10-21","18:00:00",""
"7055977","19.167","0.017","19.167","0.017","16.153","0.015","90","","90","","90","","5934","9","296","2","296","2","","","","","","","","7","I 41/a :2","-I 4ad","88","","","","- C24 H28 Br8 Cl16 Fe2 N8 O -","- C24 H28 Br8 Cl16 Fe2 N8 O -","- C96 H112 Br32 Cl64 Fe8 N32 O4 -","4","0.25","","Govor, Evgen V.; Sanakis, Yiannis; Raptis, Raphael G.","Synthesis of pyrazole (hemi)aminals via the cleavage of saturated aliphatic ether C‒O bonds in the presence of ferric halides","New J. Chem.","2017","41","6","2220","","10.1039/C6NJ03822K","","","0.71073","MoKα","","0.116","0.063","","","0.1668","0.2057","","","","","","1.004","","","","has coordinates","195156","2020-10-21","18:00:00",""
"7055978","8.5983","0.0015","20.475","0.004","14.989","0.003","90","","100.778","0.002","90","","2592.3","0.9","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C16 H24 Cl6 Fe2 N4 O2 -","- C16 H24 Cl6 Fe2 N4 O2 -","- C64 H96 Cl24 Fe8 N16 O8 -","4","0.5","","Govor, Evgen V.; Sanakis, Yiannis; Raptis, Raphael G.","Synthesis of pyrazole (hemi)aminals via the cleavage of saturated aliphatic ether C‒O bonds in the presence of ferric halides","New J. Chem.","2017","41","6","2220","","10.1039/C6NJ03822K","","","0.71073","MoKα","","0.0353","0.029","","","0.0693","0.0725","","","","","","1.023","","","","has coordinates","195156","2020-10-21","18:00:00",""
"7055979","8.595","0.0006","9.6865","0.0007","15.7769","0.0011","90","","99.35","0.001","90","","1296.06","0.16","296","2","296","2","","","","","","","","7","P 1 2/n 1","-P 2yac","13","","","","- C14 H20 Cl4 Fe2 I2 N4 O2 -","- C14 H20 Cl4 Fe2 I2 N4 O2 -","- C28 H40 Cl8 Fe4 I4 N8 O4 -","2","0.5","","Govor, Evgen V.; Sanakis, Yiannis; Raptis, Raphael G.","Synthesis of pyrazole (hemi)aminals via the cleavage of saturated aliphatic ether C‒O bonds in the presence of ferric halides","New J. Chem.","2017","41","6","2220","","10.1039/C6NJ03822K","","","0.71073","MoKα","","0.0481","0.0324","","","0.0813","0.0906","","","","","","1.026","","","","has coordinates","195156","2020-10-21","18:00:00",""
"7055980","8.6395","0.0006","9.7711","0.0007","15.8621","0.0011","90","","103.665","0.001","90","","1301.13","0.16","296","2","296","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C14 H20 Br6 Fe2 N4 O2 -","- C14 H20 Br6 Fe2 N4 O2 -","- C28 H40 Br12 Fe4 N8 O4 -","2","0.5","","Govor, Evgen V.; Sanakis, Yiannis; Raptis, Raphael G.","Synthesis of pyrazole (hemi)aminals via the cleavage of saturated aliphatic ether C‒O bonds in the presence of ferric halides","New J. Chem.","2017","41","6","2220","","10.1039/C6NJ03822K","","","0.71073","MoKα","","0.0556","0.0341","","","0.0705","0.0784","","","","","","1.009","","","","has coordinates","195156","2020-10-21","18:00:00",""
"7055981","12.1777","0.0013","8.7316","0.0009","17.3452","0.0018","90","","92.407","0.001","90","","1842.7","0.3","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H16 Br2 Cl2 Fe N4 -","- C12 H16 Br2 Cl2 Fe N4 -","- C48 H64 Br8 Cl8 Fe4 N16 -","4","1","","Govor, Evgen V.; Sanakis, Yiannis; Raptis, Raphael G.","Synthesis of pyrazole (hemi)aminals via the cleavage of saturated aliphatic ether C‒O bonds in the presence of ferric halides","New J. Chem.","2017","41","6","2220","","10.1039/C6NJ03822K","","","0.71073","MoKα","","0.0565","0.0412","","","0.0952","0.1018","","","","","","1.046","","","","has coordinates","195156","2020-10-21","18:00:00",""
"7055982","12.247","0.004","8.932","0.003","17.42","0.005","90","","91.93","0.003","90","","1904.5","1","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H16 Br4 Fe N4 -","- C12 H16 Br4 Fe N4 -","- C48 H64 Br16 Fe4 N16 -","4","1","","Govor, Evgen V.; Sanakis, Yiannis; Raptis, Raphael G.","Synthesis of pyrazole (hemi)aminals via the cleavage of saturated aliphatic ether C‒O bonds in the presence of ferric halides","New J. Chem.","2017","41","6","2220","","10.1039/C6NJ03822K","","","0.71073","MoKα","","0.0564","0.0426","","","0.0977","0.1049","","","","","","1.036","","","","has coordinates","195156","2020-10-21","18:00:00",""
"7055983","24.487","0.003","8.7651","0.001","8.5302","0.001","90","","110.281","0.003","90","","1717.3","0.4","298","","298","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","EVG042","","","- C10 H16 Cl5 Fe N4 O -","- C10 H16 Cl5 Fe N4 O -","- C40 H64 Cl20 Fe4 N16 O4 -","4","0.5","","Govor, Evgen V.; Sanakis, Yiannis; Raptis, Raphael G.","Synthesis of pyrazole (hemi)aminals via the cleavage of saturated aliphatic ether C‒O bonds in the presence of ferric halides","New J. Chem.","2017","41","6","2220","","10.1039/C6NJ03822K","","","0.71073","MoKα","","0.0503","0.0428","","","0.0848","0.0889","","","","","","1.239","","","","has coordinates","195156","2020-10-21","18:00:00",""
"7055984","7.1985","0.001","11.4552","0.0016","14.805","0.002","78.169","0.005","81.599","0.005","88.276","0.004","1182.1","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H25 B F2 N2 -","- C30 H25 B F2 N2 -","- C60 H50 B2 F4 N4 -","2","1","","Maity, Apurba; Sarkar, Anirban; Sil, Amit; B. N., Shivakiran Bhaktha; Patra, Sanjib K.","Synthesis, photophysical and concentration-dependent tunable lasing behavior of 2,6-diacetylenyl-functionalized BODIPY dyes","New J. Chem.","2017","41","6","2296","","10.1039/C6NJ03033E","","","0.71073","MoKα","","0.1355","0.0593","","","0.1379","0.1773","","","","","","1.368","","","","has coordinates","301851","2025-08-21","20:32:54",""
"7055985","9.666","0.007","9.761","0.006","14.448","0.011","104.97","0.05","108.43","0.05","91.04","0.06","1241.9","1.6","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H36 N6 O5 S -","- C21 H36 N6 O5 S -","- C42 H72 N12 O10 S2 -","2","1","","Ke, Ya-Ting; Chou, Wei-Tzu; Chiang, Yi-Fen; Hsieh, Chang-Chih; Horng, Yih-Chern","Efficient and selective separation of aqueous sulfate through recognition and precipitation","New J. Chem.","2017","41","6","2249","","10.1039/C6NJ03710K","","","0.71073","MoKα","","0.1682","0.0624","","","0.1818","0.2251","","","","","","0.957","","","","has coordinates","301851","2025-08-21","20:32:54",""
"7055986","12.605","0.003","16.671","0.004","13.147","0.003","90","","99.243","0.013","90","","2726.8","1.1","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C27 H37 N7 O2 -","- C27 H37 N7 O2 -","- C108 H148 N28 O8 -","4","1","","Ke, Ya-Ting; Chou, Wei-Tzu; Chiang, Yi-Fen; Hsieh, Chang-Chih; Horng, Yih-Chern","Efficient and selective separation of aqueous sulfate through recognition and precipitation","New J. Chem.","2017","41","6","2249","","10.1039/C6NJ03710K","","","0.71073","MoKα","","0.089","0.0478","","","0.1331","0.1654","","","","","","0.941","","","","has coordinates","301851","2025-08-21","20:32:54",""
"7055987","23.541","0.004","23.541","0.004","59.81","0.03","90","","90","","120","","28705","16","150","2","150","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C50 H72 N14 O6 S -","- C50 H72 N14 O6 S -","- C900 H1296 N252 O108 S18 -","18","0.5","","Ke, Ya-Ting; Chou, Wei-Tzu; Chiang, Yi-Fen; Hsieh, Chang-Chih; Horng, Yih-Chern","Efficient and selective separation of aqueous sulfate through recognition and precipitation","New J. Chem.","2017","41","6","2249","","10.1039/C6NJ03710K","","","0.71073","MoKα","","0.1417","0.1019","","","0.2621","0.2863","","","","","","0.849","","","","has coordinates","301851","2025-08-21","20:32:54",""
"7055988","11.8851","0.001","12.1025","0.001","21.045","0.0013","82.412","0.007","76.788","0.007","60.595","0.009","2566.6","0.4","294.44","0.1","294.44","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C51 H60 Br2 O10 -","- C51 H60 Br2 O10 -","- C102 H120 Br4 O20 -","2","1","","Chen, Jin-Fa; Cheng, Xiao-Bin; Li, Hui; Lin, Qi; Yao, Hong; Zhang, You-Ming; Wei, Tai-Bao","A copillar[5]arene-based fluorescence “on–off–on” sensor is applied in sequential recognition of an iron cation and a fluoride anion","New J. Chem.","2017","41","5","2148","","10.1039/C6NJ03380F","","x-ray","0.71073","MoKα","","0.1668","0.1136","","","0.2945","0.3222","","","","","","1.067","","","","has coordinates","301851","2025-08-21","20:32:54",""
"7055989","8.3886","0.0007","9.0069","0.0008","14.5283","0.0013","76.634","0.008","89.729","0.007","64.661","0.008","959.66","0.17","295","2","295","2","","","","","","","","3","P 1","P 1","1","","","","- C53 H36 Br2 -","- C53 H36 Br2 -","- C53 H36 Br2 -","1","1","","Khasanov, Albert F.; Kopchuk, Dmitry S.; Kovalev, Igor S.; Taniya, Olga S.; Giri, Kousik; Slepukhin, Pavel A.; Santra, Sougata; Rahman, Matiur; Majee, Adinath; Charushin, Valery N.; Chupakhin, Oleg N.","Extended cavity pyrene-based iptycenes for the turn-off fluorescence detection of RDX and common nitroaromatic explosives","New J. Chem.","2017","41","6","2309","","10.1039/C6NJ02956F","","","0.7107","MoKα","","0.0751","0.0509","","","0.1305","0.1536","","","","","","1.006","","","","has coordinates","195150","2020-10-21","18:00:00",""
"7055990","13.0874","0.0006","15.5471","0.0012","22.686","0.002","70.666","0.007","88.978","0.008","67.069","0.006","3978.5","0.6","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C221 H140 Br8 N4 O8 -","- C221 H140 Br8 N4 O8 -","- C221 H140 Br8 N4 O8 -","1","0.5","","Khasanov, Albert F.; Kopchuk, Dmitry S.; Kovalev, Igor S.; Taniya, Olga S.; Giri, Kousik; Slepukhin, Pavel A.; Santra, Sougata; Rahman, Matiur; Majee, Adinath; Charushin, Valery N.; Chupakhin, Oleg N.","Extended cavity pyrene-based iptycenes for the turn-off fluorescence detection of RDX and common nitroaromatic explosives","New J. Chem.","2017","41","6","2309","","10.1039/C6NJ02956F","","","0.71073","MoKα","","0.1166","0.0479","","","0.0963","0.1024","","","","","","1.019","","","","has coordinates,has disorder","195150","2020-10-21","18:00:00",""
"7055991","10.6582","0.0012","11.7546","0.0012","15.703","0.0018","86.775","0.004","82.638","0.003","84.317","0.005","1939.6","0.4","173.15","","173.15","","","","","","","","","6","P -1","-P 1","2","","","","- C70 H108 Al2 Cl6 N4 O4 -","- C70 H108 Al2 Cl6 N4 O4 -","- C70 H108 Al2 Cl6 N4 O4 -","1","0.5","","Zhang, Jie; Liu, Shaofeng; Zuo, Weiwei; Ye, Hongqi; Li, Zhibo","Synthesis of dinuclear aluminum complexes bearing bis-phenolate ligand and application in ring-opening polymerization of ε-caprolactone","New J. Chem.","2017","41","6","2358","","10.1039/C6NJ03818B","","","0.71073","MoKα","","0.0729","0.0692","","","0.1865","0.19","","","","","","1.071","","","","has coordinates,has disorder","195151","2020-10-21","18:00:00",""
"7055992","22.5443","0.0001","12.9305","0.0001","25.5225","0.0001","90","","93.527","0.003","90","","7425.95","0.08","150","2","150","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C38 H58 Al Cl N2 O2 -","- C38 H58 Al Cl N2 O2 -","- C304 H464 Al8 Cl8 N16 O16 -","8","1","","Beament, James; Mahon, Mary F.; Buchard, Antoine; Jones, Matthew D.","Salan group 13 complexes ‒ structural study and lactide polymerisation","New J. Chem.","2017","41","5","2198","","10.1039/C6NJ03844A","","","1.54184","CuKα","","0.0385","0.0377","","","0.0967","0.0974","","","","","","1.021","","","","has coordinates,has disorder","193874","2020-10-21","18:00:00",""
"7055993","22.4184","0.0001","12.9111","0.0001","25.8038","0.0001","90","","93.354","0.001","90","","7456.02","0.07","150","2","150","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C38 H58 Cl Ga N2 O2 -","- C38 H58 Cl Ga N2 O2 -","- C304 H464 Cl8 Ga8 N16 O16 -","8","1","","Beament, James; Mahon, Mary F.; Buchard, Antoine; Jones, Matthew D.","Salan group 13 complexes ‒ structural study and lactide polymerisation","New J. Chem.","2017","41","5","2198","","10.1039/C6NJ03844A","","","1.54184","CuKα","","0.0297","0.029","","","0.0773","0.0779","","","","","","1.021","","","","has coordinates","193874","2020-10-21","18:00:00",""
"7055994","12.3467","0.0003","15.823","0.0004","19.2186","0.0005","90","","94.865","0.003","90","","3741.05","0.16","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C38 H58 Cl In N2 O2 -","- C38 H58 Cl In N2 O2 -","- C152 H232 Cl4 In4 N8 O8 -","4","1","","Beament, James; Mahon, Mary F.; Buchard, Antoine; Jones, Matthew D.","Salan group 13 complexes ‒ structural study and lactide polymerisation","New J. Chem.","2017","41","5","2198","","10.1039/C6NJ03844A","","","1.54184","CuKα","","0.0214","0.0202","","","0.0497","0.0503","","","","","","1.027","","","","has coordinates","193874","2020-10-21","18:00:00",""
"7055995","33.7559","0.0005","13.9577","0.0002","17.7422","0.0003","90","","102.82","0.002","90","","8150.9","0.2","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C38.5 H64.5 Al Cl N2 O2 -","- C38.5 H64.5 Al Cl N2 O2 -","- C308 H516 Al8 Cl8 N16 O16 -","8","1","","Beament, James; Mahon, Mary F.; Buchard, Antoine; Jones, Matthew D.","Salan group 13 complexes – structural study and lactide polymerisation","New J. Chem.","2017","41","5","2198","","10.1039/C6NJ03844A","","","1.54184","CuKα","","0.0768","0.0746","","","0.2122","0.2142","","","","","","1.083","","","","has coordinates,has disorder","301851","2025-08-21","20:32:54",""
"7055996","32.9563","0.0006","14.0324","0.0002","17.9476","0.0002","90","","101.376","0.0015","90","","8136.9","0.2","150.01","0.1","150.01","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C40 H68 Cl Ga N2 O2 -","- C34 H54 Cl Ga N2 O2 -","- C272 H432 Cl8 Ga8 N16 O16 -","8","1","","Beament, James; Mahon, Mary F.; Buchard, Antoine; Jones, Matthew D.","Salan group 13 complexes ‒ structural study and lactide polymerisation","New J. Chem.","2017","41","5","2198","","10.1039/C6NJ03844A","","x-ray","1.54184","CuKα","","0.0458","0.0426","","","0.1126","0.1154","","","","","","1.02","","","","has coordinates,has disorder","193874","2020-10-21","18:00:00",""
"7055997","21.6467","0.0009","13.105","0.0007","32.3338","0.0009","90","","90","","90","","9172.5","0.7","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C48 H70 Cl In N2 O2 -","- C48 H70 Cl In N2 O2 -","- C384 H560 Cl8 In8 N16 O16 -","8","1","","Beament, James; Mahon, Mary F.; Buchard, Antoine; Jones, Matthew D.","Salan group 13 complexes ‒ structural study and lactide polymerisation","New J. Chem.","2017","41","5","2198","","10.1039/C6NJ03844A","","","1.54184","CuKα","","0.0346","0.0311","","","0.0774","0.0793","","","","","","1.045","","","","has coordinates","193874","2020-10-21","18:00:00",""
"7055998","12.01","0.0001","16.744","0.0002","18.8821","0.0002","90","","92.908","0.001","90","","3792.21","0.07","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C38 H58 I In N2 O2 -","- C38 H58 I In N2 O2 -","- C152 H232 I4 In4 N8 O8 -","4","1","","Beament, James; Mahon, Mary F.; Buchard, Antoine; Jones, Matthew D.","Salan group 13 complexes ‒ structural study and lactide polymerisation","New J. Chem.","2017","41","5","2198","","10.1039/C6NJ03844A","","","1.54184","CuKα","","0.0251","0.023","","","0.0574","0.0586","","","","","","1.018","","","","has coordinates","193874","2020-10-21","18:00:00",""
"7055999","17.9334","0.0003","16.6462","0.0002","32.2729","0.0003","90","","99.172","0.001","90","","9511","0.2","150","2","150","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C93 H157 In2 N4 O6 -","- C93 H157 In2 N4 O6 -","- C372 H628 In8 N16 O24 -","4","0.5","","Beament, James; Mahon, Mary F.; Buchard, Antoine; Jones, Matthew D.","Salan group 13 complexes – structural study and lactide polymerisation","New J. Chem.","2017","41","5","2198","","10.1039/C6NJ03844A","","","1.54184","CuKα","","0.0435","0.0383","","","0.1091","0.114","","","","","","1.04","","","","has coordinates,has disorder","301851","2025-08-21","20:32:54",""
"7056000","14.145","0.002","10.0424","0.0016","19.296","0.003","90","","93.899","0.004","90","","2734.6","0.7","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H22 F12 N6 P2 -","- C24 H22 F12 N6 P2 -","- C96 H88 F48 N24 P8 -","4","1","","Jana, Barun; Ghosh, Pradyut","Structural diversities in Ag(i) complexes of xylyl platform based isomeric bis-NHC ligands: effects of pyridine wingtip substituents","New J. Chem.","2017","41","5","2131","","10.1039/C6NJ03609K","","","0.71073","MoKα","","0.0721","0.0452","","","0.1304","0.155","","","","","","0.979","","","","has coordinates","301851","2025-08-21","20:32:54",""
"7056001","12.345","0.002","10.001","0.002","22.409","0.004","90","","90.856","0.005","90","","2766.4","0.9","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H22 F12 N6 P2 -","- C24 H22 F12 N6 P2 -","- C96 H88 F48 N24 P8 -","4","1","","Jana, Barun; Ghosh, Pradyut","Structural diversities in Ag(i) complexes of xylyl platform based isomeric bis-NHC ligands: effects of pyridine wingtip substituents","New J. Chem.","2017","41","5","2131","","10.1039/C6NJ03609K","","","0.71073","MoKα","","0.1236","0.0864","","","0.2074","0.2361","","","","","","1.01","","","","has coordinates","301851","2025-08-21","20:32:54",""
"7056002","9.3697","0.0007","15.5486","0.0013","10.1656","0.0008","90","","102.268","0.005","90","","1447.2","0.2","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H22 F12 N6 P2 -","- C24 H22 F12 N6 P2 -","- C48 H44 F24 N12 P4 -","2","0.5","","Jana, Barun; Ghosh, Pradyut","Structural diversities in Ag(i) complexes of xylyl platform based isomeric bis-NHC ligands: effects of pyridine wingtip substituents","New J. Chem.","2017","41","5","2131","","10.1039/C6NJ03609K","","","0.71073","MoKα","","0.0998","0.0648","","","0.1827","0.213","","","","","","1.044","","","","has coordinates","301851","2025-08-21","20:32:54",""
"7056003","24.526","0.012","18.137","0.009","14.803","0.008","90","","123.108","0.007","90","","5516","5","120","2","120","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C52 H46 Ag2 F12 N14 P2 -","- C52 H46 Ag2 F12 N14 P2 -","- C208 H184 Ag8 F48 N56 P8 -","4","0.5","","Jana, Barun; Ghosh, Pradyut","Structural diversities in Ag(i) complexes of xylyl platform based isomeric bis-NHC ligands: effects of pyridine wingtip substituents","New J. Chem.","2017","41","5","2131","","10.1039/C6NJ03609K","","","0.71073","MoKα","","0.1156","0.0677","","","0.1591","0.195","","","","","","1.041","","","","has coordinates","193872","2020-10-21","18:00:00",""
"7056004","13.9881","0.0017","24.815","0.003","15.5816","0.0018","90","","90.367","0.003","90","","5408.5","1.1","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C52 H46 Ag2 F12 N14 P2 -","- C52 H46 Ag2 F12 N14 P2 -","- C208 H184 Ag8 F48 N56 P8 -","4","1","","Jana, Barun; Ghosh, Pradyut","Structural diversities in Ag(i) complexes of xylyl platform based isomeric bis-NHC ligands: effects of pyridine wingtip substituents","New J. Chem.","2017","41","5","2131","","10.1039/C6NJ03609K","","","0.71073","MoKα","","0.1855","0.1224","","","0.2601","0.2889","","","","","","1.109","","","","has coordinates","193872","2020-10-21","18:00:00",""
"7056005","10.4825","0.0012","11.7243","0.0013","12.3329","0.0014","70.664","0.002","88.355","0.003","84.518","0.002","1423.7","0.3","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H24.5 Ag F6 N7.5 P -","- C27 H24.5 Ag F6 N7.5 P -","- C54 H49 Ag2 F12 N15 P2 -","2","1","","Jana, Barun; Ghosh, Pradyut","Structural diversities in Ag(i) complexes of xylyl platform based isomeric bis-NHC ligands: effects of pyridine wingtip substituents","New J. Chem.","2017","41","5","2131","","10.1039/C6NJ03609K","","","0.71073","MoKα","","0.0658","0.0467","","","0.1111","0.1222","","","","","","1.037","","","","has coordinates,has disorder","193872","2020-10-21","18:00:00",""
"7056006","17.7697","0.001","10.7634","0.0007","11.4808","0.0006","90","","103.834","0.006","90","","2132.1","0.2","296","2","296","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C26 H18 Cu N4 O2 -","- C26 H18 Cu N4 O2 -","- C104 H72 Cu4 N16 O8 -","4","1","","Cindrić, Marina; Bjelopetrović, Alen; Pavlović, Gordana; Damjanović, Vladimir; Lovrić, Jasna; Matković-Čalogović, Dubravka; Vrdoljak, Višnja","Copper(ii) complexes with benzhydrazone-related ligands: synthesis, structural studies and cytotoxicity assay","New J. Chem.","2017","41","6","2425","","10.1039/C6NJ03827A","","","0.71073","MoKα","","0.0894","0.0633","","","0.1051","0.1139","","","","","","1.05","","","","has coordinates","301851","2025-08-21","20:32:54",""
"7056007","11.3899","0.0003","7.9499","0.0002","20.1358","0.0005","90","","99.746","0.002","90","","1796.95","0.08","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H18 Cu N3 O3 -","- C20 H18 Cu N3 O3 -","- C80 H72 Cu4 N12 O12 -","4","1","","Cindrić, Marina; Bjelopetrović, Alen; Pavlović, Gordana; Damjanović, Vladimir; Lovrić, Jasna; Matković-Čalogović, Dubravka; Vrdoljak, Višnja","Copper(ii) complexes with benzhydrazone-related ligands: synthesis, structural studies and cytotoxicity assay","New J. Chem.","2017","41","6","2425","","10.1039/C6NJ03827A","","","0.71073","MoKα","","0.0425","0.0378","","","0.0956","0.0985","","","","","","1.06","","","","has coordinates","195148","2020-10-21","18:00:00",""
"7056008","25.256","0.002","11.149","0.0005","25.821","0.002","90","","120.069","0.011","90","","6292.2","1","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C64 H46 Cu4 N8 O18 -","- C64 H46 Cu4 N8 O18 -","- C256 H184 Cu16 N32 O72 -","4","0.5","","Cindrić, Marina; Bjelopetrović, Alen; Pavlović, Gordana; Damjanović, Vladimir; Lovrić, Jasna; Matković-Čalogović, Dubravka; Vrdoljak, Višnja","Copper(ii) complexes with benzhydrazone-related ligands: synthesis, structural studies and cytotoxicity assay","New J. Chem.","2017","41","6","2425","","10.1039/C6NJ03827A","","","0.71073","MoKα","","0.1311","0.1015","","","0.227","0.2413","","","","","","1.15","","","","has coordinates","195148","2020-10-21","18:00:00",""
"7056009","16.5056","0.0003","8.5024","0.00019","24.0812","0.0005","90","","93.366","0.0016","90","","3373.66","0.12","296","2","296","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C40 H32 Cu2 N6 O6 -","- C40 H32 Cu2 N6 O6 -","- C160 H128 Cu8 N24 O24 -","4","0.5","","Cindrić, Marina; Bjelopetrović, Alen; Pavlović, Gordana; Damjanović, Vladimir; Lovrić, Jasna; Matković-Čalogović, Dubravka; Vrdoljak, Višnja","Copper(ii) complexes with benzhydrazone-related ligands: synthesis, structural studies and cytotoxicity assay","New J. Chem.","2017","41","6","2425","","10.1039/C6NJ03827A","","","0.71073","MoKα","","0.0611","0.0405","","","0.0903","0.0991","","","","","","1.013","","","","has coordinates","301851","2025-08-21","20:32:54",""
"7056010","13.5763","0.0006","10.6885","0.0003","13.9612","0.0007","90","","116.912","0.006","90","","1806.51","0.16","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H34 Cu2 N6 O6 -","- C40 H34 Cu2 N6 O6 -","- C80 H68 Cu4 N12 O12 -","2","0.5","","Cindrić, Marina; Bjelopetrović, Alen; Pavlović, Gordana; Damjanović, Vladimir; Lovrić, Jasna; Matković-Čalogović, Dubravka; Vrdoljak, Višnja","Copper(ii) complexes with benzhydrazone-related ligands: synthesis, structural studies and cytotoxicity assay","New J. Chem.","2017","41","6","2425","","10.1039/C6NJ03827A","","","1.54184","CuKα","","0.0454","0.04","","","0.1178","0.1235","","","","","","1.056","","","","has coordinates","301851","2025-08-21","20:32:54",""
"7056011","12.42","0.001","8.0353","0.0004","19.6932","0.001","90","","93.427","0.005","90","","1961.8","0.2","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H38 Cu2 N6 O9 -","- C40 H38 Cu2 N6 O9 -","- C80 H76 Cu4 N12 O18 -","2","0.5","","Cindrić, Marina; Bjelopetrović, Alen; Pavlović, Gordana; Damjanović, Vladimir; Lovrić, Jasna; Matković-Čalogović, Dubravka; Vrdoljak, Višnja","Copper(ii) complexes with benzhydrazone-related ligands: synthesis, structural studies and cytotoxicity assay","New J. Chem.","2017","41","6","2425","","10.1039/C6NJ03827A","","","0.71073","MoKα","","0.0665","0.0459","","","0.1143","0.1235","","","","","","1.047","","","","has coordinates","195148","2020-10-21","18:00:00",""
"7056012","18.5945","0.0013","10.8612","0.0005","11.6265","0.0007","90","","98.555","0.007","90","","2321.9","0.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H20 Cu N4 O3 -","- C27 H20 Cu N4 O3 -","- C108 H80 Cu4 N16 O12 -","4","1","","Cindrić, Marina; Bjelopetrović, Alen; Pavlović, Gordana; Damjanović, Vladimir; Lovrić, Jasna; Matković-Čalogović, Dubravka; Vrdoljak, Višnja","Copper(ii) complexes with benzhydrazone-related ligands: synthesis, structural studies and cytotoxicity assay","New J. Chem.","2017","41","6","2425","","10.1039/C6NJ03827A","","","0.71073","MoKα","","0.1133","0.0579","","","0.0936","0.1078","","","","","","1.015","","","","has coordinates,has disorder","301851","2025-08-21","20:32:54",""
"7056013","9.6317","0.0007","11.2106","0.0007","13.6662","0.0008","102.602","0.005","91.453","0.005","101.45","0.006","1407.79","0.16","120","0.1","120","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C62 H62 N6 Ni2 O6 P2 S2 -","- C62 H62 N6 Ni2 O6 P2 S2 -","- C62 H62 N6 Ni2 O6 P2 S2 -","1","0.5","","Kalaiarasi, G.; Jain, Ruchi; Puschman, H.; Poorna Chandrika, S.; Preethi, K.; Prabhakaran, R.","New binuclear Ni(ii) metallates containing ONS chelators: synthesis, characterisation, DNA binding, DNA cleavage, protein binding, antioxidant activity, antimicrobial and in vitro cytotoxicity","New J. Chem.","2017","41","7","2543","","10.1039/C6NJ03516G","","x-ray","0.71073","MoKα","","0.049","0.0401","","","0.0983","0.1045","","","","","","1.047","","","","has coordinates","195160","2020-10-21","18:00:00",""
"7056014","10.5619","0.0011","11.0171","0.0012","11.3222","0.0012","93.08","0.004","108.522","0.003","98.363","0.003","1228.9","0.2","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C50 H56 N8 Ni2 O6 P2 S2 -","- C50 H56 N8 Ni2 O6 P2 S2 -","- C50 H56 N8 Ni2 O6 P2 S2 -","1","0.5","","Kalaiarasi, G.; Jain, Ruchi; Puschman, H.; Poorna Chandrika, S.; Preethi, K.; Prabhakaran, R.","New binuclear Ni(ii) metallates containing ONS chelators: synthesis, characterisation, DNA binding, DNA cleavage, protein binding, antioxidant activity, antimicrobial and in vitro cytotoxicity","New J. Chem.","2017","41","7","2543","","10.1039/C6NJ03516G","","","0.71073","MoKα","","0.0972","0.0609","","","0.1404","0.1582","","","","","","1.014","","","","has coordinates","195160","2020-10-21","18:00:00",""
"7056015","10.4365","0.0014","15.482","0.002","9.396","0.0012","90","","110.589","0.001","90","","1421.2","0.3","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H13 N5 S -","- C15 H13 N5 S -","- C60 H52 N20 S4 -","4","1","","Yutronkie, Nathan J.; Tami, Perrine; Singh, Simarpreet; Kleisath, Elizabeth; Gabidullin, Bulat M.; Davis, Rebecca; Brusso, Jaclyn L.","S-Functionalization of 3,5-bis(2-pyridyl)-1,2,4,6-thiatriazine: probing the effect of alkyl chain length in the development of tethered materials","New J. Chem.","2017","41","6","2268","","10.1039/C6NJ03721F","","","0.71073","MoKα","","0.0531","0.0418","","","0.1088","0.1157","","","","","","1.034","","","","has coordinates","301851","2025-08-21","20:32:54",""
"7056016","18.9919","0.0012","14.291","0.0008","16.4594","0.0016","90","","122.227","0.003","90","","3779.1","0.5","200","2","200","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C36 H40 Cl4 N10 S2 -","- C36 H40 Cl4 N10 S2 -","- C144 H160 Cl16 N40 S8 -","4","0.5","","Yutronkie, Nathan J.; Tami, Perrine; Singh, Simarpreet; Kleisath, Elizabeth; Gabidullin, Bulat M.; Davis, Rebecca; Brusso, Jaclyn L.","S-Functionalization of 3,5-bis(2-pyridyl)-1,2,4,6-thiatriazine: probing the effect of alkyl chain length in the development of tethered materials","New J. Chem.","2017","41","6","2268","","10.1039/C6NJ03721F","","","0.71073","MoKα","","0.1292","0.0872","","","0.2195","0.2481","","","","","","1.079","","","","has coordinates,has disorder","301851","2025-08-21","20:32:54",""
"7056017","7.9584","0.0002","12.3934","0.0003","12.5205","0.0003","66.596","0.001","75.989","0.001","83.84","0.001","1099.51","0.05","105","","105","","","","","","","","","4","P -1","-P 1","2","","","","- C24 H20 N4 S3 -","- C24 H20 N4 S3 -","- C48 H40 N8 S6 -","2","1","","Tremblay, Marie-Hélène; Gellé, Alexandra; Skene, W. G.","Ambipolar azomethines as potential cathodic color switching materials","New J. Chem.","2017","41","6","2287","","10.1039/C6NJ01732K","","x-ray","1.34139","GaKα","","0.0332","0.0317","","","0.0858","0.0875","","","","","","1.058","","","","has coordinates","301851","2025-08-21","20:32:54",""
"7056018","6.42","0.001","6.924","0.001","22.131","0.002","95.13","0.002","92.58","0.002","100.82","0.003","960.5","0.2","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H48 Ag2 N8 O2 -","- C38 H48 Ag2 N8 O2 -","- C38 H48 Ag2 N8 O2 -","1","0.5","","Al Abbas, Alexandre; Heinrich, Benoît; L'Her, Matthieu; Couzigné, Emilie; Welter, Richard; Douce, Laurent","Bolaamphiphilic liquid crystals based on bis-imidazolium cations","New J. Chem.","2017","41","7","2604","","10.1039/C6NJ03590F","","","0.7107","MoKα","","0.0507","0.0419","","","0.1171","0.1229","","","","","","1.047","","","","has coordinates","195163","2020-10-21","18:00:00",""
"7056019","8.84","0.0003","9.313","0.0004","24.989","0.0005","90.611","0.002","99.078","0.002","108.899","0.0013","1917.78","0.11","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H50 N8 Ni O3 -","- C38 H50 N8 Ni O3 -","- C76 H100 N16 Ni2 O6 -","2","1","","Al Abbas, Alexandre; Heinrich, Benoît; L'Her, Matthieu; Couzigné, Emilie; Welter, Richard; Douce, Laurent","Bolaamphiphilic liquid crystals based on bis-imidazolium cations","New J. Chem.","2017","41","7","2604","","10.1039/C6NJ03590F","","","0.71073","MoKα","","0.0669","0.0458","","","0.1181","0.1277","","","","","","1.043","","","","has coordinates","195163","2020-10-21","18:00:00",""
"7056020","12.386","0.0011","18.8479","0.0017","22.508","0.002","90","","95.0605","0.0013","90","","5234","0.8","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C112 H138 N10 O12 Pd2 -","- C112 H138 N10 O12 Pd2 -","- C224 H276 N20 O24 Pd4 -","2","0.5","","Morohashi, N.; Iijima, S.; Akasaka, K.; Hattori, T.","Selective extraction of Pd(ii) by p-tert-butylcalix[4]arenedicarboxylic acid","New J. Chem.","2017","41","6","2231","","10.1039/C6NJ03839E","","","0.71073","MoKα","","0.0659","0.0522","","","0.1361","0.1483","","","","","","1.067","","","","has coordinates,has disorder","301851","2025-08-21","20:32:54",""
"7056021","6.5098","0.0019","11.428","0.003","14.534","0.004","101.993","0.003","95.432","0.004","105.472","0.003","1006.3","0.5","110.15","","110.15","","","","","","","","","7","P -1","-P 1","2","","","","- C19 H18 Cl2 N2 O Ru S2 -","- C19 H18 Cl2 N2 O Ru S2 -","- C38 H36 Cl4 N4 O2 Ru2 S4 -","2","1","","Jeyalakshmi, Kumaramangalam; Haribabu, Jebiti; Balachandran, Chandrasekar; Bhuvanesh, Nattamai S. P.; Emi, Nobuhiko; Karvembu, Ramasamy","Synthesis of Ru(ii)‒benzene complexes containing aroylthiourea ligands, and their binding with biomolecules and in vitro cytotoxicity through apoptosis","New J. Chem.","2017","41","7","2672","","10.1039/C6NJ03099H","","","0.71073","MoKα","","0.0441","0.0399","","","0.1051","0.1089","","","","","","1.043","","","","has coordinates","195162","2020-10-21","18:00:00",""
"7056022","11.674","0.002","10.818","0.002","15.646","0.003","90","","99.37","0.03","90","","1949.6","0.6","150","","150","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C18 H16 Cl2 N2 O Ru S2 -","- C18 H16 Cl2 N2 O Ru S2 -","- C72 H64 Cl8 N8 O4 Ru4 S8 -","4","1","","Jeyalakshmi, Kumaramangalam; Haribabu, Jebiti; Balachandran, Chandrasekar; Bhuvanesh, Nattamai S. P.; Emi, Nobuhiko; Karvembu, Ramasamy","Synthesis of Ru(ii)‒benzene complexes containing aroylthiourea ligands, and their binding with biomolecules and in vitro cytotoxicity through apoptosis","New J. Chem.","2017","41","7","2672","","10.1039/C6NJ03099H","","","0.71073","MoKα","","0.024","0.0204","","","0.049","0.0509","","","","","","1.037","","","","has coordinates","195162","2020-10-21","18:00:00",""
"7056023","5.539","0.0004","8.1345","0.0006","13.8742","0.0009","94.771","0.003","98.816","0.004","93.294","0.004","614.04","0.08","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H10 N2 O Se -","- C14 H10 N2 O Se -","- C28 H20 N4 O2 Se2 -","2","1","","Kumar, Sanjeev; Sharma, Nidhi; Maurya, Indresh K.; Verma, Ajay; Kumar, Sangit; Bhasin, K. K.; Sharma, Rohit K.","Insights into selenylation of imidazo[1,2-a]pyridine: synthesis, structural and antimicrobial evaluation","New J. Chem.","2017","41","8","2919","","10.1039/C7NJ00338B","","x-ray","0.71073","MoKα","","0.0453","0.0303","","","0.0663","0.0719","","","","","","1.015","","","","has coordinates","301851","2025-08-21","20:32:54",""
"7056024","16.254","0.003","16.408","0.003","17.493","0.003","111.443","0.006","93.798","0.006","103.048","0.006","4172.9","1.3","100","2","100","2","","","","","","","","6","P 1","P 1","1","","","","- C167 H144.5 Cl2 Mn8 N10.5 O55.5 -","- C167 H143.5 Cl2 Mn8 N10.5 O55.5 -","- C167 H143.5 Cl2 Mn8 N10.5 O55.5 -","1","1","","Escriche-Tur, Luis; Albela, Belén; Font-Bardia, Mercè; Corbella, Montserrat","Singlet ground states in compounds with a [MnIII4O2]8+ core due to broken degeneration","New J. Chem.","2017","41","8","2934","","10.1039/C6NJ03845J","","","0.71073","MoKα","","0.0428","0.0397","","","0.106","0.1104","","","","","","1.105","","","","has coordinates","196477","2020-10-21","18:00:00",""
"7056025","23.2179","0.0007","14.1211","0.0004","30.9402","0.0008","90","","98.284","0.002","90","","10038.3","0.5","296","2","296","2","","","","","","","","8","P 1 2/c 1","-P 2yc","13","","","","- C40 H110 Cu Mo36 N24 O163 P12 Sr5 -","- C40 H110 Cu1.12 Mo36 N24 O163 P12 Sr4.88 -","- C80 H220 Cu2.24 Mo72 N48 O326 P24 Sr9.76 -","2","0.5","","Wang, Wei-wei; Lv, Jing-hua; Yu, Kai; Wang, Chun-mei; Zhang, He; Wu, Chu; Zhou, Bai-bin","The basket-type dimer layers based on tetra-electron reduced heteropoly blue directed by copper/nickel and strontium linkers","New J. Chem.","2017","41","7","2687","","10.1039/C6NJ03495K","","","0.71073","MoKα","","0.1002","0.0563","","","0.15","0.1747","","","","","","1.027","","","","has coordinates","195157","2020-10-21","18:00:00",""
"7056026","23.2228","0.0004","14.1531","0.0003","30.9026","0.0005","90","","98.311","0.001","90","","10050.2","0.3","296","2","296","2","","","","","","","","8","P 1 2/c 1","-P 2yc","13","","","","- C40 H107.5 Mo36 N24 Ni O161.5 P12 Sr5 -","- C40 H107.4 Mo36 N24 Ni1.1 O161.7 P12 Sr4.9 -","- C80 H214.8 Mo72 N48 Ni2.2 O323.4 P24 Sr9.8 -","2","0.5","","Wang, Wei-wei; Lv, Jing-hua; Yu, Kai; Wang, Chun-mei; Zhang, He; Wu, Chu; Zhou, Bai-bin","The basket-type dimer layers based on tetra-electron reduced heteropoly blue directed by copper/nickel and strontium linkers","New J. Chem.","2017","41","7","2687","","10.1039/C6NJ03495K","","","0.71073","MoKα","","0.1015","0.0865","","","0.1465","0.169","","","","","","1.211","","","","has coordinates,has disorder","195157","2020-10-21","18:00:00",""
"7056027","7.7557","0.0004","10.0442","0.0005","10.1321","0.0005","78.38","0.004","78.554","0.005","68.519","0.005","712.65","0.07","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H18 Cu N4 O4 -","- C12 H18 Cu N4 O4 -","- C24 H36 Cu2 N8 O8 -","2","1","","Noshiranzadeh, Nader; Emami, Marzieh; Bikas, Rahman; Kozakiewicz, Anna","Green click synthesis of β-hydroxy-1,2,3-triazoles in water in the presence of a Cu(ii)–azide catalyst: a new function for Cu(ii)–azide complexes","New J. Chem.","2017","41","7","2658","","10.1039/C6NJ03865D","","","0.71073","MoKα","","0.0444","0.0354","","","0.1026","0.1056","","","","","","1.118","","","","has coordinates","301851","2025-08-21","20:32:54",""
"7056028","14.685","0.003","5.545","0.001","16.85","0.003","90","","100.38","0.03","90","","1349.6","0.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H15 N3 O -","- C16 H15 N3 O -","- C64 H60 N12 O4 -","4","1","","Noshiranzadeh, Nader; Emami, Marzieh; Bikas, Rahman; Kozakiewicz, Anna","Green click synthesis of β-hydroxy-1,2,3-triazoles in water in the presence of a Cu(ii)–azide catalyst: a new function for Cu(ii)–azide complexes","New J. Chem.","2017","41","7","2658","","10.1039/C6NJ03865D","","","0.71073","MoKα","","0.2969","0.0984","","","0.2496","0.3598","","","","","","0.99","","","","has coordinates","301851","2025-08-21","20:32:54",""
"7056029","28.22","0.011","7.03","0.003","8.168","0.003","90","","95.038","0.008","90","","1614.2","1.1","296","2","296.15","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C18 H16 N2 O4 -","- C18 H16 N2 O4 -","- C72 H64 N8 O16 -","4","0.5","","Wang, Ning; Yang, Jin-Chuang; Chen, Li-Dong; Li, Jia; An, Yue; Lü, Cheng-Wei; Tian, Yun-Qi","Efficient synthesis of diethyl benzo[c]cinoline-3,8-dicarboxylate for fluorescence quenching materials","New J. Chem.","2017","41","7","2786","","10.1039/C6NJ03989H","","","0.71073","MoKα","","0.1497","0.0576","","","0.1525","0.1969","","","","","","0.98","","","","has coordinates,has disorder","195159","2020-10-21","18:00:00",""
"7056030","8.2607","0.0015","14.168","0.003","27.7","0.005","90","","90","","90","","3241.9","1.1","296.15","","296.15","","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C18 H16 N2 O5 -","- C18 H16 N2 O5 -","- C144 H128 N16 O40 -","8","1","","Wang, Ning; Yang, Jin-Chuang; Chen, Li-Dong; Li, Jia; An, Yue; Lü, Cheng-Wei; Tian, Yun-Qi","Efficient synthesis of diethyl benzo[c]cinoline-3,8-dicarboxylate for fluorescence quenching materials","New J. Chem.","2017","41","7","2786","","10.1039/C6NJ03989H","","","0.71073","MoKα","","0.1385","0.0651","","","0.1498","0.1885","","","","","","1.032","","","","has coordinates,has disorder","301851","2025-08-21","20:32:54",""
"7056031","9.222","0.003","12.461","0.004","13.128","0.004","90","","100.199","0.005","90","","1484.8","0.8","298","2","298","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C16 H12 Cl N O Pd S -","- C16 H12 Cl N O Pd S -","- C64 H48 Cl4 N4 O4 Pd4 S4 -","4","1","","Kumar, Satyendra; Saleem, Fariha; Mishra, Manish Kumar; Singh, Ajai K.","Oxine based unsymmetrical (O−, N, S/Se) pincer ligands and their palladium(ii) complexes: synthesis, structural aspects and applications as a catalyst in amine and copper-free Sonogashira coupling","New J. Chem.","2017","41","7","2745","","10.1039/C7NJ00067G","","","0.71073","MoKα","","0.0861","0.0485","","","0.1031","0.1162","","","","","","0.974","","","","has coordinates","195161","2020-10-21","18:00:00",""
"7056032","19.823","0.003","15.375","0.002","22.92","0.003","90","","90","","90","","6985.5","1.7","298","2","298","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C16 H12 Cl N O Pd Se -","- C16 H12 Cl N O Pd Se -","- C256 H192 Cl16 N16 O16 Pd16 Se16 -","16","2","","Kumar, Satyendra; Saleem, Fariha; Mishra, Manish Kumar; Singh, Ajai K.","Oxine based unsymmetrical (O−, N, S/Se) pincer ligands and their palladium(ii) complexes: synthesis, structural aspects and applications as a catalyst in amine and copper-free Sonogashira coupling","New J. Chem.","2017","41","7","2745","","10.1039/C7NJ00067G","","","0.71073","MoKα","","0.0543","0.0407","","","0.1049","0.1109","","","","","","1.033","","","","has coordinates","195161","2020-10-21","18:00:00",""
"7056033","10.874","0.003","10.652","0.003","11.473","0.004","90","","90.624","0.006","90","","1328.8","0.7","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H13 N O S -","- C16 H13 N O S -","- C64 H52 N4 O4 S4 -","4","1","","Kumar, Satyendra; Saleem, Fariha; Mishra, Manish Kumar; Singh, Ajai K.","Oxine based unsymmetrical (O−, N, S/Se) pincer ligands and their palladium(ii) complexes: synthesis, structural aspects and applications as a catalyst in amine and copper-free Sonogashira coupling","New J. Chem.","2017","41","7","2745","","10.1039/C7NJ00067G","","","0.71073","MoKα","","0.1166","0.0649","","","0.1762","0.2072","","","","","","1.022","","","","has coordinates","301851","2025-08-21","20:32:54",""
"7056034","19.372","0.002","12.2295","0.001","11.3742","0.0014","90","","124.421","0.008","90","","2222.8","0.5","291","2","291","","","","","","","","synthesis as described","5","C 1 2/c 1","-C 2yc","15","Methylbiquinoxen","N,N'-dimethyl-3,3'-biquinoxalinium bis tetrafluroborate, acetonitrile","","- C20 H16 B2 F8 N5 -","- C20 H16 B2 F8 N5 -","- C80 H64 B8 F32 N20 -","4","0.5","","Leblanc, Nicolas; Sproules, Stephen; Powell, Annie K.","An alternative method to access diverse N,N′-diquaternised-3,3′-biquinoxalinium “biquinoxen” dications","New J. Chem.","2017","41","8","2949","","10.1039/C7NJ00531H","","","0.71073","MoKα","","0.0759","0.0617","","","0.1964","0.2111","","","","","","1.132","","","","has coordinates","196480","2020-10-21","18:00:00",""
"7056035","8.663","0.001","8.781","0.001","22.282","0.002","90","","95.376","0.006","90","","1687.5","0.3","291","2","291","","","","","","","","synthesis as described","5","P 1 21/n 1","-P 2yn","14","Benzylbiquinoxen bis (tetrafluoroborate), bis (acetonitrile)","N,N'-dibenzyl-3,3'-biquinoxalinium bis(tetrafluoroborate), bis (acetonitrile)","","- C34 H30 B2 F8 N6 -","- C34 H30 B2 F8 N6 -","- C68 H60 B4 F16 N12 -","2","0.5","","Leblanc, Nicolas; Sproules, Stephen; Powell, Annie K.","An alternative method to access diverse N,N′-diquaternised-3,3′-biquinoxalinium “biquinoxen” dications","New J. Chem.","2017","41","8","2949","","10.1039/C7NJ00531H","","","0.71073","MoKα","","0.0874","0.0595","","","0.1801","0.1985","","","","","","1.071","","","","has coordinates","196480","2020-10-21","18:00:00",""
"7056036","13.6499","0.0005","10.6491","0.0004","16.0789","0.0006","90","","106.365","0.001","90","","2242.53","0.14","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H18 Co N6 O7 -","- C24 H18 Co N6 O7 -","- C96 H72 Co4 N24 O28 -","4","1","","Sharma, Surbhi; Toupet, Loic; Arjmand, Farukh","De novo design of a hydrolytic DNA cleavage agent, mono nitratobis(phen)cobalt(ii) aqua nitrate complex","New J. Chem.","2017","41","8","2883","","10.1039/C7NJ00563F","","","0.71073","MoKα","","0.0457","0.0376","","","0.0994","0.1042","","","","","","1.073","","","","has coordinates","301851","2025-08-21","20:32:54",""
"7056037","10.5833","0.0004","24.6297","0.0008","15.5661","0.0005","90","","102.349","0.001","90","","3963.6","0.2","296","2","296.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C38 H19 F12 Ir N6 O S -","- C38 H19 F12 Ir N6 O S -","- C152 H76 F48 Ir4 N24 O4 S4 -","4","1","","Jing, Yi-Ming; Zheng, You-Xuan","Photoluminescence and electroluminescence of an iridium(iii) complex with 2′,6′-bis(trifluoromethyl)-2,4′-bipyridine and 2-(5-phenyl-1,3,4-thiadiazol-2-yl)phenol ligands","New J. Chem.","2017","41","8","3029","","10.1039/C7NJ00163K","","","0.71073","MoKα","","0.0358","0.0286","","","0.0686","0.0707","","","","","","1.057","","","","has coordinates","196476","2020-10-21","18:00:00",""
"7056038","7.3139","0.0007","9.6308","0.0009","11.2039","0.001","73.572","0.002","78.457","0.002","73.711","0.002","720.31","0.12","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H18 N8 O12 U -","- C32 H18 N8 O12 U -","- C32 H18 N8 O12 U -","1","0.5","","Li, Shuang; Sun, Li Xian; Ni, Jue Chen; Shi, Zhan; Xing, Yong Heng; Shang, Di; Bai, Feng Ying","Two uranyl heterocyclic carboxyl compounds with fluorescent properties as high sensitivity and selectivity optical detectors for nitroaromatics","New J. Chem.","2017","41","8","3073","","10.1039/C6NJ03933B","","","0.71073","MoKα","","0.0394","0.0312","","","0.0614","0.0657","","","","","","1.006","","","","has coordinates,has disorder","196479","2020-10-21","18:00:00",""
"7056039","9.2837","0.0006","25.2187","0.0017","7.4546","0.0005","90","","95.478","0.001","90","","1737.3","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H24 N10 O6 U -","- C40 H24 N10 O6 U -","- C80 H48 N20 O12 U2 -","2","0.5","","Li, Shuang; Sun, Li Xian; Ni, Jue Chen; Shi, Zhan; Xing, Yong Heng; Shang, Di; Bai, Feng Ying","Two uranyl heterocyclic carboxyl compounds with fluorescent properties as high sensitivity and selectivity optical detectors for nitroaromatics","New J. Chem.","2017","41","8","3073","","10.1039/C6NJ03933B","","","0.71073","MoKα","","0.0671","0.031","","","0.0589","0.067","","","","","","1.009","","","","has coordinates","301851","2025-08-21","20:32:54",""
"7056040","19.8753","0.0012","13.6546","0.0008","23.5872","0.0014","90","","108.782","0.001","90","","6060.4","0.6","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C130 H129 F6 N12 O13 P4 Ru2 S2 -","- C130 H129 F6 N12 O13 P4 Ru2 S2 -","- C260 H258 F12 N24 O26 P8 Ru4 S4 -","2","0.5","","Dai, Zengjin; Luo, Qi; Cong, Hengjiang; Zhang, Jing; Peng, Tianyou","New Ru(ii) N′NN′-type pincer complexes: synthesis, characterization and the catalytic hydrogenation of CO2 or bicarbonates to formate salts","New J. Chem.","2017","41","8","3055","","10.1039/C6NJ03855G","","","0.71073","MoKα","","0.0514","0.0402","","","0.1028","0.111","","","","","","1.046","","","","has coordinates,has disorder","196484","2020-10-21","18:00:00",""
"7056041","11.2021","0.0006","8.9266","0.0005","19.0001","0.001","90","","90.03","0.002","90","","1899.95","0.18","153","2","153","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H22 N P Pt S -","- C20 H22 N P Pt S -","- C80 H88 N4 P4 Pt4 S4 -","4","1","","Polo, A.; Duran, J.; Juanola, R.; Real, J.; Benet-Buchholz, J.; Solà, M.; Poater, A.","Tuning diastereoisomerism in platinum(ii) phosphino- and aminothiolato hydrido complexes","New J. Chem.","2017","41","8","3015","","10.1039/C6NJ04042J","","","0.71073","MoKα","","0.0583","0.0411","","","0.0909","0.0968","","","","","","0.981","","","","has coordinates","196490","2020-10-21","18:00:00",""
"7056042","9.2097","0.0015","9.9559","0.0017","13.363","0.002","75.392","0.006","87.912","0.008","63.361","0.006","1055.6","0.3","153","2","153","2","","","","","","","","7","P -1","-P 1","2","","","","- C22 H24 N O2 P Pt S -","- C22 H24 N O2 P Pt S -","- C44 H48 N2 O4 P2 Pt2 S2 -","2","1","","Polo, A.; Duran, J.; Juanola, R.; Real, J.; Benet-Buchholz, J.; Solà, M.; Poater, A.","Tuning diastereoisomerism in platinum(ii) phosphino- and aminothiolato hydrido complexes","New J. Chem.","2017","41","8","3015","","10.1039/C6NJ04042J","","","0.71073","MoKα","","0.1177","0.0601","","","0.1086","0.1231","","","","","","0.853","","","","has coordinates,has disorder","196490","2020-10-21","18:00:00",""
"7056043","9.304","0.0002","10.1733","0.0002","13.5601","0.0003","73.671","0.001","87.586","0.001","63.534","0.001","1097.46","0.04","153","2","153","2","","","","","","","","7","P 1","P 1","1","","","","- C23 H26 N O2 P Pt S -","- C23 H26 N O2 P Pt S -","- C46 H52 N2 O4 P2 Pt2 S2 -","2","2","","Polo, A.; Duran, J.; Juanola, R.; Real, J.; Benet-Buchholz, J.; Solà, M.; Poater, A.","Tuning diastereoisomerism in platinum(ii) phosphino- and aminothiolato hydrido complexes","New J. Chem.","2017","41","8","3015","","10.1039/C6NJ04042J","","","0.71073","MoKα","","0.0513","0.0471","","","0.119","0.1214","","","","","","1.037","","","","has coordinates","196490","2020-10-21","18:00:00",""
"7056044","9.6068","0.0003","29.7785","0.0011","10.3464","0.0004","90","","111.467","0.002","90","","2754.53","0.17","153","2","153","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H30 P2 Pt S -","- C32 H30 P2 Pt S -","- C128 H120 P8 Pt4 S4 -","4","1","","Polo, A.; Duran, J.; Juanola, R.; Real, J.; Benet-Buchholz, J.; Solà, M.; Poater, A.","Tuning diastereoisomerism in platinum(ii) phosphino- and aminothiolato hydrido complexes","New J. Chem.","2017","41","8","3015","","10.1039/C6NJ04042J","","","0.71073","MoKα","","0.0799","0.054","","","0.1382","0.151","","","","","","1.036","","","","has coordinates,has disorder","196490","2020-10-21","18:00:00",""
"7056045","13.894","0.0004","13.894","0.0004","28.8987","0.001","90","","90","","90","","5578.7","0.3","203","2","203","2","","","","","","","","5","I 41 c d","I 4bw -2c","110","","","","- C27 H28 N4 O10 Zn2 -","- C27 H28 N4 O10 Zn2 -","- C216 H224 N32 O80 Zn16 -","8","0.5","","Altaf, Muhammad; Mansha, Muhammad; Sohail, Manzar; Isab, Anvarhusein A.; Ullah, Nisar; Khan, Safyan A.; Sher, Muhammad; Stoeckli-Evans, Helen","Synthesis, structures and photoluminescence properties of mixed ligand divalent metal‒organic frameworks","New J. Chem.","2017","41","8","2980","","10.1039/C7NJ00188F","","","0.71073","MoKα","","0.0234","0.0211","","","0.049","0.0496","","","","","","1.04","","","","has coordinates","196487","2020-10-21","18:00:00",""
"7056046","14.1991","0.001","13.4825","0.0008","14.6649","0.0011","90","","117.027","0.005","90","","2500.8","0.3","203","2","203","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H32 Cu N4 O10 -","- C19 H32 Cu N4 O10 -","- C76 H128 Cu4 N16 O40 -","4","1","","Altaf, Muhammad; Mansha, Muhammad; Sohail, Manzar; Isab, Anvarhusein A.; Ullah, Nisar; Khan, Safyan A.; Sher, Muhammad; Stoeckli-Evans, Helen","Synthesis, structures and photoluminescence properties of mixed ligand divalent metal‒organic frameworks","New J. Chem.","2017","41","8","2980","","10.1039/C7NJ00188F","","","0.71073","MoKα","","0.0571","0.0321","","","0.0582","0.0621","","","","","","0.879","","","","has coordinates","196487","2020-10-21","18:00:00",""
"7056047","18.3638","0.0012","10.9135","0.0004","18.8942","0.0011","90","","108.374","0.005","90","","3593.6","0.4","203","2","203","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C33 H38 Co2 N6 O10 -","- C33 H38 Co2 N6 O10 -","- C132 H152 Co8 N24 O40 -","4","1","","Altaf, Muhammad; Mansha, Muhammad; Sohail, Manzar; Isab, Anvarhusein A.; Ullah, Nisar; Khan, Safyan A.; Sher, Muhammad; Stoeckli-Evans, Helen","Synthesis, structures and photoluminescence properties of mixed ligand divalent metal‒organic frameworks","New J. Chem.","2017","41","8","2980","","10.1039/C7NJ00188F","","","0.71073","MoKα","","0.0793","0.0419","","","0.081","0.088","","","","","","0.95","","","","has coordinates","196487","2020-10-21","18:00:00",""
"7056048","8.3612","0.0007","10.4096","0.0009","14.7569","0.0011","95.769","0.007","97.078","0.006","94.544","0.007","1262.68","0.18","203","2","203","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H24 Ag N4 O4 P -","- C26 H24 Ag N4 O4 P -","- C52 H48 Ag2 N8 O8 P2 -","2","1","","Durini, Sara; Ardizzoia, G. Attilio; Therrien, Bruno; Brenna, Stefano","Tuning the fluorescence emission in mononuclear heteroleptic trigonal silver(i) complexes","New J. Chem.","2017","41","8","3006","","10.1039/C6NJ04058F","","","0.71073","MoKα","","0.0465","0.0281","","","0.0549","0.0572","","","","","","0.816","","","","has coordinates","301851","2025-08-21","20:32:54",""
"7056049","30.9447","0.0016","9.9074","0.0003","21.4664","0.0011","90","","108.445","0.004","90","","6243.1","0.5","203","2","203","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C36 H28 Ag N4 O4 P -","- C36 H28 Ag N4 O4 P -","- C288 H224 Ag8 N32 O32 P8 -","8","1","","Durini, Sara; Ardizzoia, G. Attilio; Therrien, Bruno; Brenna, Stefano","Tuning the fluorescence emission in mononuclear heteroleptic trigonal silver(i) complexes","New J. Chem.","2017","41","8","3006","","10.1039/C6NJ04058F","","","0.71073","MoKα","","0.0411","0.026","","","0.0509","0.0533","","","","","","0.928","","","","has coordinates,has disorder","196488","2020-10-21","18:00:00",""
"7056050","19.5618","0.0005","8.2302","0.0011","20.9709","0.0011","90","","112.52","","90","","3118.8","0.5","203","2","203","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H40 Ag N4 O4 P -","- C30 H40 Ag N4 O4 P -","- C120 H160 Ag4 N16 O16 P4 -","4","1","","Durini, Sara; Ardizzoia, G. Attilio; Therrien, Bruno; Brenna, Stefano","Tuning the fluorescence emission in mononuclear heteroleptic trigonal silver(i) complexes","New J. Chem.","2017","41","8","3006","","10.1039/C6NJ04058F","","","0.71073","MoKα","","0.0623","0.0408","","","0.0922","0.0977","","","","","","0.906","","","","has coordinates","301851","2025-08-21","20:32:54",""
"7056051","9.3609","0.0004","13.7302","0.0007","26.0386","0.001","90","","100.355","0.001","90","","3292.2","0.3","203","2","203","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H28 Ag N4 O7 P -","- C36 H28 Ag N4 O7 P -","- C144 H112 Ag4 N16 O28 P4 -","4","1","","Durini, Sara; Ardizzoia, G. Attilio; Therrien, Bruno; Brenna, Stefano","Tuning the fluorescence emission in mononuclear heteroleptic trigonal silver(i) complexes","New J. Chem.","2017","41","8","3006","","10.1039/C6NJ04058F","","","0.71073","MoKα","","0.0276","0.0216","","","0.0543","0.0554","","","","","","1.004","","","","has coordinates","301851","2025-08-21","20:32:54",""
"7056052","13.662","0.003","15.906","0.003","17.705","0.003","88.86","0.03","88.67","0.03","64.87","0.03","3482.1","1.4","113","","113","2","","","","","","","","7","P -1","-P 1","2","","","","- C52 H44 Co Dy F30 N6 O14 -","- C49 H37 Co Dy F30 N6 O14 -","- C98 H74 Co2 Dy2 F60 N12 O28 -","2","1","","Wang, Xiufeng; Li, Hongdao; Sun, Juan; Yang, Meng; Li, Cun; Li, Licun","LnIII‒CoII heterometallic chains based on pyridine substituted nitronyl nitroxides","New J. Chem.","2017","41","8","2973","","10.1039/C6NJ03849B","","","0.71073","MoKα","","0.1152","0.085","","","0.2183","0.2432","","","","","","1.048","","","","has coordinates,has disorder","196489","2020-10-21","18:00:00",""
"7056053","13.704","0.003","15.792","0.003","17.496","0.003","89.55","0.03","89.03","0.03","64.43","0.03","3415","1.4","113","2","113","2","","","","","","","","7","P -1","-P 1","2","","","","- C52 H44 Co F30 N6 O14 Y -","- C49 H37 Co F30 N6 O14 Y -","- C98 H74 Co2 F60 N12 O28 Y2 -","2","1","","Wang, Xiufeng; Li, Hongdao; Sun, Juan; Yang, Meng; Li, Cun; Li, Licun","LnIII‒CoII heterometallic chains based on pyridine substituted nitronyl nitroxides","New J. Chem.","2017","41","8","2973","","10.1039/C6NJ03849B","","","0.71073","MoKα","","0.1433","0.0933","","","0.2217","0.2543","","","","","","1.023","","","","has coordinates,has disorder","196489","2020-10-21","18:00:00",""
"7056054","13.649","0.003","15.974","0.003","17.707","0.003","88.65","0.03","88.66","0.03","64.82","0.03","3492.4","1.5","113","2","113","2","","","","","","","","7","P -1","-P 1","2","","","","- C49 H37 Co F30 Gd N6 O14 -","- C49 H37 Co F30 Gd N6 O14 -","- C98 H74 Co2 F60 Gd2 N12 O28 -","2","1","","Wang, Xiufeng; Li, Hongdao; Sun, Juan; Yang, Meng; Li, Cun; Li, Licun","LnIII‒CoII heterometallic chains based on pyridine substituted nitronyl nitroxides","New J. Chem.","2017","41","8","2973","","10.1039/C6NJ03849B","","","0.71073","MoKα","","0.1023","0.0693","","","0.151","0.1707","","","","","","1.066","","","","has coordinates,has disorder","196489","2020-10-21","18:00:00",""
"7056055","12.549","0.006","22.609","0.01","25.655","0.01","90","","106.736","0.018","90","","6971","5","113","2","113","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C52 H37 Co Dy F30 N6 O14 -","- C52 H37 Co Dy F30 N6 O14 -","- C208 H148 Co4 Dy4 F120 N24 O56 -","4","1","","Wang, Xiufeng; Li, Hongdao; Sun, Juan; Yang, Meng; Li, Cun; Li, Licun","LnIII‒CoII heterometallic chains based on pyridine substituted nitronyl nitroxides","New J. Chem.","2017","41","8","2973","","10.1039/C6NJ03849B","","","0.71073","MoKα","","0.0996","0.088","","","0.2293","0.2381","","","","","","1.13","","","","has coordinates,has disorder","196489","2020-10-21","18:00:00",""
"7056056","7.50613","0.00016","14.4909","0.0004","12.0626","0.0003","90","","96.839","0.002","90","","1302.72","0.06","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H27 N O12 S -","- C24 H27 N O12 S -","- C48 H54 N2 O24 S2 -","2","1","","Luque-Agudo, V.; Albarrán-Velo, J.; Fernández-Bolaños, J. G.; López, O.; Light, M. E.; Padrón, J. M.; Lagunes, I.; Román, E.; Serrano, J. A.; Gil, M. V.","Synthesis and antiproliferative activity of sulfa-Michael adducts and thiochromenes derived from carbohydrates","New J. Chem.","2017","41","8","3154","","10.1039/C6NJ03940E","","x-ray","1.54184","CuKα","","0.0392","0.0373","","","0.0956","0.0971","","","","","","1.097","","","","has coordinates","301851","2025-08-21","20:32:54",""
"7056057","7.47001","0.00014","17.3307","0.0003","10.39519","0.00018","90","","102.89","0.0018","90","","1311.85","0.04","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H31 N O14 S -","- C21 H31 N O14 S -","- C42 H62 N2 O28 S2 -","2","1","","Luque-Agudo, V.; Albarrán-Velo, J.; Fernández-Bolaños, J. G.; López, O.; Light, M. E.; Padrón, J. M.; Lagunes, I.; Román, E.; Serrano, J. A.; Gil, M. V.","Synthesis and antiproliferative activity of sulfa-Michael adducts and thiochromenes derived from carbohydrates","New J. Chem.","2017","41","8","3154","","10.1039/C6NJ03940E","","x-ray","0.71073","MoKα","","0.0316","0.0292","","","0.0734","0.0747","","","","","","1.031","","","","has coordinates","301851","2025-08-21","20:32:54",""
"7056058","16.714","0.002","19.114","0.002","19.356","0.003","90","","108.853","0.003","90","","5851.9","1.3","120","2","120","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C63 H48 Cl3 Hf N14 Ni O7 -","- C63 H48 Cl3 Hf N14 Ni O7 -","- C252 H192 Cl12 Hf4 N56 Ni4 O28 -","4","1","","Dudkin, Semyon V.; Belov, Alexander S.; Nelyubina, Yulia V.; Savchuk, Anastasia V.; Pavlov, Alexander A.; Novikov, Valentin V.; Voloshin, Yan Z.","Synthesis, X-ray structure and electrochemical properties of hybrid binuclear metallophthalocyaninate-capped tris-pyridineoximates","New J. Chem.","2017","41","9","3251","","10.1039/C7NJ00131B","","","0.71073","MoKα","","0.0813","0.0486","","","0.0887","0.1013","","","","","","1.067","","","","has coordinates,has disorder","196492","2020-10-21","18:00:00",""
"7056059","12.7726","0.0016","12.7063","0.0016","29.868","0.004","90","","100.255","0.002","90","","4769.9","1.1","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C53 H37 Cl Fe N14 O7 Zr -","- C53 H37 Cl Fe N14 O7 Zr -","- C212 H148 Cl4 Fe4 N56 O28 Zr4 -","4","1","","Dudkin, Semyon V.; Belov, Alexander S.; Nelyubina, Yulia V.; Savchuk, Anastasia V.; Pavlov, Alexander A.; Novikov, Valentin V.; Voloshin, Yan Z.","Synthesis, X-ray structure and electrochemical properties of hybrid binuclear metallophthalocyaninate-capped tris-pyridineoximates","New J. Chem.","2017","41","9","3251","","10.1039/C7NJ00131B","","","0.71073","MoKα","","0.1614","0.1076","","","0.2301","0.2488","","","","","","1.558","","","","has coordinates","196492","2020-10-21","18:00:00",""
"7056060","12.1688","0.0019","13.742","0.002","15.64","0.002","79.198","0.003","81.175","0.003","89.104","0.004","2538.4","0.6","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C53 H37 Cl Fe Hf N14 O7 -","- C53 H37 Cl Fe Hf N14 O7 -","- C106 H74 Cl2 Fe2 Hf2 N28 O14 -","2","1","","Dudkin, Semyon V.; Belov, Alexander S.; Nelyubina, Yulia V.; Savchuk, Anastasia V.; Pavlov, Alexander A.; Novikov, Valentin V.; Voloshin, Yan Z.","Synthesis, X-ray structure and electrochemical properties of hybrid binuclear metallophthalocyaninate-capped tris-pyridineoximates","New J. Chem.","2017","41","9","3251","","10.1039/C7NJ00131B","","","0.71073","MoKα","","0.0962","0.071","","","0.1653","0.1807","","","","","","1.002","","","","has coordinates","196492","2020-10-21","18:00:00",""
"7056061","12.3075","0.0016","13.6996","0.0018","16.041","0.002","76.481","0.003","79.763","0.003","87.948","0.003","2587.8","0.6","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C53 H37 Cl N14 Ni O7 Zr -","- C53 H37 Cl N14 Ni O7 Zr -","- C106 H74 Cl2 N28 Ni2 O14 Zr2 -","2","1","","Dudkin, Semyon V.; Belov, Alexander S.; Nelyubina, Yulia V.; Savchuk, Anastasia V.; Pavlov, Alexander A.; Novikov, Valentin V.; Voloshin, Yan Z.","Synthesis, X-ray structure and electrochemical properties of hybrid binuclear metallophthalocyaninate-capped tris-pyridineoximates","New J. Chem.","2017","41","9","3251","","10.1039/C7NJ00131B","","","0.71073","MoKα","","0.0931","0.0583","","","0.135","0.1487","","","","","","1.019","","","","has coordinates","196492","2020-10-21","18:00:00",""
"7056062","12.9295","0.0006","12.9295","0.0006","31.955","0.003","90","","90","","120","","4626.3","0.5","120","2","120","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C27 H36 Cl N6 Ni O7 Sb -","- C27 H36 Cl N6 Ni O7 Sb -","- C162 H216 Cl6 N36 Ni6 O42 Sb6 -","6","0.333333","","Dudkin, Semyon V.; Belov, Alexander S.; Nelyubina, Yulia V.; Savchuk, Anastasia V.; Pavlov, Alexander A.; Novikov, Valentin V.; Voloshin, Yan Z.","Synthesis, X-ray structure and electrochemical properties of hybrid binuclear metallophthalocyaninate-capped tris-pyridineoximates","New J. Chem.","2017","41","9","3251","","10.1039/C7NJ00131B","","","0.71073","MoKα","","0.0467","0.0377","","","0.1185","0.1279","","","","","","1.015","","","","has coordinates,has disorder","196492","2020-10-21","18:00:00",""
"7056063","9.1099","0.0018","11.433","0.002","13.749","0.003","104.98","0.03","103.14","0.03","109.24","0.03","1227","0.7","100","","100","","","","","","","","","5","P -1","-P 1","2","","5-bromo-N-(3,4-dimethoxyphenethyl)-2-(2,3,6,7-tetrahydro-1H,5H-pyrido[3,2,1-ij]quinolin-9-yl)imidazo[1,2-a]pyridin-3-amine","","- C29 H31 Br N4 O2 -","- C29 H31 Br N4 O2 -","- C58 H62 Br2 N8 O4 -","2","1","","Basavanag, Unnamatla M. V.; Islas-Jácome, Alejandro; Rentería-Gómez, Angel; Conejo, Alaín S.; Kurva, Mahanandaiah; Jiménez-Halla, J. Oscar C.; Velusamy, Jayaramakrishnan; Ramos-Ortíz, Gabriel; Gámez-Montaño, Rocío","Synthesis of 2-julolidin-imidazo[1,2-a]pyridines via Groebke–Blackburn–Bienaymé reaction and studies of optical properties","New J. Chem.","2017","41","9","3450","","10.1039/C6NJ04044F","","","0.71073","MoKα","","0.0392","0.0289","","","0.0681","0.0713","","","","","","1.052","","","","has coordinates","301851","2025-08-21","20:32:54",""
"7056064","12.998","0.0003","17.766","0.0004","24.193","0.0005","90","","120.521","0.001","90","","4812.63","0.19","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Cyclometalated ruthenium complexes from naturally occurring quinones: Studies on their photophysical features, computational details and trypanocidal activity?","","- C49 H39 F12 N9 O P2 Ru -","- C49 H39 F12 N9 O P2 Ru -","- C196 H156 F48 N36 O4 P8 Ru4 -","4","1","","Souza, Clayton; Silva, Rafaela; Fernandes, Philipe; Souza Filho, Jose D.; Duarte, Hélio Anderson; Araujo, Maria Helena; Simone, Carlos; de Castro, Solange; Menna-Barreto, Rubem F. S.; Demicheli, Cynthia; da Silva Júnior, Eufrânio N.","Cyclometalated ruthenium complexes from naturally occurring quinones: Studies on their photophysical features, computational details and trypanocidal activity","New J. Chem.","2017","41","10","3723","3731","10.1039/C7NJ00379J","","","0.71073","MoKα","","0.0884","0.054","","","0.1407","0.1579","","","","","","0.925","","","","has coordinates","301851","2025-08-21","20:32:54",""
"7056065","7.34","0.0007","18.9644","0.0018","23.232","0.002","90","","90","","90","","3233.9","0.5","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","4-(4-chlorophenyl)-2-(5-(4-chlorophenyl)-1H-pyrazol-1-yl) thiazole","","- C18 H11 Cl2 N3 S -","- C18 H11 Cl2 N3 S -","- C144 H88 Cl16 N24 S8 -","8","1","","Meshram, Harshadas Mitaram; Sridevi, Bhima; Tangella, Yellaiah; Korrapati, Suresh Babu; Nanubolu, Jagadeesh Babu; Routhu, Sunitha Rani; C., Ganesh Kumar; Kamal, Ahmed","Sulfamic Acid Catalyzed One-Pot, Three-Component Green Approach: Synthesis and Cytotoxic Evaluation of Pyrazolyl-Thiazole Congeners","New J. Chem.","2017","41","10","3745","3749","10.1039/C7NJ00042A","","","0.71073","MoKα","","0.0606","0.0591","","","0.1245","0.1253","","","","","","1.337","","","","has coordinates","301851","2025-08-21","20:32:54",""
"7056066","37.5699","0.0007","37.5699","0.0007","5.3064","0.0001","90","","90","","90","","7490","0.2","293","0.1","293","0.1","","","","","","","","4","P 4/n :2","-P 4a","85","","","","- C42 H40 N2 S4 -","- C42 H40 N2 S4 -","- C336 H320 N16 S32 -","8","1","","Croué, V.; Krykun, S.; Allain, M.; Morille, Y.; Aubriet, F.; Carré, V.; Voitenko, Z.; Goeb, S.; Sallé, M.","A self-assembled M2L4 cage incorporating electron-rich 9-(1,3-dithiol-2-ylidene)fluorene units","New J. Chem.","2017","41","9","3238","","10.1039/C7NJ00062F","","x-ray","1.54184","CuKα","","0.0944","0.0727","","","0.205","0.2286","","","","","","1.057","","","","has coordinates","301851","2025-08-21","20:32:54",""
"7056067","17.4676","0.0007","17.8158","0.0006","20.064","0.001","74.016","0.004","67.644","0.004","89.049","0.003","5524","0.5","120","1","120","2","","","","","","","","8","P -1","-P 1","2","","","","- C100 H128 B2 F8 N4 O8 Pd S16 -","- C82 H73 B2 F8 N4 Pd S8 -","- C164 H146 B4 F16 N8 Pd2 S16 -","2","1","","Croué, V.; Krykun, S.; Allain, M.; Morille, Y.; Aubriet, F.; Carré, V.; Voitenko, Z.; Goeb, S.; Sallé, M.","A self-assembled M2L4 cage incorporating electron-rich 9-(1,3-dithiol-2-ylidene)fluorene units","New J. Chem.","2017","41","9","3238","","10.1039/C7NJ00062F","","x-ray","0.67221","synchrotron","","0.2912","0.0908","","","0.2262","0.2725","","","","","","0.708","","","","has coordinates","196498","2020-10-21","18:00:00",""
"7056068","10.3062","0.0015","10.3062","0.0015","8.3458","0.0017","90","","90","","120","","767.7","0.2","153.15","","153.15","","","","","","","","","6","R 3 m :H","R 3 -2""","160","","","","- B3 Be3 F4 Li O9 Sr3 -","- B3 Be3 F4 Li O9 Sr3 -","- B9 Be9 F12 Li3 O27 Sr9 -","3","0.166667","","Guo, Shu; Liang, Fei; Liu, Lijuan; Xia, Mingjun; Fang, Zhi; Wu, Ruofei; Wang, Xiaoyang; Lin, Zheshuai; Chen, Chuangtian","LiSr3Be3B3O9F4: A New Ultraviolet Nonlinear Optical Crystal for Fourth-harmonic Generation of Nd:YAG Lasers","New J. Chem.","2017","41","11","4269","4272","10.1039/C7NJ00160F","","","0.710747","MoKα","","0.0283","0.0278","","","0.0649","0.0651","","","","","","1.076","","","","has coordinates","301442","2025-08-04","07:16:06",""
"7056069","15.71","0.06","8.7","0.03","13.25","0.04","90","","90","","90","","1811","11","203","2","203","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C12 H11 Co N8 O S2 -","- C12 H11 Co N8 O S2 -","- C48 H44 Co4 N32 O4 S8 -","4","1","","Liu, Yu-Ling; Wu, De-Hong; Wang, Zhongxia; Zhang, Yi","Switchings of dielectric constant, second harmonic generation and polarization in a polar hybrid cyanometallate crystal","New J. Chem.","2017","41","8","3211","","10.1039/C6NJ03973A","","","0.71073","MoKα","","0.1365","0.1198","","","0.3049","0.3222","","","","","","1.095","","","","has coordinates","196482","2020-10-21","18:00:00",""
"7056070","15.033","0.014","8.92","0.01","13.208","0.012","90","","90","","90","","1771","3","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C12 H11 Co N8 O S2 -","- C12 H11 Co N8 O S2 -","- C48 H44 Co4 N32 O4 S8 -","4","1","","Liu, Yu-Ling; Wu, De-Hong; Wang, Zhongxia; Zhang, Yi","Switchings of dielectric constant, second harmonic generation and polarization in a polar hybrid cyanometallate crystal","New J. Chem.","2017","41","8","3211","","10.1039/C6NJ03973A","","","0.71073","MoKα","","0.1095","0.0955","","","0.2817","0.2975","","","","","","1.153","","","","has coordinates,has disorder","196482","2020-10-21","18:00:00",""
"7056071","9.1597","0.0007","10.5684","0.0007","9.9433","0.0007","90","","101.11","0.007","90","","944.51","0.12","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","5-trinitromethyl-3-nitraminotriazole","5-trinitromethyl-3-nitraminotriazole","","- C3 H2 N8 O8 -","- C3 H2 N8 O8 -","- C12 H8 N32 O32 -","4","1","","Hermann, Tobias S.; Klapötke, Thomas M.; Krumm, Burkhard; Stierstorfer, Jörg","The energetic 3-trinitromethyl-5-nitramino-1H-1,2,4-triazole and nitrogen-rich salts","New J. Chem.","2017","41","8","3068","","10.1039/C7NJ00695K","","x-ray","0.71073","MoKα","","0.0373","0.0327","","","0.0794","0.0836","","","","","","1.068","","","","has coordinates","301851","2025-08-21","20:32:54",""
"7056072","6.3932","0.0007","9.4219","0.001","10.9116","0.0011","64.711","0.007","80.374","0.008","73.543","0.007","569.13","0.11","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- Mg5 Na7 O28 P8 -","- Mg4.5 Na7 O28 P8 -","- Mg4.5 Na7 O28 P8 -","1","0.5","","Ma, Ruru; Yang, Yun; Pan, Shilie; Sun, Yanzhou; Yang, Zhihua","Structure comparison and optical properties of Na7Mg4.5(P2O7)4: a sodium magnesium phosphate with isolated P2O7 units","New J. Chem.","2017","41","9","3399","","10.1039/C6NJ03986C","","","0.71073","MoKα","","0.0632","0.0426","","","0.0888","0.0976","","","","","","1.017","","","","has coordinates","196495","2020-10-21","18:00:00",""
"7056073","8.9692","0.0004","9.814","0.0004","20.2915","0.0007","90","","101.814","0.002","90","","1748.3","0.12","150","2","150.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H48 Cl2 N6 Ni O10 -","- C30 H48 Cl2 N6 Ni O10 -","- C60 H96 Cl4 N12 Ni2 O20 -","2","0.5","","Panja, Anangamohan; Jana, Narayan Ch.; Adak, Sarmistha; Brandão, Paula; Dlháň, Lubor; Titiš, Ján; Boča, Roman","The structure and magnetism of mono- and di-nuclear Ni(ii) complexes derived from {N3O}-donor Schiff base ligands","New J. Chem.","2017","41","8","3143","","10.1039/C7NJ00158D","","","0.71073","MoKα","","0.0616","0.0448","","","0.1095","0.1216","","","","","","1.056","","","","has coordinates,has disorder","196486","2020-10-21","18:00:00",""
"7056074","8.0642","0.0002","15.454","0.0004","17.5161","0.0006","90","","101.744","0.001","90","","2137.23","0.11","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H29 N3 Ni O3 -","- C22 H29 N3 Ni O3 -","- C88 H116 N12 Ni4 O12 -","4","1","","Panja, Anangamohan; Jana, Narayan Ch.; Adak, Sarmistha; Brandão, Paula; Dlháň, Lubor; Titiš, Ján; Boča, Roman","The structure and magnetism of mono- and di-nuclear Ni(ii) complexes derived from {N3O}-donor Schiff base ligands","New J. Chem.","2017","41","8","3143","","10.1039/C7NJ00158D","","","0.71073","MoKα","","0.0436","0.0312","","","0.0699","0.075","","","","","","1.026","","","","has coordinates","196486","2020-10-21","18:00:00",""
"7056075","10.8271","0.0007","15.8847","0.001","19.015","0.0013","90","","90.578","0.002","90","","3270.1","0.4","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H48 N8 Ni2 O4 -","- C32 H48 N8 Ni2 O4 -","- C128 H192 N32 Ni8 O16 -","4","1","","Panja, Anangamohan; Jana, Narayan Ch.; Adak, Sarmistha; Brandão, Paula; Dlháň, Lubor; Titiš, Ján; Boča, Roman","The structure and magnetism of mono- and di-nuclear Ni(ii) complexes derived from {N3O}-donor Schiff base ligands","New J. Chem.","2017","41","8","3143","","10.1039/C7NJ00158D","","","0.71073","MoKα","","0.1143","0.0669","","","0.1603","0.1972","","","","","","1.035","","","","has coordinates","301851","2025-08-21","20:32:54",""
"7056076","10.8625","0.0003","12.3213","0.0003","15.8254","0.0004","90","","104.349","0.001","90","","2052","0.09","180","2","180","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C35 H50 N10 Ni2 O3 S4 -","- C35 H50 N10 Ni2 O3 S4 -","- C70 H100 N20 Ni4 O6 S8 -","2","0.5","","Panja, Anangamohan; Jana, Narayan Ch.; Adak, Sarmistha; Brandão, Paula; Dlháň, Lubor; Titiš, Ján; Boča, Roman","The structure and magnetism of mono- and di-nuclear Ni(ii) complexes derived from {N3O}-donor Schiff base ligands","New J. Chem.","2017","41","8","3143","","10.1039/C7NJ00158D","","","0.71073","MoKα","","0.0518","0.036","","","0.0773","0.0849","","","","","","1.064","","","","has coordinates","196486","2020-10-21","18:00:00",""
"7056077","10.8264","0.0006","15.9223","0.0008","19.0138","0.0011","90","","90.451","0.002","90","","3277.5","0.3","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H48 N12 Ni2 O2 -","- C30 H48 N12 Ni2 O2 -","- C120 H192 N48 Ni8 O8 -","4","1","","Panja, Anangamohan; Jana, Narayan Ch.; Adak, Sarmistha; Brandão, Paula; Dlháň, Lubor; Titiš, Ján; Boča, Roman","The structure and magnetism of mono- and di-nuclear Ni(ii) complexes derived from {N3O}-donor Schiff base ligands","New J. Chem.","2017","41","8","3143","","10.1039/C7NJ00158D","","","0.71073","MoKα","","0.1132","0.0775","","","0.1799","0.1988","","","","","","1.18","","","","has coordinates","301851","2025-08-21","20:32:55",""
"7056078","5.5092","0.0017","15.45","0.005","7.287","0.002","90","","90","","90","","620.2","0.3","296","2","296","2","","","","","","","","4","C m c m","-C 2c 2","63","","","","- Ba O6 Pb Si2 -","- Ba O6 Pb Si2 -","- Ba4 O24 Pb4 Si8 -","4","0.25","","Dong, Lingyun; Jia, Liangliang; Wang, Lijun","New lead(II) borates in the PbO/PbF2/H3BO3 ternary phase diagram: syntheses and structures of β-Pb6B10O21 and Pb4B8O16","New J. Chem.","2017","41","11","4291","4294","10.1039/C7NJ00203C","","","0.71073","MoKα","","0.0238","0.0202","","","0.0474","0.0494","","","","","","1.061","","","","has coordinates","301442","2025-08-04","07:16:09",""
"7056079","7.252","0.0011","5.4841","0.0008","24.352","0.004","90","","90","","90","","968.5","0.3","296","2","296","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- Ba2 O10 Pb S Si2 -","- Ba2 O10 Pb S Si2 -","- Ba8 O40 Pb4 S4 Si8 -","4","0.5","","Dong, Lingyun; Jia, Liangliang; Wang, Lijun","New lead(II) borates in the PbO/PbF2/H3BO3 ternary phase diagram: syntheses and structures of β-Pb6B10O21 and Pb4B8O16","New J. Chem.","2017","41","11","4291","4294","10.1039/C7NJ00203C","","","0.71073","MoKα","","0.044","0.0297","","","0.0566","0.0608","","","","","","1.029","","","","has coordinates","301442","2025-08-04","07:16:21",""
"7056080","10.172","0.0005","11.8006","0.0008","12.8576","0.0007","90.105","0.005","101.559","0.005","94.484","0.005","1507.2","0.15","120","","120","","","","","","","","","3","P -1","-P 1","2","","","","- C72 H64 Cl6 -","- C72 H64 Cl6 -","- C72 H64 Cl6 -","1","0.5","","Zhu, Chongwei; Duhayon, Carine; Romero-Borja, Daniel; Maldonado, Jose-Luis; Ramos-Ortiz, Gabriel; Saquet, Alix; Maraval, Valérie; Chauvin, Remi","Hexaaryl-carbo-benzenes revisited: novel synthetic route, crystallographic data, and prospects of electrochemical behavior","New J. Chem.","2017","41","10","3908","3914","10.1039/C7NJ00028F","","","0.71073","MoKα","","0.0836","0.0529","","0.0793","0.0562","0.0516","","","","","","1.1092","","","","has coordinates","301442","2025-08-04","07:16:22",""
"7056081","12.4948","0.0005","16.0972","0.0006","20.2765","0.0009","90","","90","","90","","4078.2","0.3","100","","100","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C55 H31 Cl3 -","- C55 H31 Cl3 -","- C220 H124 Cl12 -","4","1","","Zhu, Chongwei; Duhayon, Carine; Romero-Borja, Daniel; Maldonado, Jose-Luis; Ramos-Ortiz, Gabriel; Saquet, Alix; Maraval, Valérie; Chauvin, Remi","Hexaaryl-carbo-benzenes revisited: novel synthetic route, crystallographic data, and prospects of electrochemical behavior","New J. Chem.","2017","41","10","3908","3914","10.1039/C7NJ00028F","","","0.71073","MoKα","","0.0461","0.039","","0.0501","0.0393","0.0369","","","","","","1.1134","","","","has coordinates","301442","2025-08-04","07:16:31",""
"7056082","8.291","0.0017","30.783","0.006","7.4857","0.0015","90","","111.19","0.03","90","","1781.3","0.7","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H23 Cl N2 Pd -","- C19 H23 Cl N2 Pd -","- C76 H92 Cl4 N8 Pd4 -","4","1","","Zeng, Yanning; Mahmood, Qaiser; Liang, Tongling; Sun, Wen-Hua","(Co-)polymerization of methylacrylate with NBE/1-hexene by (8-arylimino-5,6,7-trihydroquinolyl)(methyl)palladium chlorides: an approaching mechanism and the polymeric microstructures","New J. Chem.","2017","41","9","3653","","10.1039/C6NJ04019E","","","0.71073","MoKα","","0.0371","0.0352","","","0.0746","0.0789","","","","","","1.011","","","","has coordinates","196496","2020-10-21","18:00:00",""
"7056083","10.871","0.002","29.16","0.006","13.427","0.003","90","","97.44","0.03","90","","4220.5","1.5","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H29 Cl N2 Pd -","- C22 H29 Cl N2 Pd -","- C176 H232 Cl8 N16 Pd8 -","8","2","","Zeng, Yanning; Mahmood, Qaiser; Liang, Tongling; Sun, Wen-Hua","(Co-)polymerization of methylacrylate with NBE/1-hexene by (8-arylimino-5,6,7-trihydroquinolyl)(methyl)palladium chlorides: an approaching mechanism and the polymeric microstructures","New J. Chem.","2017","41","9","3653","","10.1039/C6NJ04019E","","","0.71073","MoKα","","0.094","0.087","","","0.2369","0.2565","","","","","","1.014","","","","has coordinates","196496","2020-10-21","18:00:00",""
"7056084","22.1317","0.0019","7.8771","0.0006","21.0725","0.0018","90","","109.938","0.013","90","","3453.5","0.6","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","{[Cu(dmpzmpy)(C5O5)].H2O}n","","","- C16 H15 Cu N3 O6 -","- C16 H15 Cu N3 O6 -","- C128 H120 Cu8 N24 O48 -","8","1","","Massoud, Salah S.; Williams, Gabrielle F.; Louka, Febee R.; Henary, Maher M.; Herchel, Radovan; Travnicek, Zdenek; Fischer, Roland; Mautner, Franz Andreas","Croconato-bridged copper(II) complexes. Synthesis, structure and magnetic characterization","New J. Chem.","2017","41","10","3846","3856","10.1039/C6NJ03943J","","","0.71073","MoKα","","0.1017","0.096","","","0.2205","0.2234","","","","","","1.282","","","","has coordinates,has disorder","301442","2025-08-04","07:16:33",""
"7056085","13.9834","0.0013","19.8834","0.0019","16.6189","0.0015","90","","112.605","0.004","90","","4265.7","0.7","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","[Cu2(Et4dien)2(C5O5)](ClO4)2.3H2O","","","- C29 H64 Cl2 Cu2 N6 O16 -","- C29 H64 Cl2 Cu2 N6 O16 -","- C116 H256 Cl8 Cu8 N24 O64 -","4","1","","Massoud, Salah S.; Williams, Gabrielle F.; Louka, Febee R.; Henary, Maher M.; Herchel, Radovan; Travnicek, Zdenek; Fischer, Roland; Mautner, Franz Andreas","Croconato-bridged copper(II) complexes. Synthesis, structure and magnetic characterization","New J. Chem.","2017","41","10","3846","3856","10.1039/C6NJ03943J","","","0.71073","MoKα","","0.1276","0.1043","","","0.2423","0.2595","","","","","","1.156","","","","has coordinates,has disorder","301851","2025-08-21","20:32:55",""
"7056086","15.66","0.0012","16.0434","0.0013","20.4427","0.0018","90","","110.511","0.004","90","","4810.4","0.7","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","[Cu2(C5O5)(pmap)2](ClO4)2.2H2O","","","- C45 H48 Cl2 Cu2 N8 O15 -","- C45 H48 Cl2 Cu2 N8 O15 -","- C180 H192 Cl8 Cu8 N32 O60 -","4","2","","Massoud, Salah S.; Williams, Gabrielle F.; Louka, Febee R.; Henary, Maher M.; Herchel, Radovan; Travnicek, Zdenek; Fischer, Roland; Mautner, Franz Andreas","Croconato-bridged copper(II) complexes. Synthesis, structure and magnetic characterization","New J. Chem.","2017","41","10","3846","3856","10.1039/C6NJ03943J","","","0.71073","MoKα","","0.1052","0.0704","","","0.1575","0.1762","","","","","","1.076","","","","has coordinates,has disorder","301851","2025-08-21","20:32:55",""
"7056087","15.885","0.005","14.941","0.005","16.117","0.005","90","","110.875","0.005","90","","3574","2","296","2","296","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C86 H64 Cu4 N10 O19 -","- C80 H48 Cu4 N8 O17 -","- C160 H96 Cu8 N16 O34 -","2","0.5","","Yang, Liu; Li, Xiao; Sun, Chun-Yi; Wu, Han; Wang, Chun-Gang; Su, Zhong-Min","A stable pillared-layer Cu(ii) metal‒organic framework with magnetic properties for dye adsorption and separation","New J. Chem.","2017","41","9","3661","","10.1039/C7NJ00389G","","","0.71069","MoKα","","0.0956","0.0563","","","0.119","0.1355","","","","","","0.998","","","","has coordinates","196493","2020-10-21","18:00:00",""
"7056088","12.6563","0.001","17.4377","0.0017","23.663","0.003","90","","102.451","0.011","90","","5099.5","0.9","173","2","173.15","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C57 H57 Cl3 O12 -","- C57 H57 Cl3 O12 -","- C228 H228 Cl12 O48 -","4","0.5","","Boinski, Tomasz; Szumna, Agnieszka","Hybrid[4]arenes with anthracene units and tuneable cavities","New J. Chem.","2017","41","9","3387","","10.1039/C7NJ00039A","","","1.54184","CuKα","","0.1737","0.1234","","","0.3838","0.4288","","","","","","1.345","","","","has coordinates,has disorder","301851","2025-08-21","20:32:55",""
"7056089","8.2328","0.0003","13.6539","0.0006","10.9324","0.0005","90","","102.002","0.002","90","","1202.05","0.09","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C9 H9 Au Cl3 N -","- C9 H9 Au Cl3 N -","- C36 H36 Au4 Cl12 N4 -","4","1","","Anisimova, Tatyana B.; Kinzhalov, Mikhail A.; Guedes da Silva, M. Fátima C.; Novikov, Alexander S.; Kukushkin, Vadim Yu.; Pombeiro, Armando J. L.; Luzyanin, Konstantin V.","Addition of N-nucleophiles to gold(iii)-bound isocyanides leading to short-lived gold(iii) acyclic diaminocarbene complexes","New J. Chem.","2017","41","9","3246","","10.1039/C7NJ00529F","","","0.71073","MoKα","","0.0378","0.0301","","","0.0703","0.0731","","","","","","1.117","","","","has coordinates","196491","2020-10-21","18:00:00",""
"7056090","8.9036","0.0005","21.1337","0.0013","26.6726","0.0016","90","","90","","90","","5018.9","0.5","150","2","150","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C16 H24 Au Cl5 N2 -","- C16 H24 Au Cl5 N2 -","- C128 H192 Au8 Cl40 N16 -","8","1","","Anisimova, Tatyana B.; Kinzhalov, Mikhail A.; Guedes da Silva, M. Fátima C.; Novikov, Alexander S.; Kukushkin, Vadim Yu.; Pombeiro, Armando J. L.; Luzyanin, Konstantin V.","Addition of N-nucleophiles to gold(iii)-bound isocyanides leading to short-lived gold(iii) acyclic diaminocarbene complexes","New J. Chem.","2017","41","9","3246","","10.1039/C7NJ00529F","","","0.71073","MoKα","","0.0834","0.053","","","0.1278","0.142","","","","","","1.013","","","","has coordinates","196491","2020-10-21","18:00:00",""
"7056091","10.0454","0.001","14.1896","0.0012","19.4905","0.0018","90","","93.721","0.005","90","","2772.3","0.4","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H22 Au Cl6 N3 -","- C23 H22 Au Cl6 N3 -","- C92 H88 Au4 Cl24 N12 -","4","1","","Anisimova, Tatyana B.; Kinzhalov, Mikhail A.; Guedes da Silva, M. Fátima C.; Novikov, Alexander S.; Kukushkin, Vadim Yu.; Pombeiro, Armando J. L.; Luzyanin, Konstantin V.","Addition of N-nucleophiles to gold(iii)-bound isocyanides leading to short-lived gold(iii) acyclic diaminocarbene complexes","New J. Chem.","2017","41","9","3246","","10.1039/C7NJ00529F","","","0.71073","MoKα","","0.0499","0.0312","","","0.0608","0.0661","","","","","","1.012","","","","has coordinates","196491","2020-10-21","18:00:00",""
"7056092","19.1011","0.0005","9.0666","0.00019","32.4789","0.0008","90","","90","","90","","5624.8","0.2","175.6","0.8","175.6","0.8","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H28 N4 O18 Pb4 -","- C20 H26 N4 O18 Pb4 -","- C160 H208 N32 O144 Pb32 -","8","1","","Dai, Jun-Wei; zheng, jianmei; Li, Haiyan; Zhou, Jin-Mei; Dong, Xin; Zhou, Zhao-Hui","Halide assisted formations of polymeric ethylenediaminetetraacetato lead(II) complexes","New J. Chem.","2017","41","12","5198","5204","10.1039/C7NJ00611J","","","0.71073","MoKα","","0.0675","0.0423","","","0.0675","0.0736","","","","","","1.066","","","","has coordinates,has disorder","301442","2025-08-04","07:16:45",""
"7056093","7.5204","0.0004","8.8464","0.0004","13.5079","0.0005","72.888","0.004","81.027","0.004","75.571","0.004","828.46","0.07","173","","173","","","","","","","","","6","P -1","-P 1","2","","","","- C20 H32 Cl2 N4 O20 Pb5 -","- C20 H32 Cl2 N4 O20 Pb5 -","- C20 H32 Cl2 N4 O20 Pb5 -","1","0.5","","Dai, Jun-Wei; zheng, jianmei; Li, Haiyan; Zhou, Jin-Mei; Dong, Xin; Zhou, Zhao-Hui","Halide assisted formations of polymeric ethylenediaminetetraacetato lead(II) complexes","New J. Chem.","2017","41","12","5198","5204","10.1039/C7NJ00611J","","","0.71073","MoKα","","0.03","0.0258","","","0.0596","0.0608","","","","","","1.009","","","","has coordinates","301442","2025-08-04","07:16:47",""
"7056094","8.4173","0.0005","8.4523","0.0006","11.035","0.0008","71.442","0.007","89.744","0.005","76.903","0.006","722.96","0.09","178.7","0.7","178.7","0.7","","","","","","","","5","P -1","-P 1","2","","","","- C20 H28 N4 O18 Pb4 -","- C20 H28 N4 O18 Pb4 -","- C20 H28 N4 O18 Pb4 -","1","0.5","","Dai, Jun-Wei; zheng, jianmei; Li, Haiyan; Zhou, Jin-Mei; Dong, Xin; Zhou, Zhao-Hui","Halide assisted formations of polymeric ethylenediaminetetraacetato lead(II) complexes","New J. Chem.","2017","41","12","5198","5204","10.1039/C7NJ00611J","","","0.71073","MoKα","","0.0462","0.0363","","","0.0684","0.0721","","","","","","1.041","","","","has coordinates","301442","2025-08-04","07:16:57",""
"7056095","7.5998","0.001","8.8154","0.0012","13.729","0.0018","72.365","0.012","80.702","0.011","75.351","0.011","844.5","0.2","176.8","0.3","176.8","0.3","","","","","","","","6","P -1","-P 1","2","","","","- C20 H32 Br2 N4 O20 Pb5 -","- C20 H32 Br2 N4 O20 Pb5 -","- C20 H32 Br2 N4 O20 Pb5 -","1","0.5","","Dai, Jun-Wei; zheng, jianmei; Li, Haiyan; Zhou, Jin-Mei; Dong, Xin; Zhou, Zhao-Hui","Halide assisted formations of polymeric ethylenediaminetetraacetato lead(II) complexes","New J. Chem.","2017","41","12","5198","5204","10.1039/C7NJ00611J","","","0.71073","MoKα","","0.0798","0.0645","","","0.1338","0.1439","","","","","","1.037","","","","has coordinates","301442","2025-08-04","07:17:04",""
"7056096","9.9725","0.0006","13.6991","0.0008","16.1145","0.0009","76.131","0.003","74.391","0.003","84.035","0.003","2056.6","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H15 N O8 -","- C25 H15 N O8 -","- C100 H60 N4 O32 -","4","2","","., Mayank; Singh, Amanpreet; Raj, Pushap; Kaur, Randeep; Singh, Ajnesh; Kaur, Navneet; Singh, Narinder","Zwitterionic Liquid (ZIL) Coated CuO as an Efficient Catalyst for the Green Syntheses of Bis-Coumarins derivatives via One-Pot Multi-component Reactions Using Mechanochemistry","New J. Chem.","2017","41","10","3872","3881","10.1039/C6NJ03763A","","","0.71073","MoKα","","0.1877","0.0989","","","0.1657","0.1874","","","","","","1.052","","","","has coordinates","301851","2025-08-21","20:32:55",""
"7056097","9.1088","0.0004","9.372","0.0004","13.9495","0.0005","97.358","0.001","92.518","0.002","118.232","0.001","1033.06","0.07","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C11 H10 N2 O4 -","- C11 H10 N2 O4 -","- C44 H40 N8 O16 -","4","2","","., Mayank; Singh, Amanpreet; Raj, Pushap; Kaur, Randeep; Singh, Ajnesh; Kaur, Navneet; Singh, Narinder","Zwitterionic Liquid (ZIL) Coated CuO as an Efficient Catalyst for the Green Syntheses of Bis-Coumarins derivatives via One-Pot Multi-component Reactions Using Mechanochemistry","New J. Chem.","2017","41","10","3872","3881","10.1039/C6NJ03763A","","","0.71073","MoKα","","0.0467","0.0391","","","0.1095","0.1149","","","","","","1.06","","","","has coordinates,has disorder","301851","2025-08-21","20:32:55",""
"7056098","7.7936","0.0001","26.5402","0.0002","7.988","0.0001","90","","90.009","0.001","90","","1652.27","0.03","293","2","293","2","","","","","","","Fungus","4","P 1 21 1","P 2yb","4","YX","Talaramide A","","- C18 H21 N O5 -","- C18 H21 N O5 -","- C72 H84 N4 O20 -","4","2","","Chen, Senhua; He, Liqing; Dongni, Chen; Cai, Ruilin; long, yuhua; Lu, Yongjun; She, Zhi-Gang","Talaramide A, an Unusual Alkaloid from the Mangrove Endophytic Fungus Talaromyces sp. (HZ-YX1) as Inhibitor of Mycobacterial PknG","New J. Chem.","2017","41","11","4273","4276","10.1039/C7NJ00059F","","","1.54178","CuKα","","0.047","0.046","","","0.1252","0.1258","","","","","","1.175","","","","has coordinates","301851","2025-08-21","20:32:55",""
"7056099","6.5577","0.0007","31.045","0.003","5.842","0.0006","90","","95.054","0.002","90","","1184.7","0.2","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C6 H6 N12 O4 -","- C6 H6 N12 O4 -","- C24 H24 N48 O16 -","4","1","","Shreeve, Jean'ne M.; Kumar, Dheeraj; Imler, Gregory H.; Parrish, Damon A.","Resolving Synthetic Challenges Faced in the Syntheses of Asymmetric N,N’-Ethylene-Bridged Energetic Compounds","New J. Chem.","2017","41","10","4040","4047","10.1039/C7NJ00327G","","","0.71073","MoKα","","0.0444","0.0353","","","0.0862","0.0909","","","","","","1.039","","","","has coordinates","301851","2025-08-21","20:32:55",""
"7056100","29.426","0.004","8.4217","0.0011","11.1029","0.0014","90","","100.699","0.005","90","","2703.7","0.6","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H4 N13 Na O6 -","- C6 H4 N13 Na O6 -","- C48 H32 N104 Na8 O48 -","8","2","","Shreeve, Jean'ne M.; Kumar, Dheeraj; Imler, Gregory H.; Parrish, Damon A.","Resolving Synthetic Challenges Faced in the Syntheses of Asymmetric N,N’-Ethylene-Bridged Energetic Compounds","New J. Chem.","2017","41","10","4040","4047","10.1039/C7NJ00327G","","","0.71073","MoKα","","0.1383","0.0765","","","0.1766","0.2025","","","","","","1.032","","","","has coordinates","301851","2025-08-21","20:32:55",""
"7056101","11.9211","0.0005","8.3391","0.0004","8.476","0.0004","90","","90","","90","","842.61","0.07","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C4 H3 N5 O6 -","- C4 H3 N5 O6 -","- C16 H12 N20 O24 -","4","1","","Ma, Qing; Jiang, Tao; Chi, Yu; Chen, Ya; Wang, Jun; Huang, Jinglun; Nie, Fude","A novel multi-nitrogen 2,4,6,8,10,12-hexanitrohexaazaisowurtzitane based energetic cocrystal with 1-methyl-3,4,5-trinitropyrazole as a donor: experimental and theoretical investigations of intermolecular interactions","New J. Chem.","2017","41","10","4165","4172","10.1039/C6NJ03976F","","","0.71073","MoKα","","0.0499","0.0386","","","0.0796","0.0912","","","","","","1.044","","","","has coordinates","301851","2025-08-21","20:32:55",""
"7056102","8.3515","0.0003","11.4299","0.0007","11.9398","0.0006","90","","98.663","0.004","90","","1126.73","0.1","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C10 H9 N17 O18 -","- C10 H9 N17 O18 -","- C20 H18 N34 O36 -","2","1","","Ma, Qing; Jiang, Tao; Chi, Yu; Chen, Ya; Wang, Jun; Huang, Jinglun; Nie, Fude","A novel multi-nitrogen 2,4,6,8,10,12-hexanitrohexaazaisowurtzitane based energetic cocrystal with 1-methyl-3,4,5-trinitropyrazole as a donor: experimental and theoretical investigations of intermolecular interactions","New J. Chem.","2017","41","10","4165","4172","10.1039/C6NJ03976F","","","0.71073","MoKα","","0.0719","0.0487","","","0.0855","0.0996","","","","","","1.044","","","","has coordinates","301851","2025-08-21","20:32:55",""
"7056103","5.2605","0.0011","9.4604","0.0019","20.691","0.004","90","","90.7","0.03","90","","1029.6","0.4","293","2","293","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- C30 H22 -","- C30 H22 -","- C60 H44 -","2","0.5","","Wu, Dong-En; Wang, Man-Ning; Luo, Yang-Hui; Zhang, Yawen; Ma, Yu-Heng; Sun, Baiwang","Tuning the structures and photophysical properties of 9,10-distyrylanthrance (DSA) via fluorine substitution","New J. Chem.","2017","41","10","4220","4233","10.1039/C6NJ03884K","","","0.71073","MoKα","","0.1681","0.0846","","","0.164","0.194","","","","","","1.003","","","","has coordinates","301442","2025-08-04","07:17:27",""
"7056104","9.363","0.0019","5.22","0.001","21.662","0.004","90","","96.92","0.03","90","","1051","0.4","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C30 H20 F2 -","- C30 H20 F2 -","- C60 H40 F4 -","2","0.5","","Wu, Dong-En; Wang, Man-Ning; Luo, Yang-Hui; Zhang, Yawen; Ma, Yu-Heng; Sun, Baiwang","Tuning the structures and photophysical properties of 9,10-distyrylanthrance (DSA) via fluorine substitution","New J. Chem.","2017","41","10","4220","4233","10.1039/C6NJ03884K","","","0.71073","MoKα","","0.1498","0.1188","","","0.3553","0.3852","","","","","","1.455","","","","has coordinates","301851","2025-08-21","20:32:55",""
"7056105","9.408","0.0019","10.249","0.002","12.766","0.003","106.25","0.03","90.87","0.03","115.16","0.03","1056.8","0.5","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C30 H20 F2 -","- C30 H20 F2 -","- C60 H40 F4 -","2","1","","Wu, Dong-En; Wang, Man-Ning; Luo, Yang-Hui; Zhang, Yawen; Ma, Yu-Heng; Sun, Baiwang","Tuning the structures and photophysical properties of 9,10-distyrylanthrance (DSA) via fluorine substitution","New J. Chem.","2017","41","10","4220","4233","10.1039/C6NJ03884K","","","0.71073","MoKα","","0.1324","0.0679","","","0.1579","0.1926","","","","","","1.003","","","","has coordinates","301442","2025-08-04","07:17:27",""
"7056106","8.4268","0.0003","9.2446","0.0003","12.4656","0.0004","81.2037","0.0013","85.3644","0.0016","84.7588","0.0016","953.46","0.06","296","2","296","2","","","","","","","","5","P -1","-P 1","2","Ethyl chalcone","(E)-3-(4-(bis(2-chloroethyl)amino)phenyl)-1-(4-ethylphenyl)prop-2-en-1-one","","- C21 H23 Cl2 N O -","- C21 H23 Cl2 N O -","- C42 H46 Cl4 N2 O2 -","2","1","","Xavier, Janet Sabina; Karthikeyan, J.; Velmurugan, Gunasekaran; Manoharan, Muthu Tamizh; Shetty, A. Nityananda","Design and in vitro biological evaluation of substituted chalcones synthesized from Nitrogen mustards as potent microtubule targeted anticancer agents","New J. Chem.","2017","41","10","4096","4109","10.1039/C7NJ00265C","","","0.71073","MoKα","","0.0577","0.0453","","","0.1177","0.1277","","","","","","1.057","","","","has coordinates","301851","2025-08-21","20:32:55",""
"7056107","14.8845","0.0004","16.7875","0.001","8.0709","0.0009","90","","91.708","0.003","90","","2015.8","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Chalcone","","- C21 H23 Cl2 N O3 -","- C21 H23 Cl2 N O3 -","- C84 H92 Cl8 N4 O12 -","4","1","","Xavier, Janet Sabina; Karthikeyan, J.; Velmurugan, Gunasekaran; Manoharan, Muthu Tamizh; Shetty, A. Nityananda","Design and in vitro biological evaluation of substituted chalcones synthesized from Nitrogen mustards as potent microtubule targeted anticancer agents","New J. Chem.","2017","41","10","4096","4109","10.1039/C7NJ00265C","","","0.71073","MoKα","","0.0922","0.0458","","","0.1094","0.1472","","","","","","1.063","","","","has coordinates,has disorder","301851","2025-08-21","20:32:55",""
"7056108","8.3361","0.0003","9.1285","0.0004","12.246","0.0005","81.63","0.002","84.562","0.002","83.133","0.002","912.49","0.06","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Methoxy chalcone","","- C20 H21 Cl2 N O2 -","- C20 H21 Cl2 N O2 -","- C40 H42 Cl4 N2 O4 -","2","1","","Xavier, Janet Sabina; Karthikeyan, J.; Velmurugan, Gunasekaran; Manoharan, Muthu Tamizh; Shetty, A. Nityananda","Design and in vitro biological evaluation of substituted chalcones synthesized from Nitrogen mustards as potent microtubule targeted anticancer agents","New J. Chem.","2017","41","10","4096","4109","10.1039/C7NJ00265C","","","0.71073","MoKα","","0.0595","0.0404","","","0.1091","0.1373","","","","","","0.872","","","","has coordinates,has disorder","301851","2025-08-21","20:32:55",""
"7056109","8.099","0.0002","9.3548","0.0002","12.8639","0.0004","75.6264","0.0012","79.1564","0.0013","79.016","0.0013","916.6","0.04","296","2","296","2","","","","","","","","6","P -1","-P 1","2","Bromo chalcone","(E)-3-(4-(bis(2-chloroethyl)amino)phenyl)-1-(4-bromophenyl)prop-2-en-1-one","","- C19 H18 Br Cl2 N O -","- C18.99 H17.98 Br Cl2 N O -","- C37.98 H35.96 Br2 Cl4 N2 O2 -","2","1","","Xavier, Janet Sabina; Karthikeyan, J.; Velmurugan, Gunasekaran; Manoharan, Muthu Tamizh; Shetty, A. Nityananda","Design and in vitro biological evaluation of substituted chalcones synthesized from Nitrogen mustards as potent microtubule targeted anticancer agents","New J. Chem.","2017","41","10","4096","4109","10.1039/C7NJ00265C","","","0.71073","MoKα","","0.0501","0.0364","","","0.0747","0.0808","","","","","","1.033","","","","has coordinates,has disorder","301442","2025-08-04","07:17:29",""
"7056110","8.1897","0.0004","9.3642","0.0004","12.3569","0.0006","77.946","0.002","81.053","0.002","83.095","0.003","911.7","0.07","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Chalcone","","- C20 H21 Cl2 N O -","- C20 H21 Cl2 N O -","- C40 H42 Cl4 N2 O2 -","2","1","","Xavier, Janet Sabina; Karthikeyan, J.; Velmurugan, Gunasekaran; Manoharan, Muthu Tamizh; Shetty, A. Nityananda","Design and in vitro biological evaluation of substituted chalcones synthesized from Nitrogen mustards as potent microtubule targeted anticancer agents","New J. Chem.","2017","41","10","4096","4109","10.1039/C7NJ00265C","","","0.71073","MoKα","","0.0757","0.0428","","","0.1058","0.1319","","","","","","1.064","","","","has coordinates,has disorder","301851","2025-08-21","20:32:55",""
"7056111","8.0622","0.0005","9.3324","0.0006","12.5869","0.0008","78.365","0.003","81.741","0.004","81.832","0.004","911.68","0.1","296","2","296","2","","","","","","","","5","P -1","-P 1","2","Nitrochalcone","(E)-3-(4-(bis(2-chloroethyl)amino)phenyl)-1-(4-nitrophenyl)prop-2-en-1-one","","- C19 H18 Cl2 N2 O3 -","- C19 H18 Cl2 N2 O3 -","- C38 H36 Cl4 N4 O6 -","2","1","","Xavier, Janet Sabina; Karthikeyan, J.; Velmurugan, Gunasekaran; Manoharan, Muthu Tamizh; Shetty, A. Nityananda","Design and in vitro biological evaluation of substituted chalcones synthesized from Nitrogen mustards as potent microtubule targeted anticancer agents","New J. Chem.","2017","41","10","4096","4109","10.1039/C7NJ00265C","","","0.71073","MoKα","","0.0792","0.064","","","0.1984","0.2187","","","","","","1.065","","","","has coordinates","301851","2025-08-21","20:32:55",""
"7056112","7.2755","0.0003","12.9036","0.0005","13.5575","0.0005","100.275","0.002","92.818","0.002","96.958","0.002","1239.88","0.08","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H22 N8 Ni O2 -","- C26 H22 N8 Ni O2 -","- C52 H44 N16 Ni2 O4 -","2","1","","Pramanik, Shuvam; Dutta, Suhana; Roy, Sima; Dinda, Soumitra; Ghorui, Tapas; Mitra, Arup Kumar; Pramanik, Kausikisankar; Ganguly, Sanjib","Luminescent Closed Shell Nickel(II) Pyridyl-azo-oximates and the Open Shell Anion Radical Congener: Molecular and Electronic Structure, Ligand Redox and Biological Activity","New J. Chem.","2017","41","10","4157","4164","10.1039/C7NJ00402H","","","0.71073","MoKα","","0.0416","0.0329","","","0.1004","0.1092","","","","","","0.899","","","","has coordinates","301442","2025-08-04","07:17:29",""
"7056113","15.1732","0.0011","15.568","0.0011","22.2494","0.0016","78.053","0.001","83.127","0.001","62.745","0.001","4569.1","0.6","173","2","173.15","","","","","","","","","7","P -1","-P 1","2","","","","- C92 H72 Ag2 F12 N8 O8 P2 -","- C92 H72 Ag2 F12 N8 O8 P2 -","- C184 H144 Ag4 F24 N16 O16 P4 -","2","1","","Liu, Qingxiang; Wei, Deng-Che; Zhao, Dong-Xue; Sun, Xiao-Feng; Zhao, Zhi-Xiang; Yan, Jing","Macrometallocycle binuclear NHC silver(I) complexes: synthesis, structure and recognition for o-phenylenediamine","New J. Chem.","2017","41","12","4843","4852","10.1039/C7NJ00276A","","","0.71073","MoKα","","0.1152","0.0949","","","0.2722","0.2908","","","","","","1.156","","","","has coordinates","301442","2025-08-04","07:17:30",""
"7056114","11.1719","0.0004","11.2926","0.0004","28.5875","0.001","90","","98.454","0.001","90","","3567.4","0.2","296","2","296.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C76 H64 Ag2 F12 N8 O8 P2 -","- C76 H64 Ag2 F12 N8 O8 P2 -","- C152 H128 Ag4 F24 N16 O16 P4 -","2","0.5","","Liu, Qingxiang; Wei, Deng-Che; Zhao, Dong-Xue; Sun, Xiao-Feng; Zhao, Zhi-Xiang; Yan, Jing","Macrometallocycle binuclear NHC silver(I) complexes: synthesis, structure and recognition for o-phenylenediamine","New J. Chem.","2017","41","12","4843","4852","10.1039/C7NJ00276A","","","0.71073","MoKα","","0.0693","0.06","","","0.142","0.1498","","","","","","1.031","","","","has coordinates,has disorder","301442","2025-08-04","07:17:31",""
"7056115","9.3833","0.0006","20.3902","0.0013","25.4603","0.0016","82.388","0.001","80.031","0.001","85.566","0.002","4748","0.5","173","2","173.15","","","","","","","","","8","P -1","-P 1","2","","","","- C195.4 H165.8 Ag4 Cl1.4 F24 N17 O16 P4 -","- C195.4 H165.8 Ag4 Cl1.4 F24 N17 O16 P4 -","- C195.4 H165.8 Ag4 Cl1.4 F24 N17 O16 P4 -","1","0.5","","Liu, Qingxiang; Wei, Deng-Che; Zhao, Dong-Xue; Sun, Xiao-Feng; Zhao, Zhi-Xiang; Yan, Jing","Macrometallocycle binuclear NHC silver(I) complexes: synthesis, structure and recognition for o-phenylenediamine","New J. Chem.","2017","41","12","4843","4852","10.1039/C7NJ00276A","","","0.71073","MoKα","","0.1133","0.084","","","0.2218","0.2501","","","","","","1.043","","","","has coordinates,has disorder","301851","2025-08-21","20:32:55",""
"7056116","14.458","0.003","14.898","0.003","37.068","0.006","90","","97.327","0.003","90","","7919","3","296","2","296.15","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C80.5 H73 Ag2 Cl F12 N8 O8 P2 -","- C80.5 H73 Ag2 Cl F12 N8 O8 P2 -","- C322 H292 Ag8 Cl4 F48 N32 O32 P8 -","4","1","","Liu, Qingxiang; Wei, Deng-Che; Zhao, Dong-Xue; Sun, Xiao-Feng; Zhao, Zhi-Xiang; Yan, Jing","Macrometallocycle binuclear NHC silver(I) complexes: synthesis, structure and recognition for o-phenylenediamine","New J. Chem.","2017","41","12","4843","4852","10.1039/C7NJ00276A","","","0.71073","MoKα","","0.073","0.0596","","","0.1683","0.1823","","","","","","1.028","","","","has coordinates","301851","2025-08-21","20:32:55",""
"7056117","7.2202","0.0002","10.6578","0.0003","20.9068","0.0005","90","","90","","90","","1608.81","0.07","297","2","297","2","","","","","","","(-)-Menthyl diazoacetate and acrylonitrile","4","P 21 21 21","P 2ac 2ab","19","","(5R)-5-cyano-3-carbmenthoxy-2-pyrazoline","","- C15 H23 N3 O2 -","- C15 H23 N3 O2 -","- C60 H92 N12 O8 -","4","1","","Chen, Cheng; Li, Yan; Jia, Xiangxiang; Li, Feifei; Chen, Fangjuan; Liu, Lijian","Wavelength-Focused Organic Molecule Materials with Diazoacetate or Fumarate as Monofluorophore","New J. Chem.","2017","41","10","3719","3722","10.1039/C6NJ03952A","","","1.54178","CuKα","","0.0335","0.0276","","","0.075","0.0753","","","","","","1.057","","","","has coordinates","301851","2025-08-21","20:32:55",""
"7056118","17.6722","0.0007","17.3463","0.0007","7.397","0.0003","90","","90","","90","","2267.53","0.16","296","2","296","2","","","","","","","","6","A e a 2","A 2 -2ab","41","","","","- C18 H22 Cl2 Cu N8 O3 -","- C18 H22 Cl2 Cu N8 O3 -","- C72 H88 Cl8 Cu4 N32 O12 -","4","0.5","","Lavrenova, Ludmila G.; Kuz'menko, Tatyana A.; Ivanova, Alina D.; Smolentsev, Anton I.; Komarov, Vladislav; Bogomyakov, Artem Stepanovich; Sheludyakova, Lilia A.; Vorontsova, Elena V.","Synthesis, magnetic and cytotoxic properties of copper(II) halide complexes with 1,2,4-triazolo[1,5-a] benzimidazoles","New J. Chem.","2017","41","11","4341","4347","10.1039/C7NJ00533D","","","0.71073","MoKα","","0.0295","0.0278","","","0.0753","0.0763","","","","","","1.066","","","","has coordinates","301442","2025-08-04","07:17:31",""
"7056119","18.028","0.003","7.2842","0.0012","17.278","0.002","90","","92.963","0.01","90","","2265.9","0.6","303","","303","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C18 H22 Br2 Cu N8 O3 -","- C18 H22 Br2 Cu N8 O3 -","- C72 H88 Br8 Cu4 N32 O12 -","4","0.5","","Lavrenova, Ludmila G.; Kuz'menko, Tatyana A.; Ivanova, Alina D.; Smolentsev, Anton I.; Komarov, Vladislav; Bogomyakov, Artem Stepanovich; Sheludyakova, Lilia A.; Vorontsova, Elena V.","Synthesis, magnetic and cytotoxic properties of copper(II) halide complexes with 1,2,4-triazolo[1,5-a] benzimidazoles","New J. Chem.","2017","41","11","4341","4347","10.1039/C7NJ00533D","","","1.54178","CuKα","","0.0666","0.0551","","","0.1406","0.1452","","","","","","1.116","","","","has coordinates","301442","2025-08-04","07:17:32",""
"7056120","13.9357","0.0003","6.6873","0.0001","27.1213","0.0004","90","","92.325","0.001","90","","2525.41","0.08","273","2","273","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C16 H26 Cl2 Cu N6 O8 S2 -","- C16 H26 Cl2 Cu N6 O8 S2 -","- C64 H104 Cl8 Cu4 N24 O32 S8 -","4","0.5","","Das, Saurabh; Santra, Ramesh Chandra; Ganguly, Durba; Jana, Subrata; Banyal, Neha; Singh, Jyotsna; Saha, Abhijit; Chattopadhyay, Shouvik; Mukhopadhyay, Kasturi","Synthesizing a CuII complex of tinidazole to tune the generation of the nitro radical anion in order to strike a balance between efficacy and toxic side effects","New J. Chem.","2017","41","12","4879","4886","10.1039/C7NJ00261K","","","0.71073","MoKα","","0.0356","0.0306","","","0.0829","0.0866","","","","","","1.057","","","","has coordinates","301442","2025-08-04","07:17:32",""
"7056121","10.4417","0.0003","17.767","0.0005","10.7908","0.0003","90","","101.367","0.001","90","","1962.62","0.1","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H15 N4 O5 V -","- C22 H15 N4 O5 V -","- C88 H60 N16 O20 V4 -","4","1","","Shit, Madhusudan; Bera, Sachinath; Maity, Suvendu; Weyhermueller, Thomas; Ghosh, Prasanta","Coordination of o-benzosemiquinonate, o-iminobenzosemiquinonate and aldimine anion radicals to oxidovanadium(IV)","New J. Chem.","2017","41","11","4564","4572","10.1039/C7NJ00186J","","","0.71073","MoKα","","0.0872","0.0557","","","0.135","0.1565","","","","","","1.022","","","","has coordinates","301851","2025-08-21","20:32:55",""
"7056122","15.194","0.002","19.427","0.002","9.3109","0.0005","90","","106.744","0.006","90","","2631.8","0.5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H31 N2 O4 V -","- C30 H31 N2 O4 V -","- C120 H124 N8 O16 V4 -","4","1","","Shit, Madhusudan; Bera, Sachinath; Maity, Suvendu; Weyhermueller, Thomas; Ghosh, Prasanta","Coordination of o-benzosemiquinonate, o-iminobenzosemiquinonate and aldimine anion radicals to oxidovanadium(IV)","New J. Chem.","2017","41","11","4564","4572","10.1039/C7NJ00186J","","","0.71073","MoKα","","0.0437","0.0336","","","0.0842","0.0908","","","","","","1.052","","","","has coordinates","301851","2025-08-21","20:32:55",""
"7056123","15.213","0.003","9.5292","0.0012","12.588","0.002","90","","99.66","0.02","90","","1799","0.5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H18 N2 O4 V -","- C21 H18 N2 O4 V -","- C84 H72 N8 O16 V4 -","4","1","","Shit, Madhusudan; Bera, Sachinath; Maity, Suvendu; Weyhermueller, Thomas; Ghosh, Prasanta","Coordination of o-benzosemiquinonate, o-iminobenzosemiquinonate and aldimine anion radicals to oxidovanadium(IV)","New J. Chem.","2017","41","11","4564","4572","10.1039/C7NJ00186J","","","0.71073","MoKα","","0.0819","0.0479","","","0.0903","0.1031","","","","","","1.06","","","","has coordinates","301851","2025-08-21","20:32:55",""
"7056124","29.889","0.002","14.192","0.0008","20.2188","0.0013","90","","129.985","0.004","90","","6571.4","0.8","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C32.5 H23 Cl N4 O8 S V2 -","- C32.5 H23 Cl N4 O8 S V2 -","- C260 H184 Cl8 N32 O64 S8 V16 -","8","1","","Shit, Madhusudan; Bera, Sachinath; Maity, Suvendu; Weyhermueller, Thomas; Ghosh, Prasanta","Coordination of o-benzosemiquinonate, o-iminobenzosemiquinonate and aldimine anion radicals to oxidovanadium(IV)","New J. Chem.","2017","41","11","4564","4572","10.1039/C7NJ00186J","","","0.71073","MoKα","","0.0781","0.0569","","","0.1603","0.1851","","","","","","1.054","","","","has coordinates","301442","2025-08-04","07:17:34",""
"7056125","14.6581","0.0002","16.2338","0.0002","16.55","0.0002","90","","92.759","0.001","90","","3933.62","0.09","293","2","293","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","ct-[RuCl(CO)(dppb)(bipy)]PF6","","- C39 H36 Cl F6 N2 O P3 Ru -","- C39 H36 Cl F6 N2 O P3 Ru -","- C156 H144 Cl4 F24 N8 O4 P12 Ru4 -","4","1","","Barbosa, Marilia; Correa, Rodrigo S.; Bastos, Tanira; Pozzi, Lucas; Moreira, Diogo R.; Ellena, Javier A.; Doriguetto, Antonio C.; Silveira, Rafael; Rodrigues de Oliveira, Clayton; Kuznetsov, Aleksey E.; Malta, Valeria rodrigues dos santos; Soares, Milena Botelho; Batista, Alzir A.","Structural isomerism of Ru(II)-carbonyl complexes: synthesis, characterization and their antitrypanosomal activities","New J. Chem.","2017","41","11","4468","4477","10.1039/C7NJ00125H","","x-ray","0.7107","MoKα","","0.0783","0.0533","","","0.1388","0.1659","","","","","","1.063","","","","has coordinates","301442","2025-08-04","07:17:34",""
"7056126","12.495","0.0004","16.3401","0.0006","19.2663","0.0006","90","","101.085","0.002","90","","3860.2","0.2","293","2","293","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C41 H36 Cl F6 N2 O P3 Ru -","- C41 H36 Cl F6 N2 O P3 Ru -","- C164 H144 Cl4 F24 N8 O4 P12 Ru4 -","4","1","","Barbosa, Marilia; Correa, Rodrigo S.; Bastos, Tanira; Pozzi, Lucas; Moreira, Diogo R.; Ellena, Javier A.; Doriguetto, Antonio C.; Silveira, Rafael; Rodrigues de Oliveira, Clayton; Kuznetsov, Aleksey E.; Malta, Valeria rodrigues dos santos; Soares, Milena Botelho; Batista, Alzir A.","Structural isomerism of Ru(II)-carbonyl complexes: synthesis, characterization and their antitrypanosomal activities","New J. Chem.","2017","41","11","4468","4477","10.1039/C7NJ00125H","","x-ray","0.71073","MoKα","","0.0589","0.0579","","","0.1331","0.1338","","","","","","1.201","","","","has coordinates","301442","2025-08-04","07:17:35",""
"7056127","15.396","0.007","15.396","0.007","14.482","0.015","90","","90","","90","","3433","4","296","2","296","2","","","","","","","","5","I -4 2 d","I -4 2bw","122","","","","- C44 H20 F8 N4 Pt -","- C44 H20 F8 N4 Pt -","- C176 H80 F32 N16 Pt4 -","4","0.25","","Arunkumar, Chellaiah; Kooriyaden, Fasalu Rahman; Zhang, Xiaochen; Subramaniam, Sujatha; Zhao, Jianzhang","Fluorinated meso-tetraaryl Pt(II)-porphyrins: Structure, Photophysical, Electrochemical and Phosphorescent Oxygen Sensing Studies","New J. Chem.","2017","41","12","4908","4917","10.1039/C7NJ01141E","","","0.71073","MoKα","","0.0415","0.0307","","","0.0755","0.0984","","","","","","1.176","","","","has coordinates","301851","2025-08-21","20:32:55",""
"7056128","16.2871","0.0007","8.7492","0.0003","16.0372","0.0005","90","","113.761","0.002","90","","2091.57","0.14","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C48 H24 F12 N4 Pt -","- C48 H24 F12 N4 Pt -","- C96 H48 F24 N8 Pt2 -","2","0.5","","Arunkumar, Chellaiah; Kooriyaden, Fasalu Rahman; Zhang, Xiaochen; Subramaniam, Sujatha; Zhao, Jianzhang","Fluorinated meso-tetraaryl Pt(II)-porphyrins: Structure, Photophysical, Electrochemical and Phosphorescent Oxygen Sensing Studies","New J. Chem.","2017","41","12","4908","4917","10.1039/C7NJ01141E","","","0.71073","MoKα","","0.042","0.0251","","","0.0648","0.0725","","","","","","1.104","","","","has coordinates","301442","2025-08-04","07:17:36",""
"7056129","13.9647","0.0005","17.0557","0.0006","12.7566","0.0004","90","","110.58","0.001","90","","2844.44","0.17","293","2","293","2","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C48 H34 Cl2 F8 N4 O16 Pt -","- C48 H26 Cl2 F8 N4 O16 Pt -","- C96 H52 Cl4 F16 N8 O32 Pt2 -","2","0.25","","Arunkumar, Chellaiah; Kooriyaden, Fasalu Rahman; Zhang, Xiaochen; Subramaniam, Sujatha; Zhao, Jianzhang","Fluorinated meso-tetraaryl Pt(II)-porphyrins: Structure, Photophysical, Electrochemical and Phosphorescent Oxygen Sensing Studies","New J. Chem.","2017","41","12","4908","4917","10.1039/C7NJ01141E","","","0.71073","MoKα","","0.0359","0.0359","","","0.0969","0.0969","","","","","","1.169","","","","has coordinates,has disorder","301442","2025-08-04","07:17:36",""
"7056130","12.8728","0.0015","9.7876","0.0011","15.2958","0.0019","90","","112.529","0.004","90","","1780.1","0.4","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C43 H35 Cl3 O4 -","- C43 H35 Cl3 O4 -","- C86 H70 Cl6 O8 -","2","1","","Jhulki, Samik; Bajpai, Alankriti; Nagarajaiah, H.; Chow, Tahsin J.; Moorthy, J. Narasimha","Tri- and tetraarylanthracenes with novel λ, χ and ψ topologies as blue-emissive as well as fluorescent host materials in organic light-emitting diodes (OLEDs)","New J. Chem.","2017","41","11","4510","4517","10.1039/C7NJ00324B","","","0.71073","MoKα","","0.1687","0.0962","","","0.2254","0.2441","","","","","","1.303","","","","has coordinates","301851","2025-08-21","20:32:55",""
"7056131","15.7016","0.0007","9.8725","0.0005","25.8617","0.0012","90","","99.232","0.001","90","","3957","0.3","273","2","273","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C87 H68 Cl12 O8 -","- C87 H68 Cl12 O8 -","- C174 H136 Cl24 O16 -","2","1","","Jhulki, Samik; Bajpai, Alankriti; Nagarajaiah, H.; Chow, Tahsin J.; Moorthy, J. Narasimha","Tri- and tetraarylanthracenes with novel λ, χ and ψ topologies as blue-emissive as well as fluorescent host materials in organic light-emitting diodes (OLEDs)","New J. Chem.","2017","41","11","4510","4517","10.1039/C7NJ00324B","","","0.71073","MoKα","","0.1725","0.0921","","","0.2","0.2233","","","","","","1.125","","","","has coordinates,has disorder","301851","2025-08-21","20:32:55",""
"7056132","9.5927","0.0012","9.8024","0.0011","12.2341","0.0016","69.693","0.011","88.749","0.01","76.188","0.01","1045.3","0.2","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H46 Mo2 N6 O10 -","- C42 H46 Mo2 N6 O10 -","- C42 H46 Mo2 N6 O10 -","1","0.5","","Biswal, Debanjana; Pramanik, Nikhil Ranjan; Chakrabarti, Syamal; Drew, Michael G. B.; Sarkar, Bithika; Maurya, Mannar R.; Mukherjee, Sanjib K.; Chowdhury, Pramit","New polymeric, dimeric and mononuclear dioxidomolybdenum(vi) complexes with an ONO donor ligand: crystal structures, DFT calculations, catalytic performance and protein binding study of the ligand","New J. Chem.","2017","41","10","4116","4137","10.1039/C7NJ00136C","","","0.71073","MoKα","","0.1125","0.0895","","","0.1996","0.213","","","","","","1.119","","","","has coordinates,has disorder","301851","2025-08-21","20:32:55",""
"7056133","10.252","0.006","15.389","0.008","14.046","0.008","90","","100.56","0.009","90","","2178","2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H22 Mo N4 O4 -","- C23 H22 Mo N4 O4 -","- C92 H88 Mo4 N16 O16 -","4","1","","Biswal, Debanjana; Pramanik, Nikhil Ranjan; Chakrabarti, Syamal; Drew, Michael G. B.; Sarkar, Bithika; Maurya, Mannar R.; Mukherjee, Sanjib K.; Chowdhury, Pramit","New polymeric, dimeric and mononuclear dioxidomolybdenum(vi) complexes with an ONO donor ligand: crystal structures, DFT calculations, catalytic performance and protein binding study of the ligand","New J. Chem.","2017","41","10","4116","4137","10.1039/C7NJ00136C","","","0.71073","MoKα","","0.1172","0.054","","","0.0994","0.1235","","","","","","0.98","","","","has coordinates","301851","2025-08-21","20:32:55",""
"7056134","11.092","0.004","8.109","0.003","18.807","0.006","90","","105.213","0.016","90","","1632.3","1","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H15 Mo N3 O4 -","- C17 H15 Mo N3 O4 -","- C68 H60 Mo4 N12 O16 -","4","1","","Biswal, Debanjana; Pramanik, Nikhil Ranjan; Chakrabarti, Syamal; Drew, Michael G. B.; Sarkar, Bithika; Maurya, Mannar R.; Mukherjee, Sanjib K.; Chowdhury, Pramit","New polymeric, dimeric and mononuclear dioxidomolybdenum(vi) complexes with an ONO donor ligand: crystal structures, DFT calculations, catalytic performance and protein binding study of the ligand","New J. Chem.","2017","41","10","4116","4137","10.1039/C7NJ00136C","","","0.71073","MoKα","","0.0799","0.059","","","0.1767","0.2021","","","","","","1.087","","","","has coordinates","301442","2025-08-04","07:17:37",""
"7056135","13.8977","0.0007","7.1879","0.0003","20.6638","0.0007","90","","98.207","0.004","90","","2043.08","0.15","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H21 Mo N3 O5 S -","- C19 H21 Mo N3 O5 S -","- C76 H84 Mo4 N12 O20 S4 -","4","1","","Biswal, Debanjana; Pramanik, Nikhil Ranjan; Chakrabarti, Syamal; Drew, Michael G. B.; Sarkar, Bithika; Maurya, Mannar R.; Mukherjee, Sanjib K.; Chowdhury, Pramit","New polymeric, dimeric and mononuclear dioxidomolybdenum(vi) complexes with an ONO donor ligand: crystal structures, DFT calculations, catalytic performance and protein binding study of the ligand","New J. Chem.","2017","41","10","4116","4137","10.1039/C7NJ00136C","","","0.71073","MoKα","","0.0556","0.0415","","","0.0857","0.0919","","","","","","1.057","","","","has coordinates","301851","2025-08-21","20:32:55",""
"7056136","28.2944","0.001","7.8023","0.0003","21.3607","0.0007","90","","100.514","0.003","90","","4636.4","0.3","180","2","180","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H23 Mo N5 O4 -","- C23 H23 Mo N5 O4 -","- C184 H184 Mo8 N40 O32 -","8","2","","Biswal, Debanjana; Pramanik, Nikhil Ranjan; Chakrabarti, Syamal; Drew, Michael G. B.; Sarkar, Bithika; Maurya, Mannar R.; Mukherjee, Sanjib K.; Chowdhury, Pramit","New polymeric, dimeric and mononuclear dioxidomolybdenum(vi) complexes with an ONO donor ligand: crystal structures, DFT calculations, catalytic performance and protein binding study of the ligand","New J. Chem.","2017","41","10","4116","4137","10.1039/C7NJ00136C","","","0.71073","MoKα","","0.1174","0.0647","","","0.0913","0.1057","","","","","","0.993","","","","has coordinates,has disorder","301851","2025-08-21","20:32:55",""
"7056139","9.371","0.004","14.361","0.007","15.685","0.006","90","","101.28","0.03","90","","2070.1","1.6","180","2","180","","","","","","","","synthesis as described","5","C 1 2/c 1","-C 2yc","15","Ethylbiquinoxen","N,N'-diethyl-3,3'-biquinoxalinium bis(tetrafluoroborate)","","- C20 H20 B2 F8 N4 -","- C20 H20 B2 F8 N4 -","- C80 H80 B8 F32 N16 -","4","0.5","","Leblanc, Nicolas; Sproules, Stephen; Powell, Annie K.","An alternative method to access diverse N,N′-diquaternised-3,3′-biquinoxalinium “biquinoxen” dications","New J. Chem.","2017","41","8","2949","","10.1039/C7NJ00531H","","","0.71073","MoKα","","0.0486","0.0389","","","0.0981","0.1082","","","","","","1.071","","","","has coordinates","301851","2025-08-21","20:32:55",""
"7056140","5.6408","0.0008","10.3136","0.001","12.233","0.002","74.13","0.005","89.422","0.006","86.861","0.006","683.52","0.16","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H15 N O2 -","- C17 H15 N O2 -","- C34 H30 N2 O4 -","2","1","","Dawange, Monali; Parekh, Nikita; Kumbhar, Avinash; Dehaen, Wim; Kusurkar, Radhika","A synthetic route towards 3,4-disubstituted pyrrolidin-2-ones via a Michael addition and reductive ring closing strategy","New J. Chem.","2017","41","9","3612","","10.1039/C6NJ04051A","","","1.54178","CuKα","","0.0966","0.0806","","","0.24","0.2647","","","","","","1.021","","","","has coordinates","301851","2025-08-21","20:32:55",""
"7056141","5.2152","0.00007","9.8984","0.00014","23.0406","0.0003","90","","94.557","0.0005","90","","1185.65","0.03","250","2","250","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H15 N O3 -","- C13 H15 N O3 -","- C52 H60 N4 O12 -","4","1","","Dawange, Monali; Parekh, Nikita; Kumbhar, Avinash; Dehaen, Wim; Kusurkar, Radhika","A synthetic route towards 3,4-disubstituted pyrrolidin-2-ones via a Michael addition and reductive ring closing strategy","New J. Chem.","2017","41","9","3612","","10.1039/C6NJ04051A","","","0.71073","MoKα","","0.0501","0.0449","","","0.1212","0.1264","","","","","","1.043","","","","has coordinates,has disorder","301851","2025-08-21","20:32:55",""
"7056142","6.42","0.0005","8.6707","0.0007","12.9072","0.001","85.11","0.007","88.215","0.006","83.692","0.006","711.37","0.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","CuTECP","5,10,15,20-tetra-(ethoxylcarbonyl)porphyrin copper(II)","","- C32 H28 Cu N4 O8 -","- C32 H28 Cu N4 O8 -","- C32 H28 Cu N4 O8 -","1","0.5","","Wang, Hua-Hua; Wen, Wei-Hong; Zou, Huai-Bo; Cheng, Fan; Ali, Atif; Shi, Lei; Liu, Hai-Yang; Chang, Chi-Kwong","Copper porphyrin catalyzed esterification of C(sp3)‒H via a cross-dehydrogenative coupling reaction","New J. Chem.","2017","41","9","3508","","10.1039/C6NJ03876J","","","1.54184","CuKα","","0.043","0.038","","","0.0957","0.1016","","","","","","1.041","","","","has coordinates","196248","2020-10-21","18:00:00",""
"7056143","10.5522","0.0012","11.3163","0.0018","13.8002","0.0013","90","","104.277","0.004","90","","1597","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H18 I N3 O Pd -","- C15 H18 I N3 O Pd -","- C60 H72 I4 N12 O4 Pd4 -","4","1","","Pandiri, Hanumanprasad; Soni, Vineeta; Gonnade, Rajesh G.; Punji, Benudhar","Development of (quinolinyl)amido-based pincer palladium complexes: a robust and phosphine-free catalyst system for C‒H arylation of benzothiazoles","New J. Chem.","2017","41","9","3543","","10.1039/C7NJ00452D","","","0.71073","MoKα","","0.0253","0.0195","","","0.0379","0.0392","","","","","","1.19","","","","has coordinates","196249","2020-10-21","18:00:00",""
"7056144","10.8321","0.0004","23.7645","0.0008","6.9558","0.0002","90","","103.107","0.002","90","","1743.91","0.1","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H23 N3 O4 Pd -","- C17 H23 N3 O4 Pd -","- C68 H92 N12 O16 Pd4 -","4","1","","Pandiri, Hanumanprasad; Soni, Vineeta; Gonnade, Rajesh G.; Punji, Benudhar","Development of (quinolinyl)amido-based pincer palladium complexes: a robust and phosphine-free catalyst system for C‒H arylation of benzothiazoles","New J. Chem.","2017","41","9","3543","","10.1039/C7NJ00452D","","","0.71073","MoKα","","0.0742","0.0621","","","0.1062","0.1099","","","","","","1.3","","","","has coordinates","196249","2020-10-21","18:00:00",""
"7056145","14.7945","0.0006","13.148","0.0005","16.0956","0.0007","90","","102.202","0.002","90","","3060.2","0.2","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C15 H18 Cl N3 O Pd -","- C15 H18 Cl N3 O Pd -","- C120 H144 Cl8 N24 O8 Pd8 -","8","1","","Pandiri, Hanumanprasad; Soni, Vineeta; Gonnade, Rajesh G.; Punji, Benudhar","Development of (quinolinyl)amido-based pincer palladium complexes: a robust and phosphine-free catalyst system for C‒H arylation of benzothiazoles","New J. Chem.","2017","41","9","3543","","10.1039/C7NJ00452D","","","0.71073","MoKα","","0.0187","0.0181","","","0.042","0.0423","","","","","","1.101","","","","has coordinates","196249","2020-10-21","18:00:00",""
"7056146","9.6605","0.0006","22.2522","0.0014","11.3772","0.0007","90","","106.976","0.002","90","","2339.2","0.3","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H15 N O8 Zn2 -","- C24 H15 N O8 Zn2 -","- C96 H60 N4 O32 Zn8 -","4","1","","Lu, Lu; Wang, Jun; Xie, Bin; Liu, Jian-Qiang; Yadav, Reena; Singh, Amita; Kumar, Abhinav","Fluorescence sensing of nitro-aromatics by Zn(ii) and Cd(ii) based coordination polymers having the 5-[bis(4-carboxybenzyl)-amino]isophthalic acid ligand","New J. Chem.","2017","41","9","3537","","10.1039/C7NJ00183E","","","0.71073","MoKα","","0.0374","0.03","","","0.0791","0.0823","","","","","","1.084","","","","has coordinates","196250","2020-10-21","18:00:00",""
"7056147","25.448","0.015","15.151","0.008","11.157","0.007","90","","108.613","0.01","90","","4077","4","150","2","150","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C48 H35 N5 O10 Zn2 -","- C48 H35 N5 O10 Zn2 -","- C192 H140 N20 O40 Zn8 -","4","1","","Lu, Lu; Wang, Jun; Xie, Bin; Liu, Jian-Qiang; Yadav, Reena; Singh, Amita; Kumar, Abhinav","Fluorescence sensing of nitro-aromatics by Zn(ii) and Cd(ii) based coordination polymers having the 5-[bis(4-carboxybenzyl)-amino]isophthalic acid ligand","New J. Chem.","2017","41","9","3537","","10.1039/C7NJ00183E","","","0.71073","MoKα","","0.0668","0.0455","","","0.096","0.1235","","","","","","1.013","","","","has coordinates","196250","2020-10-21","18:00:00",""
"7056148","14.915","0.0009","15.7739","0.0009","16.032","0.0009","100.659","0.0007","112.209","0.0006","107.228","0.0007","3141.7","0.3","100","2","100.15","","","","","","","","","6","P -1","-P 1","2","","","","- C48 H32 Cd3 N2 Na2 O26 -","- C48 H32 Cd3 N2 Na2 O26 -","- C96 H64 Cd6 N4 Na4 O52 -","2","1","","Lu, Lu; Wang, Jun; Xie, Bin; Liu, Jian-Qiang; Yadav, Reena; Singh, Amita; Kumar, Abhinav","Fluorescence sensing of nitro-aromatics by Zn(ii) and Cd(ii) based coordination polymers having the 5-[bis(4-carboxybenzyl)-amino]isophthalic acid ligand","New J. Chem.","2017","41","9","3537","","10.1039/C7NJ00183E","","","0.71073","MoKα","","0.0721","0.0587","","","0.1633","0.1778","","","","","","1.026","","","","has coordinates,has disorder","196250","2020-10-21","18:00:00",""
"7056149","7.3373","0.0003","10.1984","0.0005","12.8665","0.0007","94.353","0.003","105.694","0.003","101.173","0.003","900.89","0.08","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H17 I N4 Pt -","- C15 H17 I N4 Pt -","- C30 H34 I2 N8 Pt2 -","2","1","","Ghosh, Biswa Nath; Schlecht, Sabine; Bauzá, Antonio; Frontera, Antonio","Mononuclear and dinuclear trimethylplatinum(iv) iodide complexes of 3-substituted pyridines","New J. Chem.","2017","41","9","3498","","10.1039/C7NJ00337D","","","0.71073","MoKα","","0.0348","0.0295","","","0.0665","0.0692","","","","","","1.066","","","","has coordinates","196251","2020-10-21","18:00:00",""
"7056150","13.06443","0.00014","10.05977","0.00012","13.11539","0.00014","90","","92.2805","0.001","90","","1722.33","0.03","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H17 I N4 Pt -","- C15 H17 I N4 Pt -","- C60 H68 I4 N16 Pt4 -","4","1","","Ghosh, Biswa Nath; Schlecht, Sabine; Bauzá, Antonio; Frontera, Antonio","Mononuclear and dinuclear trimethylplatinum(iv) iodide complexes of 3-substituted pyridines","New J. Chem.","2017","41","9","3498","","10.1039/C7NJ00337D","","","0.71073","MoKα","","0.0244","0.0227","","","0.0571","0.0581","","","","","","1.07","","","","has coordinates","196251","2020-10-21","18:00:00",""
"7056151","7.74628","0.00016","30.9134","0.0008","9.8163","0.0002","90","","93.4459","0.0018","90","","2346.4","0.09","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H26 I2 N4 Pt2 -","- C18 H26 I2 N4 Pt2 -","- C72 H104 I8 N16 Pt8 -","4","1","","Ghosh, Biswa Nath; Schlecht, Sabine; Bauzá, Antonio; Frontera, Antonio","Mononuclear and dinuclear trimethylplatinum(iv) iodide complexes of 3-substituted pyridines","New J. Chem.","2017","41","9","3498","","10.1039/C7NJ00337D","","","0.71073","MoKα","","0.0374","0.0346","","","0.0806","0.0826","","","","","","1.131","","","","has coordinates","196251","2020-10-21","18:00:00",""
"7056152","14.7578","0.0015","7.6872","0.0009","17.2104","0.0018","90","","113.803","0.011","90","","1786.4","0.4","193","2","193","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C15 H23 I N2 O2 Pt -","- C15 H23 I N2 O2 Pt -","- C60 H92 I4 N8 O8 Pt4 -","4","1","","Ghosh, Biswa Nath; Schlecht, Sabine; Bauzá, Antonio; Frontera, Antonio","Mononuclear and dinuclear trimethylplatinum(iv) iodide complexes of 3-substituted pyridines","New J. Chem.","2017","41","9","3498","","10.1039/C7NJ00337D","","","0.71073","MoKα","","0.029","0.0245","","","0.0638","0.065","","","","","","1.012","","","","has coordinates","196251","2020-10-21","18:00:00",""
"7056153","8.24465","0.00015","13.0479","0.0002","11.24762","0.00019","90","","95.0865","0.0019","90","","1205.2","0.04","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H26 Br2 I2 N2 Pt2 -","- C16 H26 Br2 I2 N2 Pt2 -","- C32 H52 Br4 I4 N4 Pt4 -","2","0.5","","Ghosh, Biswa Nath; Schlecht, Sabine; Bauzá, Antonio; Frontera, Antonio","Mononuclear and dinuclear trimethylplatinum(iv) iodide complexes of 3-substituted pyridines","New J. Chem.","2017","41","9","3498","","10.1039/C7NJ00337D","","","0.71073","MoKα","","0.0203","0.019","","","0.0443","0.045","","","","","","1.044","","","","has coordinates","196251","2020-10-21","18:00:00",""
"7056154","10.5118","0.0005","13.8528","0.0008","19.5175","0.0006","98.402","0.004","90.407","0.003","90.95","0.004","2811.1","0.2","130","1","130","1","","","","","","","","4","P -1","-P 1","2","","","","- C50 H46 O14 Si10 -","- C50 H46 O14 Si10 -","- C100 H92 O28 Si20 -","2","1","","Walczak, M.; Januszewski, R.; Majchrzak, M.; Kubicki, M.; Dudziec, B.; Marciniec, B.","Unusual cis and trans architecture of dihydrofunctional double-decker shaped silsesquioxane and synthesis of its ethyl bridged π-conjugated arene derivatives","New J. Chem.","2017","41","9","3290","","10.1039/C7NJ00255F","","","0.7107","MoKα","","0.0725","0.0472","","","0.125","0.1361","","","","","","1.064","","","","has coordinates,has disorder","196252","2020-10-21","18:00:00",""
"7056155","8.2968","0.0003","11.2161","0.0005","27.6291","0.001","90","","97.453","0.003","90","","2549.38","0.17","130","2","130","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2,3-dicyano-5,6-bis-4-(benzyloxy)phenyl pyrazine","","- C32 H22 N4 O2 -","- C32 H22 N4 O2 -","- C128 H88 N16 O8 -","4","1","","Tillo, Adam; Mlynarczyk, Dariusz T.; Popenda, Lukasz; Wicher, Barbara; Kryjewski, Michal; Szczolko, Wojciech; Jurga, Stefan; Mielcarek, Jadwiga; Gdaniec, Maria; Goslinski, Tomasz; Tykarska, Ewa","Synthesis and singlet oxygen generation of pyrazinoporphyrazines containing dendrimeric aryl substituents","New J. Chem.","2017","41","9","3586","","10.1039/C6NJ03886G","","","0.71073","MoKα","","0.0741","0.0461","","","0.0859","0.0973","","","","","","1.042","","","","has coordinates","301851","2025-08-21","20:32:55",""
"7056156","23.8249","0.0007","15.5643","0.0004","16.2565","0.0004","90","","117.473","0.003","90","","5348.4","0.3","130","2","130","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","2,3-Dicyano-5,6-bis-4-[3,5-bis(benzyloxy)benzyloxy]phenyl pyrazine","","- C62 H50 Cl4 N4 O6 -","- C62 H50 Cl4 N4 O6 -","- C248 H200 Cl16 N16 O24 -","4","0.5","","Tillo, Adam; Mlynarczyk, Dariusz T.; Popenda, Lukasz; Wicher, Barbara; Kryjewski, Michal; Szczolko, Wojciech; Jurga, Stefan; Mielcarek, Jadwiga; Gdaniec, Maria; Goslinski, Tomasz; Tykarska, Ewa","Synthesis and singlet oxygen generation of pyrazinoporphyrazines containing dendrimeric aryl substituents","New J. Chem.","2017","41","9","3586","","10.1039/C6NJ03886G","","","1.54184","CuKα","","0.0888","0.0804","","","0.2337","0.2487","","","","","","1.053","","","","has coordinates","301851","2025-08-21","20:32:55",""
"7056157","8.8042","0.0005","9.8572","0.0006","13.1313","0.0008","106.022","0.005","103.017","0.005","102.921","0.005","1016.28","0.12","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H23 F6 Na O7 -","- C15 H23 F6.006 Na O7 -","- C30 H46 F12.012 Na2 O14 -","2","1","","Catalano, Maria R.; Pellegrino, Anna Lucia; Rossi, Patrizia; Paoli, Paola; Cortelletti, Paolo; Pedroni, Marco; Speghini, Adolfo; Malandrino, Graziella","Upconverting Er3+, Yb3+ activated β-NaYF4 thin films: a solution route using a novel sodium β-diketonate polyether adduct","New J. Chem.","2017","41","12","4771","4775","10.1039/C7NJ00236J","","","1.54184","CuKα","","0.0558","0.0379","","","0.0927","0.1041","","","","","","1.029","","","","has coordinates,has disorder","301442","2025-08-04","07:17:37",""
"7056158","8.449","0.003","13.113","0.004","9.937","0.003","90","","102.064","0.003","90","","1076.6","0.6","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C4 H10 Cl4 Mo N O -","- C4 H10 Cl4 Mo N O -","- C16 H40 Cl16 Mo4 N4 O4 -","4","1","","Bartalucci, Niccolò; Bortoluzzi, Marco; Marchetti, Fabio; Pampaloni, Guido; Schoch, Silvia; Zacchini, Stefano","Unusual activation pathways of amines in the reactions with molybdenum pentachloride","New J. Chem.","2017","41","11","4329","4340","10.1039/C6NJ03992H","","","0.71073","MoKα","","0.0343","0.0278","","","0.0648","0.0682","","","","","","1.041","","","","has coordinates","301442","2025-08-04","07:17:38",""
"7056159","11.8263","0.0017","8.2825","0.0012","10.2388","0.0015","90","","90","","90","","1002.9","0.3","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C4 H7 Cl5 Mo N -","- C4 H7 Cl5 Mo N -","- C16 H28 Cl20 Mo4 N4 -","4","1","","Bartalucci, Niccolò; Bortoluzzi, Marco; Marchetti, Fabio; Pampaloni, Guido; Schoch, Silvia; Zacchini, Stefano","Unusual activation pathways of amines in the reactions with molybdenum pentachloride","New J. Chem.","2017","41","11","4329","4340","10.1039/C6NJ03992H","","","0.71073","MoKα","","0.0248","0.0227","","","0.0392","0.0398","","","","","","1.083","","","","has coordinates","301442","2025-08-04","07:17:38",""
"7056160","13.8611","0.0007","13.6266","0.0007","14.124","0.0006","90","","90","","90","","2667.7","0.2","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C12 H32 Cl9.6 Mo2 N2 O0.4 -","- C12 H32 Cl9.6 Mo2 N2 O0.4 -","- C48 H128 Cl38.4 Mo8 N8 O1.6 -","4","0.5","","Bartalucci, Niccolò; Bortoluzzi, Marco; Marchetti, Fabio; Pampaloni, Guido; Schoch, Silvia; Zacchini, Stefano","Unusual activation pathways of amines in the reactions with molybdenum pentachloride","New J. Chem.","2017","41","11","4329","4340","10.1039/C6NJ03992H","","","0.71073","MoKα","","0.0813","0.0803","","","0.1909","0.1913","","","","","","1.212","","","","has coordinates,has disorder","301442","2025-08-04","07:17:38",""
"7056161","10.0833","0.0009","13.2029","0.001","16.6033","0.0012","90","","103.818","0.006","90","","2146.4","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C43 H42 Cl8 Mo N2 -","- C43 H42 Cl8 Mo N2 -","- C86 H84 Cl16 Mo2 N4 -","2","0.5","","Bartalucci, Niccolò; Bortoluzzi, Marco; Marchetti, Fabio; Pampaloni, Guido; Schoch, Silvia; Zacchini, Stefano","Unusual activation pathways of amines in the reactions with molybdenum pentachloride","New J. Chem.","2017","41","11","4329","4340","10.1039/C6NJ03992H","","","0.71073","MoKα","","0.1822","0.0627","","","0.1378","0.1941","","","","","","0.97","","","","has coordinates,has disorder","301442","2025-08-04","07:17:38",""
"7056162","6.6315","0.0017","7.648","0.002","11.839","0.003","106.915","0.002","96.903","0.003","102.798","0.003","549.1","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H22 Cl8 Mo2 N2 -","- C12 H22 Cl8 Mo2 N2 -","- C12 H22 Cl8 Mo2 N2 -","1","0.5","","Bartalucci, Niccolò; Bortoluzzi, Marco; Marchetti, Fabio; Pampaloni, Guido; Schoch, Silvia; Zacchini, Stefano","Unusual activation pathways of amines in the reactions with molybdenum pentachloride","New J. Chem.","2017","41","11","4329","4340","10.1039/C6NJ03992H","","","0.71073","MoKα","","0.0376","0.0317","","","0.0728","0.076","","","","","","1.093","","","","has coordinates","301442","2025-08-04","07:17:38",""
"7056163","7.9913","0.0005","27.2271","0.0015","13.7004","0.0008","90","","90.321","0.004","90","","2980.9","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H39 Cl8 Mo2 N6 -","- C14 H39 Cl8 Mo2 N6 -","- C56 H156 Cl32 Mo8 N24 -","4","1","","Bartalucci, Niccolò; Bortoluzzi, Marco; Marchetti, Fabio; Pampaloni, Guido; Schoch, Silvia; Zacchini, Stefano","Unusual activation pathways of amines in the reactions with molybdenum pentachloride","New J. Chem.","2017","41","11","4329","4340","10.1039/C6NJ03992H","","","0.71073","MoKα","","0.0534","0.0461","","","0.1042","0.1092","","","","","","1.063","","","","has coordinates","301442","2025-08-04","07:17:38",""
"7056164","12.633","0.003","9.977","0.002","12.085","0.002","90","","112.39","0.03","90","","1408.4","0.6","120","2","120","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C17 H11 N7 -","- C17 H11 N7 -","- C68 H44 N28 -","4","0.5","","Cabrero-Antonino, Maria; Ballesteros-Garrido, Rafael; Chiassai, Leonardo; Escrivá, Emilio; Ramirez de Arellano, Carmen; Ballesteros, Rafael; Abarca, Belén","Synthesis of New Terpyridine-like ligands based on Triazolopyridines and Benzotriazoles","New J. Chem.","2017","41","12","4918","4922","10.1039/C7NJ00962C","","","0.71073","MoKα","","0.0648","0.0398","","","0.102","0.1116","","","","","","1.058","","","","has coordinates","301851","2025-08-21","20:32:55",""
"7056165","13.4031","0.0003","25.5461","0.0005","13.0244","0.0003","90","","91.208","0.002","90","","4458.52","0.17","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H31 F12 N17 P2 Ru -","- C40 H31 F12 N17 P2 Ru -","- C160 H124 F48 N68 P8 Ru4 -","4","1","","Cabrero-Antonino, Maria; Ballesteros-Garrido, Rafael; Chiassai, Leonardo; Escrivá, Emilio; Ramirez de Arellano, Carmen; Ballesteros, Rafael; Abarca, Belén","Synthesis of New Terpyridine-like ligands based on Triazolopyridines and Benzotriazoles","New J. Chem.","2017","41","12","4918","4922","10.1039/C7NJ00962C","","","0.71073","MoKα","","0.0955","0.056","","","0.1296","0.1541","","","","","","1.074","","","","has coordinates","301851","2025-08-21","20:32:55",""
"7056166","11.5077","0.001","12.262","0.0007","15.7286","0.0011","90","","109.805","0.009","90","","2088.1","0.3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","2,2,6,6,13-pentamethyl-3-methylene-2,2a,2a1,3,4,5,5a,6-octahydroindolo[3,2,1-de]pyrano[5,4,3,2-lmn]-phenanthridine","","- C26 H29 N O -","- C26 H29 N O -","- C104 H116 N4 O4 -","4","2","","Yedukondalu, Nalli; Thakur, Vandana; Mohmmed, Asif; Gupta, Vivek; Ali, Asif","POCl3-mediated Cyclization of (+)-S-Mahanimbine Led to the Divergent Synthesis of Natural Product Derivatives with Antiplasmodial Activity.","New J. Chem.","2017","41","12","4923","4930","10.1039/C7NJ00487G","","","0.71073","MoKα","","0.082","0.0463","","","0.0787","0.0911","","","","","","1.031","","","","has coordinates","301851","2025-08-21","20:32:55",""
"7056167","8.4284","0.0006","18.5039","0.0014","23.3119","0.0016","90","","93.851","0.005","90","","3627.5","0.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","MK-POCL3-R","5,7-dimethyl-2-(propan-2-ylidene)-1,2,3,4,5,13-hexahydro-1,5- methanooxocino[3,2-a]carbazole","","- C23 H25 N O -","- C23 H25 N O -","- C184 H200 N8 O8 -","8","2","","Yedukondalu, Nalli; Thakur, Vandana; Mohmmed, Asif; Gupta, Vivek; Ali, Asif","POCl3-mediated Cyclization of (+)-S-Mahanimbine Led to the Divergent Synthesis of Natural Product Derivatives with Antiplasmodial Activity.","New J. Chem.","2017","41","12","4923","4930","10.1039/C7NJ00487G","","","0.71073","MoKα","","0.176","0.0791","","","0.1726","0.2269","","","","","","0.989","","","","has coordinates","301442","2025-08-04","07:17:39",""
"7056168","13.1508","0.001","13.2882","0.0009","16.3883","0.0009","90","","104.519","0.007","90","","2772.4","0.3","293.6","0.4","293.6","0.4","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H25 N4 O14 Sm Zn -","- C22 H25 N4 O14 Sm Zn -","- C88 H100 N16 O56 Sm4 Zn4 -","4","1","","Zheng, Shan shan; Dong, WK; Zhang, Yang; Chen, Le; Ding, Yujie","Four Salamo-type 3d-4f hetero-bimetallic [ZnIILnIII] complexes: Syntheses, Crystal Structures, Luminescent and Magnetic Properties","New J. Chem.","2017","41","12","4966","4973","10.1039/C6NJ04090J","","","0.7107","MoKα","","0.1443","0.0724","","","0.0931","0.1335","","","","","","0.967","","","","has coordinates,has disorder","301851","2025-08-21","20:32:55",""
"7056169","13.1508","0.0007","13.2769","0.0005","16.3725","0.0009","90","","104.442","0.006","90","","2768.3","0.2","298.84","0.1","298.84","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H25 Eu N4 O14 Zn -","- C22 H25 Eu N4 O14 Zn -","- C88 H100 Eu4 N16 O56 Zn4 -","4","1","","Zheng, Shan shan; Dong, WK; Zhang, Yang; Chen, Le; Ding, Yujie","Four Salamo-type 3d-4f hetero-bimetallic [ZnIILnIII] complexes: Syntheses, Crystal Structures, Luminescent and Magnetic Properties","New J. Chem.","2017","41","12","4966","4973","10.1039/C6NJ04090J","","x-ray","0.71073","MoKα","","0.0931","0.049","","","0.0639","0.0842","","","","","","1.014","","","","has coordinates,has disorder","301851","2025-08-21","20:32:55",""
"7056170","13.095","0.0005","13.2699","0.0004","16.3621","0.0006","90","","104.27","0.004","90","","2755.5","0.17","298.84","0.1","298.84","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H25 Dy N4 O14 Zn -","- C22 H25 Dy N4 O14 Zn -","- C88 H100 Dy4 N16 O56 Zn4 -","4","1","","Zheng, Shan shan; Dong, WK; Zhang, Yang; Chen, Le; Ding, Yujie","Four Salamo-type 3d-4f hetero-bimetallic [ZnIILnIII] complexes: Syntheses, Crystal Structures, Luminescent and Magnetic Properties","New J. Chem.","2017","41","12","4966","4973","10.1039/C6NJ04090J","","x-ray","0.71073","MoKα","","0.0489","0.0337","","","0.0563","0.0642","","","","","","1.042","","","","has coordinates,has disorder","301442","2025-08-04","07:17:39",""
"7056171","13.113","0.0006","13.2655","0.0005","16.3649","0.0007","90","","104.34","0.005","90","","2758","0.2","298.84","0.1","298.84","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H25 N4 O14 Tb Zn -","- C22 H25 N4 O14 Tb Zn -","- C88 H100 N16 O56 Tb4 Zn4 -","4","1","","Zheng, Shan shan; Dong, WK; Zhang, Yang; Chen, Le; Ding, Yujie","Four Salamo-type 3d-4f hetero-bimetallic [ZnIILnIII] complexes: Syntheses, Crystal Structures, Luminescent and Magnetic Properties","New J. Chem.","2017","41","12","4966","4973","10.1039/C6NJ04090J","","x-ray","0.71073","MoKα","","0.0615","0.0386","","","0.061","0.0723","","","","","","1.046","","","","has coordinates,has disorder","301442","2025-08-04","07:17:39",""
"7056172","8.153","0.0005","11.1982","0.001","14.3416","0.0008","78.653","0.006","84.574","0.005","83.732","0.006","1272.51","0.16","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H27 Cl2 Ir N4 -","- C21 H27 Cl2 Ir N4 -","- C42 H54 Cl4 Ir2 N8 -","2","1","","Kerner, Christian; Neu, Jens P.; Gaffga, Maximilian; Lang, Johannes; Oelkers, Benjamin; Sun, Yu; Niedner-Schatterburg, Gereon; Thiel, Werner R.","Gas-phase reactivity of Cp* Group IX metal complexes bearing aromatic N,N’-chelating ligands","New J. Chem.","2017","41","15","6995","7006","10.1039/C7NJ01079F","","","1.54184","CuKα","","0.0574","0.056","","","0.1504","0.1516","","","","","","1.106","","","","has coordinates","301442","2025-08-04","07:17:39",""
"7056173","8.2836","0.0005","11.4551","0.0009","12.2705","0.0007","103.762","0.006","93.088","0.005","104.169","0.006","1088.71","0.13","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C19 H23 Cl Co F6 N4 P -","- C19 H23 Cl Co F6 N4 P -","- C38 H46 Cl2 Co2 F12 N8 P2 -","2","1","","Kerner, Christian; Neu, Jens P.; Gaffga, Maximilian; Lang, Johannes; Oelkers, Benjamin; Sun, Yu; Niedner-Schatterburg, Gereon; Thiel, Werner R.","Gas-phase reactivity of Cp* Group IX metal complexes bearing aromatic N,N’-chelating ligands","New J. Chem.","2017","41","15","6995","7006","10.1039/C7NJ01079F","","","1.54184","CuKα","","0.0464","0.0405","","","0.0984","0.1018","","","","","","1.028","","","","has coordinates","301442","2025-08-04","07:17:39",""
"7056174","8.3924","0.0004","11.5244","0.0005","13.1783","0.0006","109.543","0.004","92.325","0.004","108.365","0.004","1124.68","0.1","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C20 H25 Cl Co F6 N4 P -","- C20 H25 Cl Co F6 N4 P -","- C40 H50 Cl2 Co2 F12 N8 P2 -","2","1","","Kerner, Christian; Neu, Jens P.; Gaffga, Maximilian; Lang, Johannes; Oelkers, Benjamin; Sun, Yu; Niedner-Schatterburg, Gereon; Thiel, Werner R.","Gas-phase reactivity of Cp* Group IX metal complexes bearing aromatic N,N’-chelating ligands","New J. Chem.","2017","41","15","6995","7006","10.1039/C7NJ01079F","","","0.71073","MoKα","","0.0405","0.0339","","","0.0764","0.0794","","","","","","1.05","","","","has coordinates","301442","2025-08-04","07:17:39",""
"7056175","12.9323","0.0003","8.1971","0.0002","10.4445","0.0003","90","","90","","90","","1107.19","0.05","150","2","150","2","","","","","","","","7","P m n 21","P 2ac -2","31","","","","- C20 H23 Cl F6 N2 P Rh -","- C20 H23 Cl F6 N2 P Rh -","- C40 H46 Cl2 F12 N4 P2 Rh2 -","2","0.5","","Kerner, Christian; Neu, Jens P.; Gaffga, Maximilian; Lang, Johannes; Oelkers, Benjamin; Sun, Yu; Niedner-Schatterburg, Gereon; Thiel, Werner R.","Gas-phase reactivity of Cp* Group IX metal complexes bearing aromatic N,N’-chelating ligands","New J. Chem.","2017","41","15","6995","7006","10.1039/C7NJ01079F","","","1.54184","CuKα","","0.0257","0.0254","","","0.0637","0.0646","","","","","","1.075","","","","has coordinates","301442","2025-08-04","07:17:39",""
"7056176","8.2257","0.0003","11.4475","0.0004","12.6623","0.0004","102","0.003","93.609","0.003","105.079","0.003","1117.44","0.07","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C19 H23 Cl F6 N4 P Rh -","- C19 H23 Cl F6 N4 P Rh -","- C38 H46 Cl2 F12 N8 P2 Rh2 -","2","1","","Kerner, Christian; Neu, Jens P.; Gaffga, Maximilian; Lang, Johannes; Oelkers, Benjamin; Sun, Yu; Niedner-Schatterburg, Gereon; Thiel, Werner R.","Gas-phase reactivity of Cp* Group IX metal complexes bearing aromatic N,N’-chelating ligands","New J. Chem.","2017","41","15","6995","7006","10.1039/C7NJ01079F","","","0.71073","MoKα","","0.0363","0.0318","","","0.076","0.0784","","","","","","1.041","","","","has coordinates","301442","2025-08-04","07:17:39",""
"7056177","8.8142","0.0001","15.6347","0.0002","15.1228","0.0002","90","","90.195","0.001","90","","2084.02","0.05","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C19 H23 B Cl F4 Ir N4 -","- C19 H23 B Cl F4 Ir N4 -","- C76 H92 B4 Cl4 F16 Ir4 N16 -","4","1","","Kerner, Christian; Neu, Jens P.; Gaffga, Maximilian; Lang, Johannes; Oelkers, Benjamin; Sun, Yu; Niedner-Schatterburg, Gereon; Thiel, Werner R.","Gas-phase reactivity of Cp* Group IX metal complexes bearing aromatic N,N’-chelating ligands","New J. Chem.","2017","41","15","6995","7006","10.1039/C7NJ01079F","","","0.71073","MoKα","","0.0267","0.0229","","","0.0453","0.0466","","","","","","1.124","","","","has coordinates","301442","2025-08-04","07:17:39",""
"7056178","8.5377","0.0002","21.2436","0.0004","11.3841","0.0002","90","","94.301","0.002","90","","2058.94","0.07","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C19 H22 B Cl F4 Ir N3 -","- C19 H22 B Cl F4 Ir N3 -","- C76 H88 B4 Cl4 F16 Ir4 N12 -","4","1","","Kerner, Christian; Neu, Jens P.; Gaffga, Maximilian; Lang, Johannes; Oelkers, Benjamin; Sun, Yu; Niedner-Schatterburg, Gereon; Thiel, Werner R.","Gas-phase reactivity of Cp* Group IX metal complexes bearing aromatic N,N’-chelating ligands","New J. Chem.","2017","41","15","6995","7006","10.1039/C7NJ01079F","","","0.71073","MoKα","","0.0422","0.0331","","","0.0664","0.0692","","","","","","1.139","","","","has coordinates","301442","2025-08-04","07:17:39",""
"7056179","13.252","0.003","16.668","0.002","10.2556","0.0018","90","","103.378","0.014","90","","2203.8","0.7","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C31 H23 P -","- C31 H23 P -","- C124 H92 P4 -","4","1","","Hariharan, P. S.; Mariyatra, M. Baby; Mothi, E. M.; Neels, Antonia; Rosair, Georgina; Anthony, Savarimuthu Philip","Polymorphism and benzene solvent controlled stimuli responsive reversible fluorescence switching in triphenylphosphoniumfluorenylide crystals","New J. Chem.","2017","41","11","4592","4598","10.1039/C7NJ01136A","","","0.71073","MoKα","","0.0533","0.0454","","","0.1205","0.1284","","","","","","1.081","","","","has coordinates","301851","2025-08-21","20:32:55",""
"7056180","27.996","0.002","11.8779","0.0009","17.3544","0.0013","90","","113.26","0.003","90","","5301.9","0.7","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C37 H29 P -","- C37 H29 P -","- C296 H232 P8 -","8","1","","Hariharan, P. S.; Mariyatra, M. Baby; Mothi, E. M.; Neels, Antonia; Rosair, Georgina; Anthony, Savarimuthu Philip","Polymorphism and benzene solvent controlled stimuli responsive reversible fluorescence switching in triphenylphosphoniumfluorenylide crystals","New J. Chem.","2017","41","11","4592","4598","10.1039/C7NJ01136A","","","0.71073","MoKα","","0.0598","0.038","","","0.0985","0.1189","","","","","","1.106","","","","has coordinates","301851","2025-08-21","20:32:55",""
"7056181","9.474","0.004","10.294","0.004","13.926","0.005","98.394","0.003","105.105","0.003","115.34","0.004","1132.3","0.8","113","2","113","2","","","","","","","","5","P -1","-P 1","2","","","","- C11 H40 N3 O12 P3 -","- C11 H40 N3 O12 P3 -","- C22 H80 N6 O24 P6 -","2","1","","Sun, Yu-Ling; Zheng, Bei-Bei; Zhang, Wen","Role of crystallization water molecules on hydrogen-bonded structures and dielectric phase transitions in amino trimethylene phosphonic acid-based crystals","New J. Chem.","2017","41","12","5142","5150","10.1039/C7NJ00612H","","","0.71073","MoKα","","0.0438","0.0356","","","0.1008","0.1148","","","","","","1.089","","","","has coordinates","301851","2025-08-21","20:32:55",""
"7056182","14.728","0.0017","14.728","0.0017","23.716","0.005","90","","90","","120","","4455.1","1.2","293","2","293","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C30 H92 N8 O19 P6 -","- C30 H92.0004 N8 O19 P6 -","- C90 H276.001 N24 O57 P18 -","3","0.166667","","Sun, Yu-Ling; Zheng, Bei-Bei; Zhang, Wen","Role of crystallization water molecules on hydrogen-bonded structures and dielectric phase transitions in amino trimethylene phosphonic acid-based crystals","New J. Chem.","2017","41","12","5142","5150","10.1039/C7NJ00612H","","","0.71073","MoKα","","0.1047","0.0775","","","0.2244","0.2479","","","","","","1.057","","","","has coordinates","301442","2025-08-04","07:17:41",""
"7056183","9.528","0.003","10.348","0.004","14.003","0.005","98.391","0.004","105.168","0.002","115.423","0.002","1149.5","0.7","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","","","- C11 H40 N3 O12 P3 -","- C11 H40 N3 O12 P3 -","- C22 H80 N6 O24 P6 -","2","1","","Sun, Yu-Ling; Zheng, Bei-Bei; Zhang, Wen","Role of crystallization water molecules on hydrogen-bonded structures and dielectric phase transitions in amino trimethylene phosphonic acid-based crystals","New J. Chem.","2017","41","12","5142","5150","10.1039/C7NJ00612H","","","0.71073","MoKα","","0.052","0.0414","","","0.125","0.1464","","","","","","1.094","","","","has coordinates","301851","2025-08-21","20:32:55",""
"7056184","11.42","0.007","11.647","0.007","11.79","0.007","104.083","0.008","99.682","0.005","103.12","0.008","1439.3","1.5","103","2","103","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H94 N8 O20 P6 -","- C30 H96 N8 O21 P6 -","- C30 H96 N8 O21 P6 -","1","0.5","","Sun, Yu-Ling; Zheng, Bei-Bei; Zhang, Wen","Role of crystallization water molecules on hydrogen-bonded structures and dielectric phase transitions in amino trimethylene phosphonic acid-based crystals","New J. Chem.","2017","41","12","5142","5150","10.1039/C7NJ00612H","","","0.71073","MoKα","","0.045","0.0388","","","0.1062","0.1117","","","","","","1.068","","","","has coordinates","301442","2025-08-04","07:17:41",""
"7056185","11.474","0.009","11.641","0.009","11.834","0.009","103.678","0.009","99.604","0.005","102.404","0.011","1460","2","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H96 N8 O21 P6 -","- C30 H92 N8 O21 P6 -","- C30 H92 N8 O21 P6 -","1","0.5","","Sun, Yu-Ling; Zheng, Bei-Bei; Zhang, Wen","Role of crystallization water molecules on hydrogen-bonded structures and dielectric phase transitions in amino trimethylene phosphonic acid-based crystals","New J. Chem.","2017","41","12","5142","5150","10.1039/C7NJ00612H","","","0.71073","MoKα","","0.0539","0.0441","","","0.1171","0.1241","","","","","","1.026","","","","has coordinates,has disorder","301442","2025-08-04","07:17:41",""
"7056186","11.1904","0.0016","13.7744","0.0017","14.105","0.002","90","","102.815","0.006","90","","2120","0.5","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H28 N O4 -","- C23 H28 N O4 -","- C92 H112 N4 O16 -","4","1","","Pal, Santanu Kumar; Kaur, Supreet; Punjani, Vidhika; Mohiuddin, Golam","Orthogonal smectic and nematic ordering in three-ring polar bent-core molecules with anti-parallel arrangement","New J. Chem.","2017","41","13","5403","5411","10.1039/C7NJ00272F","","","0.71075","MoKα","","0.122","0.0756","","","0.1928","0.2453","","","","","","1.071","","","","has coordinates","301442","2025-08-04","07:17:41",""
"7056187","8.431","0.007","9.94","0.003","13.486","0.015","108.84","0.07","98.46","0.18","96.64","0.16","1041.8","1.8","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C25 H24 F N O4 -","- C25 H24 F N O4 -","- C50 H48 F2 N2 O8 -","2","1","","Pal, Santanu Kumar; Kaur, Supreet; Punjani, Vidhika; Mohiuddin, Golam","Orthogonal smectic and nematic ordering in three-ring polar bent-core molecules with anti-parallel arrangement","New J. Chem.","2017","41","13","5403","5411","10.1039/C7NJ00272F","","","0.71075","MoKα","","0.0706","0.0562","","","0.1379","0.1794","","","","","","0.974","","","","has coordinates","301851","2025-08-21","20:32:55",""
"7056188","9.7378","0.0005","33.4196","0.0017","13.9653","0.0006","90","","105.609","0.001","90","","4377.2","0.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","[diaquatetraquis((2,6-dichlorophenyl)amino)phenyl)acetato-k2O,O')bis((mu-2,6-dichlorophenyl)amino)phenyl)acetato-k2O,O':kO)dimethanoldidysprosium(III)]","","- C86 H72 Cl12 Dy2 N6 O16 -","- C86 H72 Cl12 Dy2 N6 O16 -","- C172 H144 Cl24 Dy4 N12 O32 -","2","0.5","","Echenique-Errandonea, Estitxu; Oyarzabal, Itziar; Cepeda, Javier; San sebastian, Eider; Rodriguez-Dieguez, Antonio; Seco, José M","Photoluminescent and magnetic analysis of a family of lanthanide(III) complexes based on diclofenac","New J. Chem.","2017","41","13","5467","5475","10.1039/C7NJ00794A","","","0.71073","MoKα","","0.1351","0.0655","","","0.0656","0.0771","","","","","","1.064","","","","has coordinates","301851","2025-08-21","20:32:55",""
"7056189","9.87","0.0004","33.5491","0.0016","13.9418","0.0006","90","","105.907","0.0012","90","","4439.8","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","[diaquatetraquis((2,6-dichlorophenyl)amino)phenyl)acetato-k2O,O')bis((mu-2,6-dichlorophenyl)amino)phenyl)acetato-k2O,O':kO)dimethanoldipraseodymium(III)]","","- C86 H72 Cl12 N6 O16 Pr2 -","- C86 H72 Cl12 N6 O16 Pr2 -","- C172 H144 Cl24 N12 O32 Pr4 -","2","0.5","","Echenique-Errandonea, Estitxu; Oyarzabal, Itziar; Cepeda, Javier; San sebastian, Eider; Rodriguez-Dieguez, Antonio; Seco, José M","Photoluminescent and magnetic analysis of a family of lanthanide(III) complexes based on diclofenac","New J. Chem.","2017","41","13","5467","5475","10.1039/C7NJ00794A","","","0.71073","MoKα","","0.0282","0.023","","","0.0501","0.0519","","","","","","1.061","","","","has coordinates","301851","2025-08-21","20:32:55",""
"7056190","43.418","0.011","7.5014","0.0018","14.333","0.004","90","","105.777","0.008","90","","4492","2","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C27 H15 N3 O7 S -","- C27 H15 N3 O7 S -","- C216 H120 N24 O56 S8 -","8","1","","_, Shweta; Kumar, Ajit; -, Neeraj; Ashthana, Sharad Kumar; Upadhyay, Kaushal Kumar","A smart ratiometric red fluorescent chemodosimeter for fluoride based on anthraquinone nosylate","New J. Chem.","2017","41","12","5098","5104","10.1039/C7NJ01575E","","","0.71073","MoKα","","0.0999","0.0575","","","0.1378","0.1685","","","","","","1.041","","","","has coordinates","301851","2025-08-21","20:32:55",""
"7056191","13.4552","0.0012","13.5618","0.0012","25.287","0.002","96.117","0.003","103.136","0.003","91.355","0.003","4462.5","0.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C74 H122 N4 O10 Ti2 -","- C74 H122 N4 O10 Ti2 -","- C148 H244 N8 O20 Ti4 -","2","1","","Wang, Baolong; Zhao, Huanqin; Wang, Liying; Sun, Junmin; Zhang, Yongfeng; Cao, Zhenzhu","Immortal Ring-Opening Polymerization of Lactides with Super High Monomer to Catalyst Ratios Initiated by Zirconium and Titanium Complexes Containing Multidentate Amino-bis(phenolate) Ligands","New J. Chem.","2017","41","13","5669","5677","10.1039/C7NJ00483D","","","0.71073","MoKα","","0.0809","0.0588","","","0.147","0.158","","","","","","1.02","","","","has coordinates,has disorder","301442","2025-08-04","07:17:42",""
"7056192","11.867","0.0006","16.2871","0.0009","24.4789","0.0014","105.498","0.002","90.376","0.002","102.18","0.002","4446.6","0.4","282","2","282","2","","","","","","","","5","P -1","-P 1","2","","","","- C81 H124 N4 O6 Zr -","- C81 H124 N4 O6 Zr -","- C162 H248 N8 O12 Zr2 -","2","1","","Wang, Baolong; Zhao, Huanqin; Wang, Liying; Sun, Junmin; Zhang, Yongfeng; Cao, Zhenzhu","Immortal Ring-Opening Polymerization of Lactides with Super High Monomer to Catalyst Ratios Initiated by Zirconium and Titanium Complexes Containing Multidentate Amino-bis(phenolate) Ligands","New J. Chem.","2017","41","13","5669","5677","10.1039/C7NJ00483D","","","0.71073","MoKα","","0.0573","0.0495","","","0.1367","0.1426","","","","","","1.005","","","","has coordinates,has disorder","301851","2025-08-21","20:32:55",""
"7056193","18.6301","0.0016","5.101","0.0005","16.2579","0.0014","90","","119.173","0.003","90","","1349","0.2","298","2","298","2","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C24 H30 F2 N0 O4 S2 Sn -","- C24 H30 F2 O4 S2 Sn -","- C48 H60 F4 O8 S4 Sn2 -","2","0.5","","Qiu, Ya-Ru; Zhang, Ru-Fen; Zhang, Shaoliang; Cheng, Shuang; Li, Qianli; Ma, Chunlin","Novel organotin(IV) Complexes derived from 4-fluorophenyl- selenoacetic acid: synthesis, characterization and in vitro cytostatic activity evaluation","New J. Chem.","2017","41","13","5639","5650","10.1039/C7NJ00500H","","","0.71073","MoKα","","0.0667","0.0641","","","0.1684","0.1722","","","","","","1.038","","","","has coordinates,has disorder","301442","2025-08-04","07:17:43",""
"7056194","29.26","0.003","5.217","0.0005","20.7101","0.0018","90","","121.175","0.002","90","","2704.8","0.5","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H30 F2 O4 Se2 Sn -","- C24 H30 F2 O4 Se2 Sn -","- C96 H120 F8 O16 Se8 Sn4 -","4","0.5","","Qiu, Ya-Ru; Zhang, Ru-Fen; Zhang, Shaoliang; Cheng, Shuang; Li, Qianli; Ma, Chunlin","Novel organotin(IV) Complexes derived from 4-fluorophenyl- selenoacetic acid: synthesis, characterization and in vitro cytostatic activity evaluation","New J. Chem.","2017","41","13","5639","5650","10.1039/C7NJ00500H","","","0.71073","MoKα","","0.1128","0.0697","","","0.1632","0.1795","","","","","","1.078","","","","has coordinates,has disorder","301442","2025-08-04","07:17:43",""
"7056195","11.6817","0.0009","11.9698","0.001","17.8333","0.0015","90","","94.401","0.001","90","","2486.2","0.4","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C40 H48 F4 O10 S4 Sn4 -","- C40 H48 F4 O10 S4 Sn4 -","- C80 H96 F8 O20 S8 Sn8 -","2","0.5","","Qiu, Ya-Ru; Zhang, Ru-Fen; Zhang, Shaoliang; Cheng, Shuang; Li, Qianli; Ma, Chunlin","Novel organotin(IV) Complexes derived from 4-fluorophenyl- selenoacetic acid: synthesis, characterization and in vitro cytostatic activity evaluation","New J. Chem.","2017","41","13","5639","5650","10.1039/C7NJ00500H","","","0.71073","MoKα","","0.0874","0.0437","","","0.0779","0.093","","","","","","0.962","","","","has coordinates","301442","2025-08-04","07:17:43",""
"7056196","9.6149","0.0008","12.9348","0.0011","22.7853","0.0019","90","","90","","90","","2833.7","0.4","298","2","298","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C11 H15 F O2 Se Sn -","- C11 H15 F O2 Se Sn -","- C88 H120 F8 O16 Se8 Sn8 -","8","2","","Qiu, Ya-Ru; Zhang, Ru-Fen; Zhang, Shaoliang; Cheng, Shuang; Li, Qianli; Ma, Chunlin","Novel organotin(IV) Complexes derived from 4-fluorophenyl- selenoacetic acid: synthesis, characterization and in vitro cytostatic activity evaluation","New J. Chem.","2017","41","13","5639","5650","10.1039/C7NJ00500H","","","0.71073","MoKα","","0.1378","0.0751","","","0.1801","0.2055","","","","","","0.965","","","","has coordinates","301442","2025-08-04","07:17:43",""
"7056197","17.0682","0.0014","15.0174","0.0013","20.0535","0.0017","90","","93.693","0.001","90","","5129.4","0.8","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C40 H48 F4 O10 Se4 Sn4 -","- C40 H48 F4 O10 Se4 Sn4 -","- C160 H192 F16 O40 Se16 Sn16 -","4","0.5","","Qiu, Ya-Ru; Zhang, Ru-Fen; Zhang, Shaoliang; Cheng, Shuang; Li, Qianli; Ma, Chunlin","Novel organotin(IV) Complexes derived from 4-fluorophenyl- selenoacetic acid: synthesis, characterization and in vitro cytostatic activity evaluation","New J. Chem.","2017","41","13","5639","5650","10.1039/C7NJ00500H","","","0.71073","MoKα","","0.0813","0.048","","","0.1088","0.1259","","","","","","1.05","","","","has coordinates,has disorder","301442","2025-08-04","07:17:43",""
"7056198","10.5943","0.0009","14.476","0.0013","16.9105","0.0014","87.293","0.001","90.023","0.002","68.535","0.011","2410.4","0.4","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H66 F2 O4 S2 Sn2 -","- C40 H66 F2 O4 S2 Sn2 -","- C80 H132 F4 O8 S4 Sn4 -","2","1","","Qiu, Ya-Ru; Zhang, Ru-Fen; Zhang, Shaoliang; Cheng, Shuang; Li, Qianli; Ma, Chunlin","Novel organotin(IV) Complexes derived from 4-fluorophenyl- selenoacetic acid: synthesis, characterization and in vitro cytostatic activity evaluation","New J. Chem.","2017","41","13","5639","5650","10.1039/C7NJ00500H","","","0.71073","MoKα","","0.2374","0.1224","","","0.2919","0.318","","","","","","1.237","","","","has coordinates","301442","2025-08-04","07:17:43",""
"7056199","11.0008","0.0011","10.2461","0.0009","13.0833","0.0012","90","","107.192","0.002","90","","1408.8","0.2","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C11 H15 F O2 S Sn -","- C11 H15 F O2 S Sn -","- C44 H60 F4 O8 S4 Sn4 -","4","1","","Qiu, Ya-Ru; Zhang, Ru-Fen; Zhang, Shaoliang; Cheng, Shuang; Li, Qianli; Ma, Chunlin","Novel organotin(IV) Complexes derived from 4-fluorophenyl- selenoacetic acid: synthesis, characterization and in vitro cytostatic activity evaluation","New J. Chem.","2017","41","13","5639","5650","10.1039/C7NJ00500H","","","0.71073","MoKα","","0.0681","0.0388","","","0.0821","0.0975","","","","","","1.073","","","","has coordinates,has disorder","301442","2025-08-04","07:17:43",""
"7056200","10.3868","0.0008","13.7639","0.0011","18.295","0.0016","111.926","0.003","97.549","0.002","90.506","0.001","2400.5","0.3","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H66 F2 O4 Se2 Sn2 -","- C40 H66 F2 O4 Se2 Sn2 -","- C80 H132 F4 O8 Se4 Sn4 -","2","1","","Qiu, Ya-Ru; Zhang, Ru-Fen; Zhang, Shaoliang; Cheng, Shuang; Li, Qianli; Ma, Chunlin","Novel organotin(IV) Complexes derived from 4-fluorophenyl- selenoacetic acid: synthesis, characterization and in vitro cytostatic activity evaluation","New J. Chem.","2017","41","13","5639","5650","10.1039/C7NJ00500H","","","0.71073","MoKα","","0.1386","0.0666","","","0.1317","0.145","","","","","","1.11","","","","has coordinates","301442","2025-08-04","07:17:43",""
"7056201","9.5986","0.0005","9.7691","0.0005","10.0811","0.0005","102.586","0.003","97.413","0.002","116.651","0.002","796.22","0.07","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H17 N2 O4 P -","- C16 H17 N2 O4 P -","- C32 H34 N4 O8 P2 -","2","1","","Sudhapriya, Narayanasamy; Balachandran, Chandrasekar; Awale, Suresh; Perumal, Paramasivan Thirumalai","Sn(II)-mediated facile approach for the synthesis of 2-aryl-2H-indazole-3-phosphonates and their anticancer activity","New J. Chem.","2017","41","13","5582","5594","10.1039/C7NJ00843K","","","0.71073","MoKα","","0.0585","0.0378","","","0.0903","0.1066","","","","","","1.045","","","","has coordinates","301851","2025-08-21","20:32:55",""
"7056202","10.396","0.002","11.229","0.002","5.8102","0.0013","90","","90","","90","","678.3","0.2","173","2","173","2","","","","","","","","4","P n n 2","P 2 -2n","34","","","","- C5 H6 N8 O13 -","- C5 H6 N8 O13 -","- C10 H12 N16 O26 -","2","0.5","","Yu, Qiong; Cheng, Guangbin; Ju, Xuehai; Lu, Chunxu; Yang, Hongwei","An interesting ring cleavage of 1,2,4-oxadiazole ring","New J. Chem.","2017","41","12","4797","4801","10.1039/C7NJ01119A","","","0.71073","MoKα","","0.0729","0.0449","","","0.0834","0.096","","","","","","1.01","","","","has coordinates","301851","2025-08-21","20:32:55",""
"7056203","8.8179","0.0015","9.2863","0.0016","11.802","0.002","90","","101.562","0.004","90","","946.8","0.3","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C4 H5 N7 O7 -","- C4 H5 N7 O7 -","- C16 H20 N28 O28 -","4","1","","Yu, Qiong; Cheng, Guangbin; Ju, Xuehai; Lu, Chunxu; Yang, Hongwei","An interesting ring cleavage of 1,2,4-oxadiazole ring","New J. Chem.","2017","41","12","4797","4801","10.1039/C7NJ01119A","","","0.71073","MoKα","","0.119","0.0498","","","0.0728","0.0878","","","","","","1.02","","","","has coordinates","301851","2025-08-21","20:32:55",""
"7056204","7.1401","0.0011","7.804","0.0013","10.6428","0.0019","90","","109.113","0.003","90","","560.34","0.16","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C4 H5 N7 O10 -","- C4 H5 N7 O10 -","- C8 H10 N14 O20 -","2","1","","Yu, Qiong; Cheng, Guangbin; Ju, Xuehai; Lu, Chunxu; Yang, Hongwei","An interesting ring cleavage of 1,2,4-oxadiazole ring","New J. Chem.","2017","41","12","4797","4801","10.1039/C7NJ01119A","","","0.71073","MoKα","","0.0694","0.0444","","","0.0763","0.087","","","","","","1.022","","","","has coordinates","301851","2025-08-21","20:32:55",""
"7056205","12.7372","0.001","13.5883","0.0012","26.157","0.003","82.596","0.003","76.789","0.003","82.552","0.003","4347","0.7","150","","150","","","","","","","","synthesis as described","5","P 1","P 1","1","","","","- C97.5 H77.5 Cl4.5 N10 O8 -","- C97.5 H77.5 Cl4.5 N10 O8 -","- C195 H155 Cl9 N20 O16 -","2","2","","Gallo, Emma; Carminati, Daniela; Intrieri, Daniela; Le Gac, Stéphane; Roisnel, Thierry; Boitrel, Bernard; Toma, Lucio; Legnani, Laura","Synthesis, Characterisation and Catalytic Use of Iron Porphyrin Amino Ester Conjugates","New J. Chem.","2017","41","13","5950","5959","10.1039/C7NJ01189J","","x-ray","0.71073","MoKα","","0.0993","0.0811","","","0.2286","0.249","","","","","","1.101","","","","has coordinates","301442","2025-08-04","07:17:43",""
"7056206","8.5886","0.0002","9.2505","0.0003","9.5924","0.0003","75.382","0.003","71.148","0.003","87.868","0.003","697.06","0.04","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H26 Cl4 F2 N8 P4 -","- C20 H26 Cl4 F2 N8 P4 -","- C20 H26 Cl4 F2 N8 P4 -","1","0.5","","Elmas, Gamze; Okumuş, Aytuğ; Sevinç, Pelin; Kılıç, Zeynel; Açık, Leyla; Atalan, Mustafa; Turk, Mustafa; Deniz, Gökberk; Hökelek, Tuncer","Phosphorus-nitrogen compounds. Part 37. Syntheses and structural characterizations, biological activities of mono and bis(4-fluorobenzyl)spirocyclotetraphosphazenes","New J. Chem.","2017","41","13","5818","5835","10.1039/C7NJ00478H","","","0.71073","MoKα","","0.0471","0.0425","","","0.1132","0.1176","","","","","","1.055","","","","has coordinates","301851","2025-08-21","20:32:55",""
"7056207","37.3694","0.0012","10.3766","0.0003","15.8615","0.0005","90","","90","","90","","6150.6","0.3","173","2","173","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C22 H30 Cl4 F2 N8 P4 -","- C22 H30 Cl4 F2 N8 P4 -","- C176 H240 Cl32 F16 N64 P32 -","8","1","","Elmas, Gamze; Okumuş, Aytuğ; Sevinç, Pelin; Kılıç, Zeynel; Açık, Leyla; Atalan, Mustafa; Turk, Mustafa; Deniz, Gökberk; Hökelek, Tuncer","Phosphorus-nitrogen compounds. Part 37. Syntheses and structural characterizations, biological activities of mono and bis(4-fluorobenzyl)spirocyclotetraphosphazenes","New J. Chem.","2017","41","13","5818","5835","10.1039/C7NJ00478H","","","0.71073","MoKα","","0.0835","0.0482","","","0.0872","0.0984","","","","","","1.038","","","","has coordinates","301851","2025-08-21","20:32:55",""
"7056208","8.8404","0.0003","19.0391","0.0005","9.1699","0.0003","90","","101.828","0.002","90","","1510.64","0.08","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H30 Cl4 F2 N8 P4 -","- C22 H30 Cl4 F2 N8 P4 -","- C44 H60 Cl8 F4 N16 P8 -","2","0.5","","Elmas, Gamze; Okumuş, Aytuğ; Sevinç, Pelin; Kılıç, Zeynel; Açık, Leyla; Atalan, Mustafa; Turk, Mustafa; Deniz, Gökberk; Hökelek, Tuncer","Phosphorus-nitrogen compounds. Part 37. Syntheses and structural characterizations, biological activities of mono and bis(4-fluorobenzyl)spirocyclotetraphosphazenes","New J. Chem.","2017","41","13","5818","5835","10.1039/C7NJ00478H","","","0.71073","MoKα","","0.0558","0.0371","","","0.0987","0.1157","","","","","","1.081","","","","has coordinates","301851","2025-08-21","20:32:55",""
"7056209","14.1757","0.0006","9.6136","0.0003","17.0845","0.0006","90","","97.777","0.002","90","","2306.85","0.15","160","2","160","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C16 H19 I4 N2 O4 -","- C16 H19 I4 N2 O4 -","- C64 H76 I16 N8 O16 -","4","1","","Hadjikakou, Sotiris K.; Banti, C. N.; Kourkoumelis, Nikolaos; Raptopoulou, Catherine; Psycharis, Vassilis","N-(4-hydroxyphenyl)acetamide against di-iodine towards polyiodide dianion","New J. Chem.","2017","41","13","5555","5564","10.1039/C7NJ01117B","","","0.71073","MoKα","","0.0264","0.0234","","","0.0543","0.0557","","","","","","1.05","","","","has coordinates","301442","2025-08-04","07:17:45",""
"7056210","10.1275","0.0003","15.4288","0.0004","19.3778","0.0006","90","","103.679","0.002","90","","2942","0.15","110","","110","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C35 H35 Fe N4 O3 -","- C35 H35 Fe N4 O3 -","- C140 H140 Fe4 N16 O12 -","4","1","","Pogány, Lukáš; Moncol, Jan; Pavlik, Jan; Salitros, Ivan","Series of High Spin Mononuclear Iron(III) Complexes with Schiff Base ligands derived from 2-hydroxybenzophenones","New J. Chem.","2017","41","13","5904","5915","10.1039/C7NJ00617A","","","1.54186","CuKα","","0.0395","0.0258","","","0.047","0.0481","","","","","","0.82","","","","has coordinates","301851","2025-08-21","20:32:55",""
"7056211","10.2617","0.0003","15.2514","0.0003","19.5057","0.0005","90","","105.111","0.002","90","","2947.19","0.13","110","","110","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34 H35 Fe N6 O2 -","- C34 H35 Fe N6 O2 -","- C136 H140 Fe4 N24 O8 -","4","1","","Pogány, Lukáš; Moncol, Jan; Pavlik, Jan; Salitros, Ivan","Series of High Spin Mononuclear Iron(III) Complexes with Schiff Base ligands derived from 2-hydroxybenzophenones","New J. Chem.","2017","41","13","5904","5915","10.1039/C7NJ00617A","","","1.54186","CuKα","","0.0338","0.0268","","","0.0651","0.0671","","","","","","1.007","","","","has coordinates","301851","2025-08-21","20:32:55",""
"7056212","10.3034","0.0003","15.3208","0.0004","18.1489","0.0006","90","","101.693","0.003","90","","2805.46","0.15","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H31 Cl Fe N3 O2 -","- C32 H31 Cl Fe N3 O2 -","- C128 H124 Cl4 Fe4 N12 O8 -","4","1","","Pogány, Lukáš; Moncol, Jan; Pavlik, Jan; Salitros, Ivan","Series of High Spin Mononuclear Iron(III) Complexes with Schiff Base ligands derived from 2-hydroxybenzophenones","New J. Chem.","2017","41","13","5904","5915","10.1039/C7NJ00617A","","","1.54186","CuKα","","0.0458","0.0404","","","0.1097","0.1126","","","","","","1.054","","","","has coordinates","301442","2025-08-04","07:17:58",""
"7056213","18.7577","0.0005","18.8838","0.0006","16.1938","0.0004","90","","90","","90","","5736.1","0.3","100","","100","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C32 H31 Fe N6 O2 -","- C32 H31 Fe N6 O2 -","- C256 H248 Fe8 N48 O16 -","8","1","","Pogány, Lukáš; Moncol, Jan; Pavlik, Jan; Salitros, Ivan","Series of High Spin Mononuclear Iron(III) Complexes with Schiff Base ligands derived from 2-hydroxybenzophenones","New J. Chem.","2017","41","13","5904","5915","10.1039/C7NJ00617A","","","1.54186","CuKα","","0.0468","0.0307","","","0.0686","0.0717","","","","","","0.878","","","","has coordinates","301851","2025-08-21","20:32:55",""
"7056214","9.8877","0.0002","12.8918","0.0002","13.8494","0.0002","102.167","0.001","97.837","0.001","109.243","0.001","1588.28","0.05","110","","110","","","","","","","","","6","P -1","-P 1","2","","","","- C32 H29 Br2 Fe N6 O2 -","- C32 H29 Br2 Fe N6 O2 -","- C64 H58 Br4 Fe2 N12 O4 -","2","1","","Pogány, Lukáš; Moncol, Jan; Pavlik, Jan; Salitros, Ivan","Series of High Spin Mononuclear Iron(III) Complexes with Schiff Base ligands derived from 2-hydroxybenzophenones","New J. Chem.","2017","41","13","5904","5915","10.1039/C7NJ00617A","","","1.54186","CuKα","","0.0352","0.0329","","","0.0898","0.0908","","","","","","1.123","","","","has coordinates,has disorder","301851","2025-08-21","20:32:55",""
"7056215","9.6274","0.0003","15.2106","0.0003","19.5026","0.0007","90","","97.639","0.003","90","","2830.59","0.15","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H25 Cl2 Fe N6 O2 -","- C30 H25 Cl2 Fe N6 O2 -","- C120 H100 Cl8 Fe4 N24 O8 -","4","1","","Pogány, Lukáš; Moncol, Jan; Pavlik, Jan; Salitros, Ivan","Series of High Spin Mononuclear Iron(III) Complexes with Schiff Base ligands derived from 2-hydroxybenzophenones","New J. Chem.","2017","41","13","5904","5915","10.1039/C7NJ00617A","","","1.54186","CuKα","","0.0555","0.0458","","","0.1257","0.1347","","","","","","1.082","","","","has coordinates","301851","2025-08-21","20:32:55",""
"7056216","9.4543","0.0003","15.3791","0.0004","19.5339","0.0005","90","","95.402","0.002","90","","2827.59","0.14","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C31 H25 Cl2 Fe N4 O3 -","- C31 H25 Cl2 Fe N4 O3 -","- C124 H100 Cl8 Fe4 N16 O12 -","4","1","","Pogány, Lukáš; Moncol, Jan; Pavlik, Jan; Salitros, Ivan","Series of High Spin Mononuclear Iron(III) Complexes with Schiff Base ligands derived from 2-hydroxybenzophenones","New J. Chem.","2017","41","13","5904","5915","10.1039/C7NJ00617A","","","1.54186","CuKα","","0.0362","0.0328","","","0.0941","0.0984","","","","","","1.077","","","","has coordinates","301851","2025-08-21","20:32:55",""
"7056217","10.1152","0.0003","13.0131","0.0003","13.8985","0.0004","101.157","0.002","96.653","0.002","110.337","0.002","1649.33","0.08","110","","110","","","","","","","","","6","P -1","-P 1","2","","","","- C33 H31 Br2 Fe N6 O2 -","- C33 H31 Br2 Fe N6 O2 -","- C66 H62 Br4 Fe2 N12 O4 -","2","1","","Pogány, Lukáš; Moncol, Jan; Pavlik, Jan; Salitros, Ivan","Series of High Spin Mononuclear Iron(III) Complexes with Schiff Base ligands derived from 2-hydroxybenzophenones","New J. Chem.","2017","41","13","5904","5915","10.1039/C7NJ00617A","","","1.54186","CuKα","","0.0348","0.0303","","","0.0788","0.0801","","","","","","0.959","","","","has coordinates,has disorder","301851","2025-08-21","20:32:55",""
"7056218","10.949","0.0003","11.8076","0.0003","13.3882","0.0003","97.761","0.002","104.537","0.002","109.503","0.002","1533.21","0.07","110","","110","","","","","","","","","6","P -1","-P 1","2","","","","- C34 H35 Cl Fe N3 O2 -","- C34 H35 Cl Fe N3 O2 -","- C68 H70 Cl2 Fe2 N6 O4 -","2","1","","Pogány, Lukáš; Moncol, Jan; Pavlik, Jan; Salitros, Ivan","Series of High Spin Mononuclear Iron(III) Complexes with Schiff Base ligands derived from 2-hydroxybenzophenones","New J. Chem.","2017","41","13","5904","5915","10.1039/C7NJ00617A","","","1.54186","CuKα","","0.0328","0.0288","","","0.0728","0.0738","","","","","","0.965","","","","has coordinates","301442","2025-08-04","07:18:15",""
"7056219","15.6116","0.0005","15.6116","0.0005","44.947","0.003","90","","90","","120","","9486.9","0.8","173","2","173","2","","","","","","","","7","R -3 c :H","-R 3 2""c","167","","","","- C45 H50 Cl6 Cu6 Gd2 N8 O13 -","- C45 H50.0004 Cl6 Cu6 Gd2 N8 O13 -","- C270 H300.002 Cl36 Cu36 Gd12 N48 O78 -","6","0.166667","","Wang, Hui-Sheng; Yang, Feng-Jun; Long, Qiao-Qiao; Huang, Zhi-Yong; Chen, Wei; Pan, Zhiquan","Syntheses, Crystal Structures, and Magnetic Properties of a Family of Heterometallic Octanuclear [Cu6Ln2] (Ln = Dy(III), Tb(III), Ho(III), Er(III), and Gd(III)) Complexes","New J. Chem.","2017","41","13","5884","5892","10.1039/C7NJ00459A","","","0.71073","MoKα","","0.0876","0.054","","","0.1363","0.1529","","","","","","1.055","","","","has coordinates","301442","2025-08-04","07:18:15",""
"7056220","15.8523","0.0006","15.8523","0.0006","44.49","0.007","90","","90","","120","","9682.3","1.6","293","2","293","2","","","","","","","","7","R -3 c :H","-R 3 2""c","167","","","","- C45 H48 Cl6 Cu6 N8 O12 Tb2 -","- C45 H48 Cl6 Cu6 N8 O12 Tb2 -","- C270 H288 Cl36 Cu36 N48 O72 Tb12 -","6","0.166667","","Wang, Hui-Sheng; Yang, Feng-Jun; Long, Qiao-Qiao; Huang, Zhi-Yong; Chen, Wei; Pan, Zhiquan","Syntheses, Crystal Structures, and Magnetic Properties of a Family of Heterometallic Octanuclear [Cu6Ln2] (Ln = Dy(III), Tb(III), Ho(III), Er(III), and Gd(III)) Complexes","New J. Chem.","2017","41","13","5884","5892","10.1039/C7NJ00459A","","","0.71073","MoKα","","0.1799","0.1166","","","0.3294","0.3585","","","","","","1.181","","","","has coordinates","301442","2025-08-04","07:18:16",""
"7056221","15.6219","0.0005","15.6219","0.0005","44.866","0.003","90","","90","","120","","9482.3","0.8","173","2","173","2","","","","","","","","7","R -3 c :H","-R 3 2""c","167","","","","- C45 H50 Cl6 Cu6 Ho2 N8 O13 -","- C45 H50.0004 Cl6 Cu6 Ho2 N8 O13 -","- C270 H300.002 Cl36 Cu36 Ho12 N48 O78 -","6","0.166667","","Wang, Hui-Sheng; Yang, Feng-Jun; Long, Qiao-Qiao; Huang, Zhi-Yong; Chen, Wei; Pan, Zhiquan","Syntheses, Crystal Structures, and Magnetic Properties of a Family of Heterometallic Octanuclear [Cu6Ln2] (Ln = Dy(III), Tb(III), Ho(III), Er(III), and Gd(III)) Complexes","New J. Chem.","2017","41","13","5884","5892","10.1039/C7NJ00459A","","","0.71073","MoKα","","0.0761","0.0389","","","0.0787","0.0867","","","","","","1.011","","","","has coordinates","301442","2025-08-04","07:18:16",""
"7056222","15.7612","0.0005","15.7612","0.0005","44.844","0.002","90","","90","","120","","9647.5","0.6","293","2","293","2","","","","","","","","7","R -3 c :H","-R 3 2""c","167","","","","- C45 H62 Cl6 Cu6 Er2 N8 O19 -","- C45 H62.0004 Cl6 Cu6 Er2 N8 O19 -","- C270 H372.002 Cl36 Cu36 Er12 N48 O114 -","6","0.166667","","Wang, Hui-Sheng; Yang, Feng-Jun; Long, Qiao-Qiao; Huang, Zhi-Yong; Chen, Wei; Pan, Zhiquan","Syntheses, Crystal Structures, and Magnetic Properties of a Family of Heterometallic Octanuclear [Cu6Ln2] (Ln = Dy(III), Tb(III), Ho(III), Er(III), and Gd(III)) Complexes","New J. Chem.","2017","41","13","5884","5892","10.1039/C7NJ00459A","","","0.71073","MoKα","","0.0654","0.0352","","","0.0784","0.0918","","","","","","1.042","","","","has coordinates,has disorder","301442","2025-08-04","07:18:16",""
"7056223","15.6308","0.0012","15.6308","0.0012","44.638","0.007","90","","90","","120","","9444.9","1.8","293","2","293","2","","","","","","","","7","R -3 c :H","-R 3 2""c","167","","","","- C45 H50 Cl6 Cu6 Dy2 N8 O13 -","- C45 H50.0004 Cl6 Cu6 Dy2 N8 O13 -","- C270 H300.002 Cl36 Cu36 Dy12 N48 O78 -","6","0.166667","","Wang, Hui-Sheng; Yang, Feng-Jun; Long, Qiao-Qiao; Huang, Zhi-Yong; Chen, Wei; Pan, Zhiquan","Syntheses, Crystal Structures, and Magnetic Properties of a Family of Heterometallic Octanuclear [Cu6Ln2] (Ln = Dy(III), Tb(III), Ho(III), Er(III), and Gd(III)) Complexes","New J. Chem.","2017","41","13","5884","5892","10.1039/C7NJ00459A","","","0.71073","MoKα","","0.1208","0.0732","","","0.1781","0.1934","","","","","","1.064","","","","has coordinates","301442","2025-08-04","07:18:16",""
"7056224","19.468","0.002","12.1352","0.0013","11.6945","0.0011","90","","92.665","0.004","90","","2759.8","0.5","173","2","173","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C48 H16 N16 O40 -","- C48 H16 N16 O40 -","- C96 H32 N32 O80 -","2","0.5","","Zhang, Cheng Xing; Cheng, Guangbin; xiong, hualin; yang, hongwei","14,16,34,36,54,56,74,76-octanitro-2,4,6,8-tetraoxa-1,3,5,7(1,3) -tetrabenzenacyclooctaphane and its derivatives: Thermally Stable Explosive with Outstanding Properties","New J. Chem.","2017","41","13","5764","5769","10.1039/C7NJ01057E","","","0.71073","MoKα","","0.1093","0.0621","","","0.1183","0.1416","","","","","","1.06","","","","has coordinates,has disorder","301851","2025-08-21","20:32:55",""
"7056225","11.2554","0.0006","19.5586","0.0009","20.6007","0.001","99.125","0.002","98.574","0.002","95.584","0.002","4393.5","0.4","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C34 H28 N8 O24 -","- C34 H28 N8 O24 -","- C136 H112 N32 O96 -","4","2","","Zhang, Cheng Xing; Cheng, Guangbin; xiong, hualin; yang, hongwei","14,16,34,36,54,56,74,76-octanitro-2,4,6,8-tetraoxa-1,3,5,7(1,3) -tetrabenzenacyclooctaphane and its derivatives: Thermally Stable Explosive with Outstanding Properties","New J. Chem.","2017","41","13","5764","5769","10.1039/C7NJ01057E","","","0.71073","MoKα","","0.1398","0.058","","","0.1148","0.1429","","","","","","1.068","","","","has coordinates,has disorder","301442","2025-08-04","07:18:17",""
"7056226","9.022","0.0005","30.897","0.002","22.709","0.002","90","","110.681","0.003","90","","5922.3","0.7","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3b","","- C56 H84 N12 O8 -","- C56 H84 N12 O8 -","- C224 H336 N48 O32 -","4","1","","Canard, Gabriel; Jacquemin, Denis; SIRI, Olivier; Azarias, Cloé; Chen, Zhongrui","Straighforward Metal-Free Synthesis of an Azacalix[6]arene Forming a Host-Guest Complex with Fullerene C60","New J. Chem.","2017","41","13","5284","5290","10.1039/C7NJ00697G","","","0.71073","MoKα","","0.319","0.1173","","","0.2937","0.3704","","","","","","0.914","","","","has coordinates,has disorder","301851","2025-08-21","20:32:55",""
"7056227","14.8072","0.0005","41.1391","0.0012","34.898","0.002","90","","95.387","0.005","90","","21164.4","1.5","173","0.1","173","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C185 H304 N36 O33 S9 -","- C185 H304 N36 O33 S9 -","- C740 H1216 N144 O132 S36 -","4","1","","Canard, Gabriel; Jacquemin, Denis; SIRI, Olivier; Azarias, Cloé; Chen, Zhongrui","Straighforward Metal-Free Synthesis of an Azacalix[6]arene Forming a Host-Guest Complex with Fullerene C60","New J. Chem.","2017","41","13","5284","5290","10.1039/C7NJ00697G","","x-ray","1.54184","CuKα","","0.2692","0.167","","","0.4174","0.4808","","","","","","1.286","","","","has coordinates,has disorder","301851","2025-08-21","20:32:55",""
"7056228","12.5399","0.0002","16.3862","0.0003","20.942","0.0003","80.9688","0.0013","86.279","0.0013","79.9538","0.0014","4181.57","0.12","100.02","0.1","100.15","","","","","","","","","9","P -1","-P 1","2","","","","- C65 H92 Cl2 Cu F24 N12 Ni O8 P4 -","- C65 H92 Cl2 Cu F24 N12 Ni O8 P4 -","- C130 H184 Cl4 Cu2 F48 N24 Ni2 O16 P8 -","2","1","","Tomczyk, Karolina; Wozny, Mateusz; Domagala, Slawomir; Wieckowska, Agnieszka; Pawłowska, Joanna; Wozniak, Krzysztof; Korybut-Daszkiewicz, Bohdan","Rotaxanes composed of dibenzo-24-crown-8 and macrocyclic transition metal complexing tetraimine units","New J. Chem.","2017","41","13","6004","6013","10.1039/C7NJ00909G","","x-ray","0.71073","MoKα","","0.1011","0.0762","","","0.2516","0.2663","","","","","","1.079","","","","has coordinates,has disorder","301442","2025-08-04","07:19:40",""
"7056229","12.7226","0.0004","16.6566","0.0006","20.9375","0.0006","76.752","0.003","87.027","0.003","81.031","0.003","4265.5","0.2","100","0.1","100.15","","","","","","","","","8","P -1","-P 1","2","","","","- C66 H93.5 Cl2 F24 N12.5 Ni2 O8 P4 -","- C66 H93.5 Cl2 F24 N12.5 Ni2 O8 P4 -","- C132 H187 Cl4 F48 N25 Ni4 O16 P8 -","2","1","","Tomczyk, Karolina; Wozny, Mateusz; Domagala, Slawomir; Wieckowska, Agnieszka; Pawłowska, Joanna; Wozniak, Krzysztof; Korybut-Daszkiewicz, Bohdan","Rotaxanes composed of dibenzo-24-crown-8 and macrocyclic transition metal complexing tetraimine units","New J. Chem.","2017","41","13","6004","6013","10.1039/C7NJ00909G","","x-ray","1.54184","CuKα","","0.1154","0.1061","","","0.3443","0.3602","","","","","","1.635","","","","has coordinates,has disorder","301851","2025-08-21","20:32:55",""
"7056230","13.7274","0.0003","16.1814","0.0004","21.4063","0.0004","74.0155","0.0019","88.0178","0.0017","69.385","0.002","4268.12","0.18","100","0.1","100","0.1","","","","","","","","8","P -1","-P 1","2","","","","- C70.7 H103.39 Cu F24 N12 Ni O10.23 P4 -","- C70.699 H103.398 Cu F24 N12 Ni O10.233 P4 -","- C141.398 H206.796 Cu2 F48 N24 Ni2 O20.466 P8 -","2","1","","Tomczyk, Karolina; Wozny, Mateusz; Domagala, Slawomir; Wieckowska, Agnieszka; Pawłowska, Joanna; Wozniak, Krzysztof; Korybut-Daszkiewicz, Bohdan","Rotaxanes composed of dibenzo-24-crown-8 and macrocyclic transition metal complexing tetraimine units","New J. Chem.","2017","41","13","6004","6013","10.1039/C7NJ00909G","","x-ray","0.71073","MoKα","","0.0802","0.0403","","","0.0998","0.1066","","","","","","0.923","","","","has coordinates,has disorder","301442","2025-08-04","07:20:10",""
"7056231","15.85747","0.00018","16.3923","0.0002","17.6221","0.0002","82.1184","0.0011","63.7171","0.0012","88.1675","0.001","4066.21","0.09","100","0.1","100.15","","","","","","","","","7","P -1","-P 1","2","","","","- C65.36 H96.18 F24 N12 Ni2 O10.18 P4 -","- C65.365 H96.178 F24 N12 Ni2 O10.179 P4 -","- C130.73 H192.356 F48 N24 Ni4 O20.358 P8 -","2","1","","Tomczyk, Karolina; Wozny, Mateusz; Domagala, Slawomir; Wieckowska, Agnieszka; Pawłowska, Joanna; Wozniak, Krzysztof; Korybut-Daszkiewicz, Bohdan","Rotaxanes composed of dibenzo-24-crown-8 and macrocyclic transition metal complexing tetraimine units","New J. Chem.","2017","41","13","6004","6013","10.1039/C7NJ00909G","","x-ray","1.54184","CuKα","","0.0895","0.0794","","","0.227","0.2364","","","","","","1.029","","","","has coordinates,has disorder","301442","2025-08-04","07:20:29",""
"7056232","6.246","0.002","23.899","0.007","8.301","0.002","90","","97.582","0.013","90","","1228.3","0.6","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","tetrazol ylselanyl methyl (p-tolyl) oxadiazole","2-((1H-tetrazol-5-ylselanyl)methyl)-5-(p-tolyl)-1,3,4-oxadiazole","","- C11 H10 N6 O Se -","- C11 H10 N6 O Se -","- C44 H40 N24 O4 Se4 -","4","1","","Leal, Julliano Guerin; Sauer, André Carpes; Mayer, João Cândido Pilar; Stefanello, Sílvio Terra; Gonçalves, Debora Farina; Soares, FAA; Iglesias, Bernardo Almeida; Back, Davi Fernando; Rodrigues, Oscar E. D.; Dornelles, Luciano","Synthesis and electrochemical and antioxidant properties of chalcogenocyanateoxadiazole and 5-heteroarylchalcogenomethyl-1H-tetrazole derivatives","New J. Chem.","2017","41","13","5875","5883","10.1039/C7NJ00920H","","","0.71073","MoKα","","0.0481","0.0386","","","0.138","0.1436","","","","","","1.167","","","","has coordinates","301851","2025-08-21","20:32:55",""
"7056233","11.0531","0.0005","12.0593","0.0006","12.8518","0.0007","63.248","0.002","75.096","0.002","88.79","0.002","1469.31","0.13","150","","150","","","","","","","","synthesis as described","4","P -1","-P 1","2","","","","- C36 H24 O8 P2 -","- C36 H24 O8 P2 -","- C72 H48 O16 P4 -","2","1","","Bouhachicha, M.; Ngo Ndimba, A.; Roisnel, T.; Lalli, C.; Argouarch, G.","Pure phosphotriesters as versatile ligands in transition metal catalysis: efficient hydrosilylation of ketones and diethylzinc addition to aldehydes","New J. Chem.","2017","41","12","4767","4770","10.1039/C7NJ00566K","","x-ray","0.71073","MoKα","","0.0472","0.0349","","","0.0894","0.0962","","","","","","1.033","","","","has coordinates","301851","2025-08-21","20:32:55",""
"7056234","11.0492","0.0008","6.9453","0.0006","13.528","0.001","90","","107.219","0.008","90","","991.61","0.14","297","2","297","2","","","","","","","","4","I 1 2/m 1","-I 2y","12","","4,7-Dimethyl-2H-chromen-2-thione","","- C11 H10 O S -","- C11 H10 O S -","- C44 H40 O4 S4 -","4","0.5","","Delgado Espinosa, Zuly; Saeed, Aamer; Mahmood, Shamsul; Echeverría, Gustavo A.; Piro, Oscar E.; Erben, Mauricio Federico Federico","The Effect of Chalcogen Substitution on the Structure and Spectroscopy of 4,7-Dimethyl-2H-chromen-2-one/thione Analogues","New J. Chem.","2017","41","13","5770","5783","10.1039/C7NJ01311F","","x-ray","1.54184","CuKα","","0.0596","0.0495","","","0.135","0.1507","","","","","","1.039","","","","has coordinates","301851","2025-08-21","20:32:55",""
"7056235","9.243","0.008","12.671","0.009","9.346","0.008","90","","117.356","0.01","90","","972.2","1.4","302","2","302","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C22 H28 O4 -","- C22 H28 O4 -","- C44 H56 O8 -","2","1","","P, Dhanya B; Gopalan, Greeshma; T. R., Reshmitha; Saranya, Jayaram; P, Sharathna; I.G., SHIBI; P, Nisha; K. V., Radhakrishnan","Synthesis and in vitro evaluation of zerumbone pendant derivatives: Potent candidates for anti-diabetic and anti-proliferative activities","New J. Chem.","2017","41","15","6960","6964","10.1039/C7NJ01098B","","","0.71073","MoKα","","0.1215","0.055","","","0.0887","0.1072","","","","","","0.814","","","","has coordinates","301851","2025-08-21","20:32:55",""
"7056236","14.688","0.016","10.009","0.01","15.31","0.016","90","","111.284","0.015","90","","2097","4","298","2","298","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C23 H28 O5 -","- C23 H28 O5 -","- C92 H112 O20 -","4","1","","P, Dhanya B; Gopalan, Greeshma; T. R., Reshmitha; Saranya, Jayaram; P, Sharathna; I.G., SHIBI; P, Nisha; K. V., Radhakrishnan","Synthesis and in vitro evaluation of zerumbone pendant derivatives: Potent candidates for anti-diabetic and anti-proliferative activities","New J. Chem.","2017","41","15","6960","6964","10.1039/C7NJ01098B","","","0.71073","MoKα","","0.0933","0.0509","","","0.1141","0.1289","","","","","","0.712","","","","has coordinates","301442","2025-08-04","07:21:54",""
"7056237","9.123","0.0009","16.1575","0.0015","21.934","0.002","90","","90","","90","","3233.2","0.5","294","2","294","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C26 H32 Br2 Cl4 Cu3 N4 O4 -","- C26 H32 Br2 Cl4 Cu3 N4 O4 -","- C104 H128 Br8 Cl16 Cu12 N16 O16 -","4","0.5","","Bhattacharjee, Aradhita; Halder, Shibashis; Ghosh, Koushik; Rizzoli, Corrado; Roy, Partha","Mono-, tri- and polynuclear copper(II) complexes of Schiff-base ligands: Synthesis, characterization and catalytic activity towards alcohol oxidation","New J. Chem.","2017","41","13","5696","5706","10.1039/C7NJ00846E","","","0.71073","MoKα","","0.0347","0.0265","","","0.0658","0.0706","","","","","","1.04","","","","has coordinates","301442","2025-08-04","07:22:08",""
"7056238","13.5037","0.0006","16.8086","0.0006","6.7657","0.0003","90","","119.501","0.004","90","","1336.56","0.11","294","2","294","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C11 H14 Cl Cu N5 O -","- C11 H14 Cl Cu N5 O -","- C44 H56 Cl4 Cu4 N20 O4 -","4","1","","Bhattacharjee, Aradhita; Halder, Shibashis; Ghosh, Koushik; Rizzoli, Corrado; Roy, Partha","Mono-, tri- and polynuclear copper(II) complexes of Schiff-base ligands: Synthesis, characterization and catalytic activity towards alcohol oxidation","New J. Chem.","2017","41","13","5696","5706","10.1039/C7NJ00846E","","","0.71073","MoKα","","0.0333","0.0294","","","0.0615","0.0629","","","","","","1.038","","","","has coordinates","301442","2025-08-04","07:22:23",""
"7056239","24.123","0.006","6.7026","0.0016","17.89","0.004","90","","90","","90","","2892.6","1.2","294","2","294","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C12 H17 Cl2 Cu N3 O -","- C12 H17 Cl2 Cu N3 O -","- C96 H136 Cl16 Cu8 N24 O8 -","8","2","","Bhattacharjee, Aradhita; Halder, Shibashis; Ghosh, Koushik; Rizzoli, Corrado; Roy, Partha","Mono-, tri- and polynuclear copper(II) complexes of Schiff-base ligands: Synthesis, characterization and catalytic activity towards alcohol oxidation","New J. Chem.","2017","41","13","5696","5706","10.1039/C7NJ00846E","","","0.71073","MoKα","","0.0607","0.0531","","","0.1267","0.1337","","","","","","1.047","","","","has coordinates","301442","2025-08-04","07:22:36",""
"7056240","13.5975","0.0011","16.1208","0.0013","17.9767","0.0015","90","","103.432","0.001","90","","3832.8","0.5","296","2","296","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C58 H74 B2 Cu Fe2 Gd N21 O10 -","- C58 H74 B2 Cu Fe2 Gd N21 O10 -","- C116 H148 B4 Cu2 Fe4 Gd2 N42 O20 -","2","1","","Deng, Xiao-Wei; Cai, Li-Zheng; Zhu, Zhao-Xia; Gao, Feng; Zhou, Yanling; Yao, Min-Xia","Synthesis, Structures and Magnetic Properties of Chiral 3d-3d'-4f Heterotrimetallic Complexes Based on [(Tp*)Fe(CN)3]-","New J. Chem.","2017","41","13","5988","5994","10.1039/C7NJ01413A","","","0.71073","MoKα","","0.0618","0.0457","","","0.1038","0.1097","","","","","","0.951","","","","has coordinates","301442","2025-08-04","07:22:49",""
"7056241","13.4352","0.0009","16.0651","0.0011","17.6194","0.0012","90","","103.548","0.001","90","","3697.1","0.4","296","2","296","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C58 H74 B2 Cu Fe2 Gd N21 O10 -","- C58 H74 B2 Cu Fe2 Gd N21 O10 -","- C116 H148 B4 Cu2 Fe4 Gd2 N42 O20 -","2","1","","Deng, Xiao-Wei; Cai, Li-Zheng; Zhu, Zhao-Xia; Gao, Feng; Zhou, Yanling; Yao, Min-Xia","Synthesis, Structures and Magnetic Properties of Chiral 3d-3d'-4f Heterotrimetallic Complexes Based on [(Tp*)Fe(CN)3]-","New J. Chem.","2017","41","13","5988","5994","10.1039/C7NJ01413A","","","0.71073","MoKα","","0.0537","0.0421","","","0.0773","0.0813","","","","","","0.982","","","","has coordinates","301442","2025-08-04","07:22:52",""
"7056242","13.559","0.007","16.024","0.009","17.767","0.01","90","","103.229","0.009","90","","3758","4","296","2","296","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C58 H74 B2 Cu Fe2 N21 O10 Tb -","- C58 H74 B2 Cu Fe2 N21 O10 Tb -","- C116 H148 B4 Cu2 Fe4 N42 O20 Tb2 -","2","1","","Deng, Xiao-Wei; Cai, Li-Zheng; Zhu, Zhao-Xia; Gao, Feng; Zhou, Yanling; Yao, Min-Xia","Synthesis, Structures and Magnetic Properties of Chiral 3d-3d'-4f Heterotrimetallic Complexes Based on [(Tp*)Fe(CN)3]-","New J. Chem.","2017","41","13","5988","5994","10.1039/C7NJ01413A","","","0.71073","MoKα","","0.0641","0.0418","","","0.0763","0.0827","","","","","","0.922","","","","has coordinates","301442","2025-08-04","07:22:53",""
"7056243","13.4347","0.0011","16.067","0.0013","17.6509","0.0014","90","","103.589","0.001","90","","3703.4","0.5","296","2","296","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C58 H74 B2 Cu Dy Fe2 N21 O10 -","- C58 H74 B2 Cu Dy Fe2 N21 O10 -","- C116 H148 B4 Cu2 Dy2 Fe4 N42 O20 -","2","1","","Deng, Xiao-Wei; Cai, Li-Zheng; Zhu, Zhao-Xia; Gao, Feng; Zhou, Yanling; Yao, Min-Xia","Synthesis, Structures and Magnetic Properties of Chiral 3d-3d'-4f Heterotrimetallic Complexes Based on [(Tp*)Fe(CN)3]-","New J. Chem.","2017","41","13","5988","5994","10.1039/C7NJ01413A","","","0.71073","MoKα","","0.0379","0.0328","","","0.063","0.0647","","","","","","0.941","","","","has coordinates","301442","2025-08-04","07:22:53",""
"7056244","13.5669","0.0013","16.1004","0.0016","17.8246","0.0018","90","","103.271","0.001","90","","3789.5","0.6","296","2","296","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C58 H74 B2 Cu Fe2 N21 O10 Tb -","- C58 H74 B2 Cu Fe2 N21 O10 Tb -","- C116 H148 B4 Cu2 Fe4 N42 O20 Tb2 -","2","1","","Deng, Xiao-Wei; Cai, Li-Zheng; Zhu, Zhao-Xia; Gao, Feng; Zhou, Yanling; Yao, Min-Xia","Synthesis, Structures and Magnetic Properties of Chiral 3d-3d'-4f Heterotrimetallic Complexes Based on [(Tp*)Fe(CN)3]-","New J. Chem.","2017","41","13","5988","5994","10.1039/C7NJ01413A","","","0.71073","MoKα","","0.0702","0.0484","","","0.11","0.1179","","","","","","0.945","","","","has coordinates","301442","2025-08-04","07:23:03",""
"7056245","13.585","0.003","16.218","0.003","18.401","0.004","90","","103.848","0.004","90","","3936.3","1.4","296","2","296","2","","","","","","","","9","P 1 21 1","P 2yb","4","","","","- C58 H74 B2 Cl0 Cu Dy Fe2 N21 O10 -","- C58 H74 B2 Cu Dy Fe2 N21 O10 -","- C116 H148 B4 Cu2 Dy2 Fe4 N42 O20 -","2","1","","Deng, Xiao-Wei; Cai, Li-Zheng; Zhu, Zhao-Xia; Gao, Feng; Zhou, Yanling; Yao, Min-Xia","Synthesis, Structures and Magnetic Properties of Chiral 3d-3d'-4f Heterotrimetallic Complexes Based on [(Tp*)Fe(CN)3]-","New J. Chem.","2017","41","13","5988","5994","10.1039/C7NJ01413A","","","0.71073","MoKα","","0.0676","0.045","","","0.0807","0.088","","","","","","0.909","","","","has coordinates","301442","2025-08-04","07:23:05",""
"7056246","9.6859","0.0004","11.0724","0.0004","16.5195","0.0005","85.518","0.001","82.355","0.001","86.301","0.001","1747.91","0.11","150","","150","","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C38 H47 Cl2 N3 Pd -","- C38 H47 Cl2 N3 Pd -","- C76 H94 Cl4 N6 Pd2 -","2","1","","Boubakri, L.; Yasar, S.; Dorcet, V.; Roisnel, T.; Bruneau, C.; Hamdi, N.; Ozdemir, I.","Synthesis and catalytic applications of palladium N-heterocyclic carbene complexes as efficient pre-catalysts for Suzuki–Miyaura and Sonogashira coupling reactions","New J. Chem.","2017","41","12","5105","5113","10.1039/C7NJ00488E","","x-ray","0.71073","MoKα","","0.0356","0.0292","","","0.0774","0.0807","","","","","","1.104","","","","has coordinates","301442","2025-08-04","07:23:21",""
"7056247","10.3979","0.001","19.688","0.002","24.765","0.002","90","","99.512","0.003","90","","5000","0.8","150","","150","","","","","","","","synthesis as described","6","P 1 21/c 1","-P 2ybc","14","","","","- C52 H59 Cl4 N2 P Pd -","- C52 H59 Cl4 N2 P Pd -","- C208 H236 Cl16 N8 P4 Pd4 -","4","1","","Boubakri, L.; Yasar, S.; Dorcet, V.; Roisnel, T.; Bruneau, C.; Hamdi, N.; Ozdemir, I.","Synthesis and catalytic applications of palladium N-heterocyclic carbene complexes as efficient pre-catalysts for Suzuki–Miyaura and Sonogashira coupling reactions","New J. Chem.","2017","41","12","5105","5113","10.1039/C7NJ00488E","","x-ray","0.71073","MoKα","","0.0462","0.037","","","0.0872","0.0952","","","","","","1.041","","","","has coordinates","301442","2025-08-04","07:23:23",""
"7056248","5.588","0.003","7.545","0.004","11.984","0.006","77.113","0.011","88.392","0.013","87.412","0.012","491.9","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H16 N4 O4 -","- C26 H16 N4 O4 -","- C26 H16 N4 O4 -","1","0.5","","Li, Guo-bi; Yang, Qing Yuan; Pan, Rongkai; Liu, Sheng-Gui; xu, yaowei","Supramolecular structural transformation of N, N´-bis(4-pyridylmethyl)-naphthalene diimide and fluorescence water sensing","New J. Chem.","2017","41","14","6160","6166","10.1039/C6NJ04018G","","","0.71073","MoKα","","0.0669","0.0456","","","0.1067","0.1164","","","","","","1.001","","","","has coordinates","301851","2025-08-21","20:32:55",""
"7056249","27.561","0.003","4.6812","0.0002","21.646","0.004","90","","128.914","0.017","90","","2173","0.7","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C26 H16 N4 O6 -","- C26 H20 N4 O6 -","- C104 H80 N16 O24 -","4","0.5","","Li, Guo-bi; Yang, Qing Yuan; Pan, Rongkai; Liu, Sheng-Gui; xu, yaowei","Supramolecular structural transformation of N, N´-bis(4-pyridylmethyl)-naphthalene diimide and fluorescence water sensing","New J. Chem.","2017","41","14","6160","6166","10.1039/C6NJ04018G","","","1.54178","CuKα","","0.0383","0.0366","","","0.1021","0.1045","","","","","","1.04","","","","has coordinates","301442","2025-08-04","07:23:26",""
"7056250","22.76","0.008","4.6927","0.0012","21.335","0.008","90","","115.96","0.05","90","","2048.8","1.5","373","2","373","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C26 H16 N4 O4 -","- C26 H16 N4 O4 -","- C104 H64 N16 O16 -","4","0.5","","Li, Guo-bi; Yang, Qing Yuan; Pan, Rongkai; Liu, Sheng-Gui; xu, yaowei","Supramolecular structural transformation of N, N´-bis(4-pyridylmethyl)-naphthalene diimide and fluorescence water sensing","New J. Chem.","2017","41","14","6160","6166","10.1039/C6NJ04018G","","","1.54178","CuKα","","0.1265","0.0888","","","0.2442","0.2899","","","","","","1.074","","","","has coordinates","301851","2025-08-21","20:32:55",""
"7056251","7.94","0.002","16.998","0.005","8.091","0.002","90","","90.287","0.005","90","","1092","0.5","173.15","","173.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1-(4-hydroxyphenyl)ethan-2-(4-fluorophenyl)-1-one","","- C14 H11 F O2 -","- C14 H11 F O2 -","- C56 H44 F4 O8 -","4","1","","Mei, Qingqing; Liu, Huizhen; Hou, Minqiang; Liu, Hangyu; Han, Buxing","Selective Hydration of Asymmetric Internal Aryl Alkynes without Directing Groups to α-Aryl Ketones over Cu-based catalyst","New J. Chem.","2017","41","14","6290","6295","10.1039/C7NJ00486A","","","0.71073","MoKα","","0.0527","0.0503","","","0.1162","0.1178","","","","","","1.128","","","","has coordinates","301851","2025-08-21","20:32:55",""
"7056252","10.1366","0.0012","10.928","0.0012","12.6758","0.0014","66.265","0.007","87.951","0.007","81.738","0.007","1271.6","0.3","173","","173","","","","","","","","","7","P -1","-P 1","2","","","","- C56 H60 B2 F4 N4 O2 S2 -","- C56 H60 B2 F4 N4 O2 S2 -","- C56 H60 B2 F4 N4 O2 S2 -","1","0.5","","Ozdemir, Mehmet; Choi, Donghee; Zorlu, Yunus; Cosut, Bunyemin; Kim, Hyungsug; Kim, Choongik; Usta, Hakan","A New Rod-Shaped BODIPY-Acetylene Molecule for Solution-Processed Semiconducting Microribbons in N-Channel Organic Field-Effect Transistors","New J. Chem.","2017","41","14","6232","6240","10.1039/C7NJ00266A","","","0.71073","MoKα","","0.16","0.086","","0.2739","0.2139","0.2344","","","","","","0.9462","","","","has coordinates","301442","2025-08-04","07:23:45",""
"7056253","22.71271","0.00079","10.67672","0.0005","7.23916","0.00027","90","","90","","90","","1755.48","0.12","298","2","298","","100","","100","","","","from LASSBio","5","P 21 21 21","P 2ac 2ab","19","LASSBio-1773","(E)-N'-(thiophen-2-ylmethylene)cyclohexanecarbohydrazide","","- C17 H18 N2 O6 S -","- C17 H18 N2 O6 S -","- C68 H72 N8 O24 S4 -","4","1","","Ibiapino, Amanda Laura; de Figueiredo, Laysa Pires; Lima, Lídia Moreira; Barreiro, Eliezer J.; Punzo, Francesco; Ferreira, Fabio Furlan","Structural and physicochemical characterization of sulfonylhydrazone derivatives designed as hypoglycemic agents","New J. Chem.","2017","41","14","6464","6474","10.1039/C7NJ00074J","powder diffraction","x-ray","1.54056","CuKα~1~","","","","","","","","","0.0302","1.604","","","","","","","has coordinates","301851","2025-08-21","20:32:55",""
"7056254","28.9007","0.0011","15.0348","0.0004","9.1482","0.0002","90","","90","","90","","3975","0.2","298","2","298","","100","","100","","","","from LASSBio","5","P b c a","-P 2ac 2ab","61","LASSBio-1774","(E)-N'-(thiophen-2-ylmethylene)cyclohexanecarbohydrazide","","- C18 H22 N2 O7 S -","- C18 H22 N2 O7 S -","- C144 H176 N16 O56 S8 -","8","1","","Ibiapino, Amanda Laura; de Figueiredo, Laysa Pires; Lima, Lídia Moreira; Barreiro, Eliezer J.; Punzo, Francesco; Ferreira, Fabio Furlan","Structural and physicochemical characterization of sulfonylhydrazone derivatives designed as hypoglycemic agents","New J. Chem.","2017","41","14","6464","6474","10.1039/C7NJ00074J","powder diffraction","x-ray","1.54056","CuKα~1~","","","","","","","","","0.01126","0.941","","","","","","","has coordinates","301851","2025-08-21","20:32:55",""
"7056255","12.8322","0.0012","10.9479","0.001","12.991","0.0012","90","","98.115","0.002","90","","1806.8","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H22 Cd N4 O8 -","- C13 H22 Cd N4 O8 -","- C52 H88 Cd4 N16 O32 -","4","1","","Cheng, Meiling; Wang, Qinghua; Bao, Jinting; Wu, Yujuan; Sun, Lin; Yang, Bingxin; Liu, Qi","Synthesis and structural diversity of d10 metal coordination polymers constructed from new semi-rigid bis(3-methyl-1H-pyrazole-4-carboxylic acid)alkane ligands","New J. Chem.","2017","41","12","5151","5160","10.1039/C7NJ00835J","","","0.71073","MoKα","","0.0223","0.0201","","","0.0528","0.054","","","","","","1.04","","","","has coordinates","301442","2025-08-04","07:23:46",""
"7056256","10.076","0.0017","10.2553","0.0018","13.237","0.002","90","","90","","90","","1367.8","0.4","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C11 H14 Cd N4 O6 -","- C11 H14 Cd N4 O6 -","- C44 H56 Cd4 N16 O24 -","4","1","","Cheng, Meiling; Wang, Qinghua; Bao, Jinting; Wu, Yujuan; Sun, Lin; Yang, Bingxin; Liu, Qi","Synthesis and structural diversity of d10 metal coordination polymers constructed from new semi-rigid bis(3-methyl-1H-pyrazole-4-carboxylic acid)alkane ligands","New J. Chem.","2017","41","12","5151","5160","10.1039/C7NJ00835J","","","0.71073","MoKα","","0.0269","0.0211","","","0.0542","0.0556","","","","","","1.09","","","","has coordinates","301442","2025-08-04","07:23:47",""
"7056257","12.946","0.004","4.102","0.0013","24.925","0.006","90","","114.773","0.013","90","","1201.8","0.6","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H12 N4 O4 -","- C11 H12 N4 O4 -","- C44 H48 N16 O16 -","4","1","","Cheng, Meiling; Wang, Qinghua; Bao, Jinting; Wu, Yujuan; Sun, Lin; Yang, Bingxin; Liu, Qi","Synthesis and structural diversity of d10 metal coordination polymers constructed from new semi-rigid bis(3-methyl-1H-pyrazole-4-carboxylic acid)alkane ligands","New J. Chem.","2017","41","12","5151","5160","10.1039/C7NJ00835J","","","0.71073","MoKα","","0.1066","0.0543","","","0.1486","0.1789","","","","","","0.945","","","","has coordinates","301851","2025-08-21","20:32:55",""
"7056258","12.3977","0.0011","12.6699","0.0012","9.4124","0.0009","90","","90","","90","","1478.5","0.2","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C11 H16 N4 O7 Zn -","- C11 H16 N4 O7 Zn -","- C44 H64 N16 O28 Zn4 -","4","0.5","","Cheng, Meiling; Wang, Qinghua; Bao, Jinting; Wu, Yujuan; Sun, Lin; Yang, Bingxin; Liu, Qi","Synthesis and structural diversity of d10 metal coordination polymers constructed from new semi-rigid bis(3-methyl-1H-pyrazole-4-carboxylic acid)alkane ligands","New J. Chem.","2017","41","12","5151","5160","10.1039/C7NJ00835J","","","0.71073","MoKα","","0.0656","0.0548","","","0.1384","0.1446","","","","","","1.104","","","","has coordinates","301442","2025-08-04","07:23:47",""
"7056259","8.577","0.004","9.448","0.005","22.037","0.011","90","","90","","90","","1785.8","1.5","291","2","291","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H19 N5 O6 Zn -","- C14 H19 N5 O6 Zn -","- C56 H76 N20 O24 Zn4 -","4","1","","Cheng, Meiling; Wang, Qinghua; Bao, Jinting; Wu, Yujuan; Sun, Lin; Yang, Bingxin; Liu, Qi","Synthesis and structural diversity of d10 metal coordination polymers constructed from new semi-rigid bis(3-methyl-1H-pyrazole-4-carboxylic acid)alkane ligands","New J. Chem.","2017","41","12","5151","5160","10.1039/C7NJ00835J","","","0.71073","MoKα","","0.0711","0.0609","","","0.1371","0.1404","","","","","","1.092","","","","has coordinates","301442","2025-08-04","07:23:47",""
"7056260","23.952","0.007","4.0594","0.0013","12.531","0.004","90","","90","","90","","1218.4","0.7","296","2","296","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C11 H12 N4 O4 -","- C11 H12 N4 O4 -","- C44 H48 N16 O16 -","4","1","","Cheng, Meiling; Wang, Qinghua; Bao, Jinting; Wu, Yujuan; Sun, Lin; Yang, Bingxin; Liu, Qi","Synthesis and structural diversity of d10 metal coordination polymers constructed from new semi-rigid bis(3-methyl-1H-pyrazole-4-carboxylic acid)alkane ligands","New J. Chem.","2017","41","12","5151","5160","10.1039/C7NJ00835J","","","0.71073","MoKα","","0.0796","0.0538","","","0.1437","0.1609","","","","","","1.063","","","","has coordinates","301851","2025-08-21","20:32:55",""
"7056261","8.5459","0.0004","9.4075","0.0005","21.8986","0.0011","90","","90","","90","","1760.55","0.15","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H19 N5 O6 Zn -","- C14 H19 N5 O6 Zn -","- C56 H76 N20 O24 Zn4 -","4","1","","Cheng, Meiling; Wang, Qinghua; Bao, Jinting; Wu, Yujuan; Sun, Lin; Yang, Bingxin; Liu, Qi","Synthesis and structural diversity of d10 metal coordination polymers constructed from new semi-rigid bis(3-methyl-1H-pyrazole-4-carboxylic acid)alkane ligands","New J. Chem.","2017","41","12","5151","5160","10.1039/C7NJ00835J","","","0.71073","MoKα","","0.0313","0.0277","","","0.0651","0.0662","","","","","","1.06","","","","has coordinates","301442","2025-08-04","07:23:47",""
"7056262","12.259","0.004","8.409","0.003","32.758","0.009","90","","90","","90","","3376.9","1.9","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C15 H20 N4 O4 -","- C15 H20 N4 O4 -","- C120 H160 N32 O32 -","8","1","","Cheng, Meiling; Wang, Qinghua; Bao, Jinting; Wu, Yujuan; Sun, Lin; Yang, Bingxin; Liu, Qi","Synthesis and structural diversity of d10 metal coordination polymers constructed from new semi-rigid bis(3-methyl-1H-pyrazole-4-carboxylic acid)alkane ligands","New J. Chem.","2017","41","12","5151","5160","10.1039/C7NJ00835J","","","0.71073","MoKα","","0.0989","0.0658","","","0.191","0.2112","","","","","","1.066","","","","has coordinates,has disorder","301851","2025-08-21","20:32:55",""
"7056263","20.9999","0.001","15.0842","0.0006","24.1747","0.0013","90","","98.065","0.002","90","","7582","0.6","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C77 H89 Cl3 N8 O4 S4 -","- C77 H89 Cl3 N8 O4 S4 -","- C308 H356 Cl12 N32 O16 S16 -","4","1","","Noamane, Mohamed Habib; FERLAY, Sylvie; Abidi, Rym; Kyritsakas, Nathalie; Hosseini, Mir Wais","Synthesis of para- and meta-imino- or -amino-methyl pyridyl appended p-tert-butyl-calix[4]arene or p-tert-butyl-thiacalix[4]arene in 1,3-Alternate conformation","New J. Chem.","2017","41","14","6334","6339","10.1039/C7NJ01389B","","","0.71073","MoKα","","0.2124","0.0883","","","0.2363","0.3068","","","","","","1.025","","","","has coordinates,has disorder","301442","2025-08-04","07:23:47",""
"7056264","14.021","0.003","15.136","0.003","34.374","0.008","90","","93.023","0.003","90","","7285","3","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C76 H88 N8 O4 S4 -","- C76 H88 N8 O4 S4 -","- C304 H352 N32 O16 S16 -","4","1","","Noamane, Mohamed Habib; FERLAY, Sylvie; Abidi, Rym; Kyritsakas, Nathalie; Hosseini, Mir Wais","Synthesis of para- and meta-imino- or -amino-methyl pyridyl appended p-tert-butyl-calix[4]arene or p-tert-butyl-thiacalix[4]arene in 1,3-Alternate conformation","New J. Chem.","2017","41","14","6334","6339","10.1039/C7NJ01389B","","","0.71073","MoKα","","0.1536","0.109","","","0.2164","0.2415","","","","","","1.014","","","","has coordinates,has disorder","301442","2025-08-04","07:23:49",""
"7056265","20.9892","0.001","14.9268","0.0012","24.0802","0.0018","90","","98.511","0.002","90","","7461.3","0.9","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C81 H97 Cl3 N8 O4 -","- C81 H94 Cl3 N8 O4 -","- C324 H376 Cl12 N32 O16 -","4","1","","Noamane, Mohamed Habib; FERLAY, Sylvie; Abidi, Rym; Kyritsakas, Nathalie; Hosseini, Mir Wais","Synthesis of para- and meta-imino- or -amino-methyl pyridyl appended p-tert-butyl-calix[4]arene or p-tert-butyl-thiacalix[4]arene in 1,3-Alternate conformation","New J. Chem.","2017","41","14","6334","6339","10.1039/C7NJ01389B","","","0.71073","MoKα","","0.1552","0.0861","","","0.2098","0.2474","","","","","","1.027","","","","has coordinates,has disorder","301442","2025-08-04","07:23:49",""
"7056266","15.0334","0.0016","13.939","0.002","36.796","0.006","90","","97.689","0.002","90","","7641.3","1.8","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C76 H96 N8 O4 S4 -","- C76 H93 N8 O4 S4 -","- C304 H372 N32 O16 S16 -","4","1","","Noamane, Mohamed Habib; FERLAY, Sylvie; Abidi, Rym; Kyritsakas, Nathalie; Hosseini, Mir Wais","Synthesis of para- and meta-imino- or -amino-methyl pyridyl appended p-tert-butyl-calix[4]arene or p-tert-butyl-thiacalix[4]arene in 1,3-Alternate conformation","New J. Chem.","2017","41","14","6334","6339","10.1039/C7NJ01389B","","","0.71073","MoKα","","0.2218","0.1068","","","0.2769","0.3205","","","","","","1.092","","","","has coordinates,has disorder","301442","2025-08-04","07:23:51",""
"7056267","11.8534","0.0006","11.8871","0.0003","12.5771","0.0004","90","","104.182","0.004","90","","1718.13","0.12","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H18 Dy N3 O9 -","- C11 H18 Dy N3 O9 -","- C44 H72 Dy4 N12 O36 -","4","1","","Devi, Bandhana; Koner, Rik Rani; Halder, Aditi","Dysprosium based Coordination Polymer and its Application towards Oxygen Reduction Reaction","New J. Chem.","2017","41","16","7972","7979","10.1039/C7NJ00985B","","","0.71073","MoKα","","0.0706","0.0552","","","0.1119","0.1235","","","","","","1.041","","","","has coordinates","301442","2025-08-04","07:23:52",""
"7056268","24.182","0.002","17.718","0.001","17.929","0.001","90","","90","","90","","7681.8","0.9","100","2","100","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C120 H60 Cl4 N2 -","- C120 H60 Cl3.9994 N2 -","- C480 H240 Cl15.9976 N8 -","4","0.5","","Konarev, Dmitri V.; Troyanov, Sergey I.; Otsuka, Akihiro; Yamochi, Hideki; Saito, Gunzi; Lyubovskaya, Rimma N.","Fullerene C60 dianion salt, (Me4N+)2(C602−)·(TPC)2·2C6H4Cl2, where TPC is triptycene, obtained by a multicomponent approach","New J. Chem.","2017","41","12","4779","4782","10.1039/C7NJ01096F","","","0.895","synchrotron","","0.1939","0.1289","","","0.3256","0.36","","","","","","1.013","","","","has coordinates,has disorder","301442","2025-08-04","07:23:53",""
"7056269","18.945","0.011","4.954","0.003","15.2","0.009","90","","90","","90","","1426.6","1.5","296","2","296","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C17 H10 B F2 N3 O -","- C17 H10 B F2 N3 O -","- C68 H40 B4 F8 N12 O4 -","4","1","","Zhang, Hui; Wu, Yanping; Fan, Minhui; Xiao, Xu-Qiong; Mack, John; Kubheka, Gugu; Nyokong, Tebello; Lu, Hua","Aza boron-pyridyl-isoindoline analogues: synthesis and photophysical properties","New J. Chem.","2017","41","13","5802","5807","10.1039/C7NJ00707H","","","0.71073","MoKα","","0.1627","0.0602","","","0.114","0.1568","","","","","","0.988","","","","has coordinates","301851","2025-08-21","20:32:55",""
"7056270","3.88","0.0012","11.779","0.004","19.292","0.006","90","","90.211","0.008","90","","881.7","0.5","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H7 N O2 -","- C12 H7 N O2 -","- C48 H28 N4 O8 -","4","1","","Zhang, Hui; Wu, Yanping; Fan, Minhui; Xiao, Xu-Qiong; Mack, John; Kubheka, Gugu; Nyokong, Tebello; Lu, Hua","Aza boron-pyridyl-isoindoline analogues: synthesis and photophysical properties","New J. Chem.","2017","41","13","5802","5807","10.1039/C7NJ00707H","","","0.71073","MoKα","","0.1023","0.0531","","","0.1285","0.1578","","","","","","0.9","","","","has coordinates","301851","2025-08-21","20:32:55",""
"7056271","14.0062","0.0002","12.6032","0.0002","28.7138","0.0004","90","","90.001","0.001","90","","5068.64","0.13","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- Cs8 In5 Mo24 Na25 O96 -","- Cs8 In5.0024 Mo24 Na25 O96 -","- Cs16 In10.0048 Mo48 Na50 O192 -","2","0.5","","Savina, Aleksandra A.; Solodovnikov, Sergey F.; Belov, Dmitry A.; Solodovnikova, Zoya A.; Stefanovich, Sergey Yu.; Lazoryak, Bogdan I.; Khaikina, Elena G.","New alluaudite-related triple molybdates Na25Cs8R5(MoO4)24 (R = Sc, In): synthesis, crystal structures and properties","New J. Chem.","2017","41","13","5450","5457","10.1039/C7NJ00202E","","","0.71073","MoKα","","0.0387","0.0356","","","0.1067","0.1093","","","","","","1.067","","","","has coordinates","301442","2025-08-04","07:23:54",""
"7056272","14.0069","0.0003","12.6498","0.0003","28.6491","0.0006","90","","90.007","0.001","90","","5076.18","0.19","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- Cs8 Mo24 Na25 O96 Sc5 -","- Cs8 Mo24 Na25 O96 Sc4.9996 -","- Cs16 Mo48 Na50 O192 Sc9.9992 -","2","0.5","","Savina, Aleksandra A.; Solodovnikov, Sergey F.; Belov, Dmitry A.; Solodovnikova, Zoya A.; Stefanovich, Sergey Yu.; Lazoryak, Bogdan I.; Khaikina, Elena G.","New alluaudite-related triple molybdates Na25Cs8R5(MoO4)24 (R = Sc, In): synthesis, crystal structures and properties","New J. Chem.","2017","41","13","5450","5457","10.1039/C7NJ00202E","","","0.71073","MoKα","","0.0362","0.0308","","","0.0688","0.0727","","","","","","1.043","","","","has coordinates","301442","2025-08-04","07:23:54",""
"7056273","9.0536","0.0004","9.0906","0.0004","9.9218","0.0004","88.901","0.0011","88.7726","0.0011","85.6563","0.0011","813.93","0.06","100","","100","","","","","","","","","6","P -1","-P 1","2","","Ru2Cl2(N1N2-dibutanoylhydrazine)(?6-p-cymene)2","","- C30 H50 Cl2 N2 O4 Ru2 -","- C30 H50 Cl2 N2 O4 Ru2 -","- C30 H50 Cl2 N2 O4 Ru2 -","1","0.5","","Nikolić, Stefan; Ćirić, Ivanka; Roller, Alexander; Lukes, Vladimir; Arion, Vladimir; Grguric-Sipka, Sanja","Conversion of hydrazides into N,N'-diacylhydrazines in the presence of ruthenium(II)-arene complex","New J. Chem.","2017","41","14","6857","6865","10.1039/C7NJ00965H","","","0.71073","MoKα","","0.0153","0.0149","","","0.0387","0.039","","","","","","1.058","","","","has coordinates","301442","2025-08-04","07:23:54",""
"7056274","9.916","0.0004","12.3781","0.0005","16.9971","0.0007","76.1322","0.0015","78.331","0.0015","88.3137","0.0016","1983.17","0.14","100","","100","","","","","","","","","6","P -1","-P 1","2","","Ru2Cl2(N1N2-dibutanoylhydrazine)(?6-p-cymene)2","","- C38 H56 Cl4 N2 O2 Ru3 -","- C38 H56 Cl4 N2 O2 Ru3 -","- C76 H112 Cl8 N4 O4 Ru6 -","2","1","","Nikolić, Stefan; Ćirić, Ivanka; Roller, Alexander; Lukes, Vladimir; Arion, Vladimir; Grguric-Sipka, Sanja","Conversion of hydrazides into N,N'-diacylhydrazines in the presence of ruthenium(II)-arene complex","New J. Chem.","2017","41","14","6857","6865","10.1039/C7NJ00965H","","","0.71073","MoKα","","0.0236","0.0206","","","0.0498","0.0513","","","","","","1.057","","","","has coordinates","301442","2025-08-04","07:23:54",""
"7056275","9.6072","0.0005","9.7722","0.0005","17.7727","0.0008","95.264","0.002","90.7653","0.0018","93.16","0.002","1658.71","0.14","100","","100","","","","","","","","","6","P -1","-P 1","2","","Ru2Cl2(N1N2-dipentanoylhydrazine)(?6-p-cymene)2","","- C30 H50 Cl2 N2 O4 Ru2 -","- C30 H50 Cl2 N2 O4 Ru2 -","- C60 H100 Cl4 N4 O8 Ru4 -","2","1","","Nikolić, Stefan; Ćirić, Ivanka; Roller, Alexander; Lukes, Vladimir; Arion, Vladimir; Grguric-Sipka, Sanja","Conversion of hydrazides into N,N'-diacylhydrazines in the presence of ruthenium(II)-arene complex","New J. Chem.","2017","41","14","6857","6865","10.1039/C7NJ00965H","","","0.71073","MoKα","","0.0458","0.0337","","","0.0738","0.0816","","","","","","1.051","","","","has coordinates,has disorder","301442","2025-08-04","07:23:54",""
"7056276","13.8233","0.0006","20.4127","0.0009","12.0459","0.0005","90","","103.277","0.0016","90","","3308.2","0.2","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","[RuCl(propionylhydrazine)(?6-p-cymene)]Cl","","- C13 H22 Cl2 N2 O Ru -","- C13 H22 Cl2 N2 O Ru -","- C104 H176 Cl16 N16 O8 Ru8 -","8","2","","Nikolić, Stefan; Ćirić, Ivanka; Roller, Alexander; Lukes, Vladimir; Arion, Vladimir; Grguric-Sipka, Sanja","Conversion of hydrazides into N,N'-diacylhydrazines in the presence of ruthenium(II)-arene complex","New J. Chem.","2017","41","14","6857","6865","10.1039/C7NJ00965H","","","0.71073","MoKα","","0.0353","0.0298","","","0.0752","0.0782","","","","","","1.061","","","","has coordinates,has disorder","301442","2025-08-04","07:23:54",""
"7056277","17.7907","0.0017","15.739","0.0012","14.548","0.0012","90","","125.091","0.009","90","","3333.1","0.6","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H18 Co N4 O4 -","- C28 H18 Co N4 O4 -","- C112 H72 Co4 N16 O16 -","4","0.5","","Shi, Weiwei; Zhang, Han; Zheng, Xiang-Yu; Lou, Shuaifeng; Hu, Bowen; Yin, GePing; Gao, Yunzhi","Two isomorphous coordination polymers derived metal oxides as high performance anodes for lithium-ion batteries","New J. Chem.","2017","41","14","6187","6194","10.1039/C7NJ00540G","","","0.71073","MoKα","","0.0644","0.047","","","0.1233","0.1317","","","","","","0.977","","","","has coordinates","301442","2025-08-04","07:23:54",""
"7056278","17.998","0.004","13.587","0.003","22.207","0.005","90","","110.746","0.003","90","","5078","2","","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C48 H61 Cl2 Fe N3 O6 -","- C48 H61 Cl2 Fe N3 O6 -","- C192 H244 Cl8 Fe4 N12 O24 -","4","1","","Saha, Sandeepta; Choudhury, Chirantan Roy; Gomez Garcia, Carlos J.; Benmansour, Samia; Garribba, Eugenio; Frontera, Antonio; Rizzoli, Corrado; Mitra, Samiran","Trigonal prismatic anionic iron (III) complex of a radical o-imino-benzo-semiquinonate derivative: Structural and spectral analysis","New J. Chem.","2017","41","15","7283","7291","10.1039/C7NJ01212H","","","","","","0.133","","","","","","","","","","","","","","","has coordinates","301442","2025-08-04","07:23:55",""
"7056279","14.598","0.005","5.208","0.005","6.304","0.005","90","0.005","90","0.005","90","0.005","479.3","0.6","293","2","293","2","","","","","","","","6","P n n m","-P 2 2n","58","","","","- C2 H8 Cd2 N2 O7 V2 -","- C2 H8 Cd2 N2 O7 V2 -","- C4 H16 Cd4 N4 O14 V4 -","2","0.25","","Li, Ning; Zhao, Jian-Guo; Xu, Li; Zhang, Zhong; Huang, Liping; Liu, Yiwei; Lu, Ying; Liu, Shuxia","A 3D cadmium−vanadium bimetallic framework with luminescence properties","New J. Chem.","2017","41","14","6781","6784","10.1039/C7NJ01258F","","","0.71069","MoKα","","0.018","0.018","","","0.0476","0.0476","","","","","","1.295","","","","has coordinates","301442","2025-08-04","07:23:55",""
"7056280","10.173","0.002","10.372","0.002","11.119","0.002","90","","90","","90","","1173.2","0.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C8 H8 Eu N3 O6 -","- C8 H8 Eu N3 O6 -","- C32 H32 Eu4 N12 O24 -","4","1","","Sun, Yan-Qiong; Liu, Qi; Liu, Le-Hui; Ding, Ling; Chen, Yi-Ping","Two 3D nonlinear optical and luminescent Lanthanide-organic frameworks with multidirectional helical intersecting channels","New J. Chem.","2017","41","14","6736","6741","10.1039/C7NJ01081H","","","0.71073","MoKα","","0.0156","0.0149","","","0.034","0.0342","","","","","","0.984","","","","has coordinates","301442","2025-08-04","07:23:55",""
"7056281","10.243","0.002","10.371","0.002","11.131","0.002","90","","90","","90","","1182.4","0.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C8 H8 N3 O6 Sm -","- C8 H8 N3 O6 Sm -","- C32 H32 N12 O24 Sm4 -","4","1","","Sun, Yan-Qiong; Liu, Qi; Liu, Le-Hui; Ding, Ling; Chen, Yi-Ping","Two 3D nonlinear optical and luminescent Lanthanide-organic frameworks with multidirectional helical intersecting channels","New J. Chem.","2017","41","14","6736","6741","10.1039/C7NJ01081H","","","0.71073","MoKα","","0.0131","0.0129","","","0.0289","0.029","","","","","","1.14","","","","has coordinates","301442","2025-08-04","07:23:55",""
"7056282","6.5251","0.0003","11.4616","0.0004","12.7135","0.0005","114.126","0.001","103.656","0.001","90.594","0.001","837.09","0.06","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- B10 Ca3 O23 V2 -","- B10 Ca3 O23 V2 -","- B20 Ca6 O46 V4 -","2","1","","Chen, Zhaohui; Liu, Yaqin; Shi, Yunjing; Zhang, Wenyao; Jing, Qun; Fang, Yuan; Dong, Xiaoyu","M3V2B10O23 (M = Ca, Sr): Two new vanadoborates with new [V2B10O23]∞ double layers","New J. Chem.","2017","41","14","6730","6735","10.1039/C6NJ04069A","","","0.71073","MoKα","","0.0643","0.0561","","","0.1293","0.1361","","","","","","0.925","","","","has coordinates","301442","2025-08-04","07:23:55",""
"7056283","6.639","0.002","11.571","0.004","12.998","0.004","114.333","0.003","103.334","0.003","90.432","0.003","879.3","0.5","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- B10 O23 Sr3 V2 -","- B10 O23 Sr3 V2 -","- B20 O46 Sr6 V4 -","2","1","","Chen, Zhaohui; Liu, Yaqin; Shi, Yunjing; Zhang, Wenyao; Jing, Qun; Fang, Yuan; Dong, Xiaoyu","M3V2B10O23 (M = Ca, Sr): Two new vanadoborates with new [V2B10O23]∞ double layers","New J. Chem.","2017","41","14","6730","6735","10.1039/C6NJ04069A","","","0.71073","MoKα","","0.0722","0.0516","","","0.1245","0.1406","","","","","","1.018","","","","has coordinates","301442","2025-08-04","07:23:55",""
"7056284","8.0718","0.0006","8.2115","0.0007","11.4425","0.0009","76.477","0.003","82.582","0.003","70.713","0.003","694.9","0.1","100","2","100","","","","","","","","","5","P -1","-P 1","2","","","","- C13 H7 F3 N4 O6 -","- C13 H7 F3 N4 O6 -","- C26 H14 F6 N8 O12 -","2","1","","GAUR, PINKI; Bhaskar Yamjala, Kanka Durga; Banerjee, Shaibal","Efficient Synthetic route to Aromatic Secondary Amines via Pd/RuPhos/TBAB Catalyzed Cross Coupling","New J. Chem.","2017","41","14","6523","6529","10.1039/C7NJ01095H","","","0.71073","MoKα","","0.0756","0.0447","","","","0.1423","","","","","","0.9722","","","","has coordinates","301851","2025-08-21","20:32:55",""
"7056285","8.729","0.003","11.511","0.004","11.634","0.004","104.63","0.005","93.584","0.004","95.062","0.005","1122.3","0.7","296.15","","296.15","","","","","","","","","6","P -1","-P 1","2","","","","- C16 H18 Cl In N2 O15 -","- C16 H18 Cl In N2 O15 -","- C32 H36 Cl2 In2 N4 O30 -","2","1","","Zhang, Lijing; Bai, Fengying; Gao, Xue; Du, Ning; Xing, Yong Heng; Sun, Lixian","Multifunctional Indium Complexes with Fluorescent Sensing and Selective Adsorption Dye Properties","New J. Chem.","2017","41","14","6883","6892","10.1039/C7NJ00680B","","","0.71073","MoKα","","0.0192","0.0178","","","0.0457","0.0468","","","","","","1.068","","","","has coordinates","301442","2025-08-04","07:23:56",""
"7056286","11.882","0.006","16.042","0.008","7.377","0.005","90","","90","","90","","1406.1","1.4","293","2","293","2","","","","","","","","6","C m c m","-C 2c 2","63","","","","- C10 H11 Cl4 In N2 O -","- C10 H11 Cl4 In N2 O -","- C40 H44 Cl16 In4 N8 O4 -","4","0.25","","Zhang, Lijing; Bai, Fengying; Gao, Xue; Du, Ning; Xing, Yong Heng; Sun, Lixian","Multifunctional Indium Complexes with Fluorescent Sensing and Selective Adsorption Dye Properties","New J. Chem.","2017","41","14","6883","6892","10.1039/C7NJ00680B","","","0.71073","MoKα","","0.0333","0.0296","","","0.0663","0.0679","","","","","","1.174","","","","has coordinates","301442","2025-08-04","07:23:56",""
"7056287","7.4216","0.0011","20.76","0.003","10.8627","0.0016","90","","91.634","0.002","90","","1673","0.4","296.15","","296.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H15 Cl2 In N O7 -","- C13 H15 Cl2 In N O7 -","- C52 H60 Cl8 In4 N4 O28 -","4","1","","Zhang, Lijing; Bai, Fengying; Gao, Xue; Du, Ning; Xing, Yong Heng; Sun, Lixian","Multifunctional Indium Complexes with Fluorescent Sensing and Selective Adsorption Dye Properties","New J. Chem.","2017","41","14","6883","6892","10.1039/C7NJ00680B","","","0.71073","MoKα","","0.0512","0.0296","","","0.0533","0.0589","","","","","","1.005","","","","has coordinates,has disorder","301442","2025-08-04","07:23:56",""
"7056288","7.3473","0.0009","10.8184","0.0013","20.154","0.002","90","","90","","90","","1602","0.3","296.15","","296.15","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C14 H13 Cl In N O8 -","- C14 H13 Cl In N O8 -","- C56 H52 Cl4 In4 N4 O32 -","4","1","","Zhang, Lijing; Bai, Fengying; Gao, Xue; Du, Ning; Xing, Yong Heng; Sun, Lixian","Multifunctional Indium Complexes with Fluorescent Sensing and Selective Adsorption Dye Properties","New J. Chem.","2017","41","14","6883","6892","10.1039/C7NJ00680B","","","0.71073","MoKα","","0.0757","0.0496","","","0.0916","0.1021","","","","","","1.05","","","","has coordinates","301442","2025-08-04","07:23:56",""
"7056289","9.97961","0.00016","25.3617","0.0006","10.5814","0.0002","90","","94.6162","0.0016","90","","2669.46","0.09","150","","150","","","","","","","","no","7","P 1 21 1","P 2yb","4","no","Salt of tin(IV) dichloride phthalocyanine with cryptand[2,2,1](Na+) cations, dichlorobenzene solvate","","- C54 H52 Cl4 N10 Na O5 Sn -","- C54 H52 Cl4 N10 Na O5 Sn -","- C108 H104 Cl8 N20 Na2 O10 Sn2 -","2","1","","Konarev, Dmitri V.; Faraonov, Maxim A.; Kuz`min, Alexey V.; Khasanov, Salavat S.; Nakano, Yoshiaki; Norko, Semen I.; Otsuka, Akihiro; Yamochi, Hideki; Saito, Gunzi; Lyubovskaya, Rimma N.; Batov, Mikhail S.","Crystalline salts of metal phthalocyanine radical anions [M{Pc(•3-)}](•-) (M = Cu(II), Pb(II), V(IV)O, Sn(IV)Cl2) with cryptand(Na+) cations: structure, optical and magnetic properties","New J. Chem.","2017","41","14","6866","6874","10.1039/C7NJ00530J","","","0.71073","MoKα","","0.0929","0.0806","","","0.2292","0.2445","","","","","","1.072","","","","has coordinates,has disorder","301442","2025-08-04","07:23:56",""
"7056290","10.2257","0.0004","25.3147","0.0011","10.6978","0.0004","90","","96.022","0.003","90","","2753.96","0.19","150","","150","","","","","","","","no","7","P 1 21 1","P 2yb","4","no","Salt of tin(IV) dichloride phthalocyanine with the crytand[2,2,2](Na+) cations, dichlorobenzene solvate","","- C56 H56 Cl4 N10 Na O6 Sn -","- C56 H56 Cl4 N10 Na O6 Sn -","- C112 H112 Cl8 N20 Na2 O12 Sn2 -","2","1","","Konarev, Dmitri V.; Faraonov, Maxim A.; Kuz`min, Alexey V.; Khasanov, Salavat S.; Nakano, Yoshiaki; Norko, Semen I.; Otsuka, Akihiro; Yamochi, Hideki; Saito, Gunzi; Lyubovskaya, Rimma N.; Batov, Mikhail S.","Crystalline salts of metal phthalocyanine radical anions [M{Pc(•3-)}](•-) (M = Cu(II), Pb(II), V(IV)O, Sn(IV)Cl2) with cryptand(Na+) cations: structure, optical and magnetic properties","New J. Chem.","2017","41","14","6866","6874","10.1039/C7NJ00530J","","","0.71073","MoKα","","0.0876","0.0732","","","0.2171","0.2327","","","","","","1.091","","","","has coordinates,has disorder","301442","2025-08-04","07:23:57",""
"7056291","12.7645","0.0001","14.9025","0.0002","27.6673","0.0003","90","","91.874","0.001","90","","5260.14","0.1","120","2","120.15","","","","","","","","no","7","P 1 21/c 1","-P 2ybc","14","no","salt of vanadyl phthalocyanine with the cryptand[2,2,2](Na+) cations, dichlorobenzene solvate","","- C56 H56 Cl2 N10 Na O7 V -","- C56 H56 Cl2 N10 Na O7 V -","- C224 H224 Cl8 N40 Na4 O28 V4 -","4","1","","Konarev, Dmitri V.; Faraonov, Maxim A.; Kuz`min, Alexey V.; Khasanov, Salavat S.; Nakano, Yoshiaki; Norko, Semen I.; Otsuka, Akihiro; Yamochi, Hideki; Saito, Gunzi; Lyubovskaya, Rimma N.; Batov, Mikhail S.","Crystalline salts of metal phthalocyanine radical anions [M{Pc(•3-)}](•-) (M = Cu(II), Pb(II), V(IV)O, Sn(IV)Cl2) with cryptand(Na+) cations: structure, optical and magnetic properties","New J. Chem.","2017","41","14","6866","6874","10.1039/C7NJ00530J","","","0.71073","MoKα","","0.048","0.037","","","0.0896","0.0956","","","","","","1.022","","","","has coordinates","301851","2025-08-21","20:32:55",""
"7056292","12.5241","0.0008","12.6333","0.001","19.1273","0.001","81.244","0.005","72.634","0.005","64.528","0.007","2606.6","0.3","120","2","120","2","","","","","","","no","7","P -1","-P 1","2","no","copper phthalocyanine salt with cryptand[2,2,2] sodium cations, dichlorobenzene solvate","","- C56 H56 Cl2 Cu N10 Na O6 -","- C56 H56 Cl2 Cu N10 Na O6 -","- C112 H112 Cl4 Cu2 N20 Na2 O12 -","2","1","","Konarev, Dmitri V.; Faraonov, Maxim A.; Kuz`min, Alexey V.; Khasanov, Salavat S.; Nakano, Yoshiaki; Norko, Semen I.; Otsuka, Akihiro; Yamochi, Hideki; Saito, Gunzi; Lyubovskaya, Rimma N.; Batov, Mikhail S.","Crystalline salts of metal phthalocyanine radical anions [M{Pc(•3-)}](•-) (M = Cu(II), Pb(II), V(IV)O, Sn(IV)Cl2) with cryptand(Na+) cations: structure, optical and magnetic properties","New J. Chem.","2017","41","14","6866","6874","10.1039/C7NJ00530J","","x-ray","0.71073","MoKα","","0.1077","0.057","","","0.088","0.1048","","","","","","1.021","","","","has coordinates","301442","2025-08-04","07:23:57",""
"7056293","12.73638","0.00018","30.5287","0.0004","14.2894","0.0002","90","","109.232","0.0016","90","","5246","0.13","150","0.14","150","0.14","","","","","","","no","7","P 1 21/c 1","-P 2ybc","14","no","lead phthalocyanine salt with cryptand[2,2,2] sodium cations, dichlorobenzene solvate","","- C56 H56 Cl2 N10 Na O6 Pb -","- C56.0018 H56.0036 Cl2 N10.0002 Na1.0001 O6.0006 Pb -","- C224.007 H224.014 Cl8 N40.0008 Na4.0004 O24.0024 Pb4 -","4","1","","Konarev, Dmitri V.; Faraonov, Maxim A.; Kuz`min, Alexey V.; Khasanov, Salavat S.; Nakano, Yoshiaki; Norko, Semen I.; Otsuka, Akihiro; Yamochi, Hideki; Saito, Gunzi; Lyubovskaya, Rimma N.; Batov, Mikhail S.","Crystalline salts of metal phthalocyanine radical anions [M{Pc(•3-)}](•-) (M = Cu(II), Pb(II), V(IV)O, Sn(IV)Cl2) with cryptand(Na+) cations: structure, optical and magnetic properties","New J. Chem.","2017","41","14","6866","6874","10.1039/C7NJ00530J","","x-ray","0.71073","MoKα","","0.0253","0.0217","","","0.0504","0.0522","","","","","","1.031","","","","has coordinates,has disorder","301442","2025-08-04","07:23:57",""
"7056294","9.9052","0.0002","8.351","0.0001","25.7006","0.0005","90","","100.503","0.002","90","","2090.29","0.07","293","2","293","2","","","","","","","synthesis as described","6","P 1 2/n 1","-P 2yac","13","","","","- C19 H12 Cl3 Mn N2 O8 -","- C19 H12 Cl3 Mn N2 O8 -","- C76 H48 Cl12 Mn4 N8 O32 -","4","1","","Androš Dubraja, Lidija; Molcanov, Kresimir; Žilić, Dijana; Kojic-Prodic, Biserka; Wenger, Emmanuel","Multifunctionality and size of the chloranilate ligand define the topology of transition metal coordination polymers","New J. Chem.","2017","41","14","6785","6794","10.1039/C7NJ01058C","","x-ray","1.54184","CuKα","","0.0489","0.0455","","","0.1251","0.1277","","","","","","1.065","","","","has coordinates","301442","2025-08-04","07:23:57",""
"7056295","12.3913","0.0003","15.4738","0.0003","16.4123","0.0002","90","","112.604","0.002","90","","2905.17","0.11","293","2","293","2","","","","","","","synthesis as described","6","C 1 2/c 1","-C 2yc","15","","","","- C32 H22 Cl2 N4 Ni O5 -","- C32 H22 Cl2 N4 Ni O5 -","- C128 H88 Cl8 N16 Ni4 O20 -","4","0.5","","Androš Dubraja, Lidija; Molcanov, Kresimir; Žilić, Dijana; Kojic-Prodic, Biserka; Wenger, Emmanuel","Multifunctionality and size of the chloranilate ligand define the topology of transition metal coordination polymers","New J. Chem.","2017","41","14","6785","6794","10.1039/C7NJ01058C","","x-ray","1.54179","CuKα","","0.0425","0.0396","","","0.1145","0.1177","","","","","","1.064","","","","has coordinates","301442","2025-08-04","07:23:57",""
"7056296","9.1303","0.0002","14.5345","0.0004","16.2519","0.0004","111.927","0.002","101.346","0.002","91.831","0.002","1948.36","0.09","293","2","293","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C36 H30 Cl4 N6 Ni2 O4 -","- C36 H30 Cl4 N6 Ni2 O4 -","- C72 H60 Cl8 N12 Ni4 O8 -","2","1","","Androš Dubraja, Lidija; Molcanov, Kresimir; Žilić, Dijana; Kojic-Prodic, Biserka; Wenger, Emmanuel","Multifunctionality and size of the chloranilate ligand define the topology of transition metal coordination polymers","New J. Chem.","2017","41","14","6785","6794","10.1039/C7NJ01058C","","x-ray","1.54179","CuKα","","0.038","0.0326","","","0.0845","0.0886","","","","","","1.029","","","","has coordinates","301442","2025-08-04","07:23:57",""
"7056297","9.9429","0.0005","13.0412","0.0008","13.3013","0.0007","101.807","0.005","109.788","0.005","110.194","0.005","1418.63","0.18","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H21 Cl2 N5 Ni O5 -","- C28 H21 Cl2 N5 Ni O5 -","- C56 H42 Cl4 N10 Ni2 O10 -","2","1","","Androš Dubraja, Lidija; Molcanov, Kresimir; Žilić, Dijana; Kojic-Prodic, Biserka; Wenger, Emmanuel","Multifunctionality and size of the chloranilate ligand define the topology of transition metal coordination polymers","New J. Chem.","2017","41","14","6785","6794","10.1039/C7NJ01058C","","","1.54179","CuKα","","0.0588","0.0558","","","","0.1667","","","","","","1.05","","","","has coordinates","301851","2025-08-21","20:32:55",""
"7056298","9.2556","0.0003","14.8268","0.0006","16.1754","0.0006","111.483","0.004","100.81","0.003","92.223","0.003","2014.82","0.14","293","2","293","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C36 H30 Cl4 Mn2 N6 O4 -","- C36 H30 Cl4 Mn2 N6 O4 -","- C72 H60 Cl8 Mn4 N12 O8 -","2","1","","Androš Dubraja, Lidija; Molcanov, Kresimir; Žilić, Dijana; Kojic-Prodic, Biserka; Wenger, Emmanuel","Multifunctionality and size of the chloranilate ligand define the topology of transition metal coordination polymers","New J. Chem.","2017","41","14","6785","6794","10.1039/C7NJ01058C","","x-ray","1.54179","CuKα","","0.0395","0.0328","","","0.083","0.0878","","","","","","1.055","","","","has coordinates","301442","2025-08-04","07:23:57",""
"7056299","14.2239","0.0004","14.4704","0.0004","20.2197","0.0006","90","","103.441","0.003","90","","4047.7","0.2","293","2","293","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C38 H22 Cl4 Mn2 N4 O9 -","- C38 H22 Cl4 Mn2 N4 O9 -","- C152 H88 Cl16 Mn8 N16 O36 -","4","0.5","","Androš Dubraja, Lidija; Molcanov, Kresimir; Žilić, Dijana; Kojic-Prodic, Biserka; Wenger, Emmanuel","Multifunctionality and size of the chloranilate ligand define the topology of transition metal coordination polymers","New J. Chem.","2017","41","14","6785","6794","10.1039/C7NJ01058C","","","1.54184","CuKα","","0.064","0.0551","","","","0.1739","","","","","","1.021","","","","has coordinates","301442","2025-08-04","07:23:57",""
"7056300","12.1676","0.0014","20.804","0.002","8.437","0.002","90","","98.687","0.002","90","","2111.2","0.6","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C18.81 H16.42 Cl2 Co N2 O5 -","- C18.806 H16.418 Cl2 Co N2 O5 -","- C75.224 H65.672 Cl8 Co4 N8 O20 -","4","0.5","","Androš Dubraja, Lidija; Molcanov, Kresimir; Žilić, Dijana; Kojic-Prodic, Biserka; Wenger, Emmanuel","Multifunctionality and size of the chloranilate ligand define the topology of transition metal coordination polymers","New J. Chem.","2017","41","14","6785","6794","10.1039/C7NJ01058C","","","0.71073","MoKα","","0.0598","0.0437","","","","0.13","","","","","","0.874","","","","has coordinates,has disorder","301442","2025-08-04","07:23:57",""
"7056301","11.2439","0.0005","11.9828","0.0004","12.2375","0.0005","67.691","0.004","71.274","0.004","82.655","0.003","1444.61","0.11","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C61 H36 Cl6 Cr2 N10 O14 -","- C61 H36 Cl6 Cr2 N10 O14 -","- C61 H36 Cl6 Cr2 N10 O14 -","1","0.5","","Androš Dubraja, Lidija; Molcanov, Kresimir; Žilić, Dijana; Kojic-Prodic, Biserka; Wenger, Emmanuel","Multifunctionality and size of the chloranilate ligand define the topology of transition metal coordination polymers","New J. Chem.","2017","41","14","6785","6794","10.1039/C7NJ01058C","","","1.54179","CuKα","","0.054","0.0517","","","","0.1473","","","","","","1.058","","","","has coordinates","301442","2025-08-04","07:23:57",""
"7056302","13.9521","0.0008","10.5005","0.0005","14.1217","0.0008","90","","117.346","0.003","90","","1837.69","0.18","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H13 Cl N4 -","- C23 H13 Cl N4 -","- C92 H52 Cl4 N16 -","4","2","","Giardinetti, Maxime; Marrot, Jérome; Coeffard, Vincent; Moreau, Xavier; Greck, Christine","Synthesis and Fluorosolvatochromic Properties of 1,7-Annulated Indoles","New J. Chem.","2017","41","15","7331","7338","10.1039/C7NJ00365J","","","0.71073","MoKα","","0.0797","0.053","","","0.1221","0.1402","","","","","","1.113","","","","has coordinates","301851","2025-08-21","20:32:55",""
"7056303","19.6402","0.0013","8.4523","0.0005","21.958","0.003","90","","93.816","0.01","90","","3637.1","0.6","93","2","93","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C30 H44 Mn2 N6 O16 -","- C30 H44 Mn2 N6 O16 -","- C120 H176 Mn8 N24 O64 -","4","0.5","","Shopov, Dimitar Yavorov; Sharninghausen, Liam; Sinha, Shashi Bhushan; Borowski, Julia; Mercado, Brandon; Brudvig, Gary; Crabtree, Robert H.","Synthesis of Pyridine-Alkoxide Ligands for Formation of Polynuclear Complexes","New J. Chem.","2017","41","14","6709","6719","10.1039/C7NJ01845B","","","0.71075","MoKα","","0.089","0.0625","","","0.0844","0.0916","","","","","","1.069","","","","has coordinates","301851","2025-08-21","20:32:55",""
"7056304","20.2718","0.0014","14.4091","0.001","24.8638","0.0017","90","","90","","90","","7262.7","0.9","93","2","93","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C66 H74 Cl4 F12 Mn4 N8 O12 P2 -","- C66 H74 Cl4 F12 Mn4 N8 O12 P2 -","- C264 H296 Cl16 F48 Mn16 N32 O48 P8 -","4","0.5","","Shopov, Dimitar Yavorov; Sharninghausen, Liam; Sinha, Shashi Bhushan; Borowski, Julia; Mercado, Brandon; Brudvig, Gary; Crabtree, Robert H.","Synthesis of Pyridine-Alkoxide Ligands for Formation of Polynuclear Complexes","New J. Chem.","2017","41","14","6709","6719","10.1039/C7NJ01845B","","","0.71073","MoKα","","0.1098","0.0577","","","0.1252","0.1513","","","","","","1.032","","","","has coordinates,has disorder","301851","2025-08-21","20:32:55",""
"7056305","8.325","0.0001","10.8767","0.0001","8.5879","0.0006","90","","110.364","0.008","90","","729.02","0.06","93","2","93","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H20 N2 O3 -","- C15 H20 N2 O3 -","- C30 H40 N4 O6 -","2","1","","Shopov, Dimitar Yavorov; Sharninghausen, Liam; Sinha, Shashi Bhushan; Borowski, Julia; Mercado, Brandon; Brudvig, Gary; Crabtree, Robert H.","Synthesis of Pyridine-Alkoxide Ligands for Formation of Polynuclear Complexes","New J. Chem.","2017","41","14","6709","6719","10.1039/C7NJ01845B","","","1.54187","CuKα","","0.0276","0.0263","","","0.0616","0.0623","","","","","","1.057","","","","has coordinates","301851","2025-08-21","20:32:55",""
"7056306","9.7305","0.0007","20.371","0.0014","15.4532","0.0011","90","","90","","90","","3063.1","0.4","93","2","93","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C30 H32 Cu2 N4 O4 -","- C30 H32 Cu2 N4 O4 -","- C120 H128 Cu8 N16 O16 -","4","0.5","","Shopov, Dimitar Yavorov; Sharninghausen, Liam; Sinha, Shashi Bhushan; Borowski, Julia; Mercado, Brandon; Brudvig, Gary; Crabtree, Robert H.","Synthesis of Pyridine-Alkoxide Ligands for Formation of Polynuclear Complexes","New J. Chem.","2017","41","14","6709","6719","10.1039/C7NJ01845B","","","1.54178","CuKα","","0.0222","0.0216","","","0.0594","0.0597","","","","","","1.048","","","","has coordinates","301442","2025-08-04","07:23:57",""
"7056307","8.267","0.004","14.974","0.008","12.165","0.006","90","","91.544","0.012","90","","1505.4","1.3","223","2","223","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C31 H36 Co2 N4 O9 -","- C31 H36 Co2 N4 O9 -","- C62 H72 Co4 N8 O18 -","2","1","","Shopov, Dimitar Yavorov; Sharninghausen, Liam; Sinha, Shashi Bhushan; Borowski, Julia; Mercado, Brandon; Brudvig, Gary; Crabtree, Robert H.","Synthesis of Pyridine-Alkoxide Ligands for Formation of Polynuclear Complexes","New J. Chem.","2017","41","14","6709","6719","10.1039/C7NJ01845B","","","0.71075","MoKα","","0.0554","0.045","","","0.0778","0.081","","","","","","1.052","","","","has coordinates","301851","2025-08-21","20:32:55",""
"7056308","8.3252","0.0003","14.6827","0.0005","11.7096","0.0008","90","","105.716","0.007","90","","1377.83","0.13","93","2","93","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H34 Cu N4 O4 -","- C30 H34 Cu N4 O4 -","- C60 H68 Cu2 N8 O8 -","2","0.5","","Shopov, Dimitar Yavorov; Sharninghausen, Liam; Sinha, Shashi Bhushan; Borowski, Julia; Mercado, Brandon; Brudvig, Gary; Crabtree, Robert H.","Synthesis of Pyridine-Alkoxide Ligands for Formation of Polynuclear Complexes","New J. Chem.","2017","41","14","6709","6719","10.1039/C7NJ01845B","","","0.71075","MoKα","","0.0355","0.0323","","","0.0789","0.0805","","","","","","1.098","","","","has coordinates","301851","2025-08-21","20:32:55",""
"7056309","14.868","0.0004","16.1416","0.0004","16.3814","0.0005","90","","95.451","0.003","90","","3913.65","0.19","93","2","93","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C36 H47 Cl4 N4 Ni2 O8 -","- C36 H47 Cl4 N4 Ni2 O8 -","- C144 H188 Cl16 N16 Ni8 O32 -","4","0.5","","Shopov, Dimitar Yavorov; Sharninghausen, Liam; Sinha, Shashi Bhushan; Borowski, Julia; Mercado, Brandon; Brudvig, Gary; Crabtree, Robert H.","Synthesis of Pyridine-Alkoxide Ligands for Formation of Polynuclear Complexes","New J. Chem.","2017","41","14","6709","6719","10.1039/C7NJ01845B","","","0.71073","MoKα","","0.0461","0.0332","","","0.0756","0.081","","","","","","1.059","","","","has coordinates,has disorder","301442","2025-08-04","07:23:57",""
"7056310","8.3214","0.0005","14.6642","0.0009","11.6946","0.0008","90","","105.64","0.007","90","","1374.22","0.16","93","2","93","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H34 N4 Ni O4 -","- C30 H34 N4 Ni O4 -","- C60 H68 N8 Ni2 O8 -","2","0.5","","Shopov, Dimitar Yavorov; Sharninghausen, Liam; Sinha, Shashi Bhushan; Borowski, Julia; Mercado, Brandon; Brudvig, Gary; Crabtree, Robert H.","Synthesis of Pyridine-Alkoxide Ligands for Formation of Polynuclear Complexes","New J. Chem.","2017","41","14","6709","6719","10.1039/C7NJ01845B","","","0.71075","MoKα","","0.0386","0.0339","","","0.0691","0.071","","","","","","1.135","","","","has coordinates","301851","2025-08-21","20:32:55",""
"7056311","33.988","0.002","22.4348","0.0004","25.8057","0.0004","90","","90","","90","","19677.2","1.2","93","2","93","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C45 H46 Cl4 Mn3 N6 O6 -","- C45 H46 Cl4 Mn3 N6 O6 -","- C720 H736 Cl64 Mn48 N96 O96 -","16","1","","Shopov, Dimitar Yavorov; Sharninghausen, Liam; Sinha, Shashi Bhushan; Borowski, Julia; Mercado, Brandon; Brudvig, Gary; Crabtree, Robert H.","Synthesis of Pyridine-Alkoxide Ligands for Formation of Polynuclear Complexes","New J. Chem.","2017","41","14","6709","6719","10.1039/C7NJ01845B","","","1.54187","CuKα","","0.0529","0.0515","","","0.1372","0.1391","","","","","","1.064","","","","has coordinates","301442","2025-08-04","07:23:57",""
"7056312","8.7376","0.0014","12.3604","0.0019","9.2476","0.0014","90","","108.002","0.008","90","","949.9","0.3","93","2","93","2","","","","","","","","4","P 1 n 1","P -2yac","7","","","","- C22 H25 N3 O3 -","- C22 H25 N3 O3 -","- C44 H50 N6 O6 -","2","1","","Shopov, Dimitar Yavorov; Sharninghausen, Liam; Sinha, Shashi Bhushan; Borowski, Julia; Mercado, Brandon; Brudvig, Gary; Crabtree, Robert H.","Synthesis of Pyridine-Alkoxide Ligands for Formation of Polynuclear Complexes","New J. Chem.","2017","41","14","6709","6719","10.1039/C7NJ01845B","","","0.71075","MoKα","","0.1102","0.098","","","0.2348","0.2438","","","","","","1.094","","","","has coordinates","301851","2025-08-21","20:32:55",""
"7056313","9.7831","0.0007","9.0271","0.0006","16.4023","0.0012","90","","103.691","0.007","90","","1407.38","0.18","93","2","93","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H20 N2 O3 -","- C15 H20 N2 O3 -","- C60 H80 N8 O12 -","4","1","","Shopov, Dimitar Yavorov; Sharninghausen, Liam; Sinha, Shashi Bhushan; Borowski, Julia; Mercado, Brandon; Brudvig, Gary; Crabtree, Robert H.","Synthesis of Pyridine-Alkoxide Ligands for Formation of Polynuclear Complexes","New J. Chem.","2017","41","14","6709","6719","10.1039/C7NJ01845B","","","0.71075","MoKα","","0.0774","0.054","","","0.1089","0.117","","","","","","1.06","","","","has coordinates","301851","2025-08-21","20:32:55",""
"7056314","8.4079","0.0002","12.0756","0.0002","19.9987","0.0014","90","","93.505","0.007","90","","2026.68","0.15","93","2","93","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C44 H44 Co2 N6 O6 -","- C44 H44 Co2 N6 O6 -","- C88 H88 Co4 N12 O12 -","2","0.5","","Shopov, Dimitar Yavorov; Sharninghausen, Liam; Sinha, Shashi Bhushan; Borowski, Julia; Mercado, Brandon; Brudvig, Gary; Crabtree, Robert H.","Synthesis of Pyridine-Alkoxide Ligands for Formation of Polynuclear Complexes","New J. Chem.","2017","41","14","6709","6719","10.1039/C7NJ01845B","","","1.54187","CuKα","","0.1063","0.0793","","","0.2055","0.2592","","","","","","1.092","","","","has coordinates","301851","2025-08-21","20:32:55",""
"7056315","32.9393","0.0014","32.2445","0.0014","15.9331","0.0011","90","","94.087","0.007","90","","16879.7","1.6","93","2","93","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C77 H62 B F24 Mn3 N6 O8 -","- C77 H62 B F24 Mn3 N6 O8 -","- C616 H496 B8 F192 Mn24 N48 O64 -","8","1","","Shopov, Dimitar Yavorov; Sharninghausen, Liam; Sinha, Shashi Bhushan; Borowski, Julia; Mercado, Brandon; Brudvig, Gary; Crabtree, Robert H.","Synthesis of Pyridine-Alkoxide Ligands for Formation of Polynuclear Complexes","New J. Chem.","2017","41","14","6709","6719","10.1039/C7NJ01845B","","","0.71075","MoKα","","0.1284","0.0951","","","0.1716","0.1843","","","","","","1.168","","","","has coordinates,has disorder","301851","2025-08-21","20:32:55",""
"7056316","13.1202","0.0009","13.8904","0.0002","10.9592","0.0001","90","","104.628","0.007","90","","1932.52","0.15","93","2","93","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Tripyalk1","","","- C22 H25 N3 O3 -","- C22 H25 N3 O3 -","- C88 H100 N12 O12 -","4","1","","Shopov, Dimitar Yavorov; Sharninghausen, Liam; Sinha, Shashi Bhushan; Borowski, Julia; Mercado, Brandon; Brudvig, Gary; Crabtree, Robert H.","Synthesis of Pyridine-Alkoxide Ligands for Formation of Polynuclear Complexes","New J. Chem.","2017","41","14","6709","6719","10.1039/C7NJ01845B","","","1.54187","CuKα","","0.0514","0.0422","","","0.0971","0.1026","","","","","","1.094","","","","has coordinates","301851","2025-08-21","20:32:55",""
"7056317","16.9892","0.0006","13.5833","0.0005","33.108","0.002","90","","90.462","0.006","90","","7640.1","0.6","93","2","93","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C61 H64 Mn4 N8 O11 -","- C61 H64 Mn4 N8 O11 -","- C244 H256 Mn16 N32 O44 -","4","0.5","","Shopov, Dimitar Yavorov; Sharninghausen, Liam; Sinha, Shashi Bhushan; Borowski, Julia; Mercado, Brandon; Brudvig, Gary; Crabtree, Robert H.","Synthesis of Pyridine-Alkoxide Ligands for Formation of Polynuclear Complexes","New J. Chem.","2017","41","14","6709","6719","10.1039/C7NJ01845B","","","0.71075","MoKα","","0.1713","0.1347","","","0.2513","0.2724","","","","","","1.089","","","","has coordinates","301851","2025-08-21","20:32:55",""
"7056318","10.1205","0.0006","12.7849","0.0008","11.5863","0.0008","90","","96.938","0.007","90","","1488.17","0.17","93","2","93","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H40 Cu2 N4 O8 -","- C30 H40 Cu2 N4 O8 -","- C60 H80 Cu4 N8 O16 -","2","0.5","","Shopov, Dimitar Yavorov; Sharninghausen, Liam; Sinha, Shashi Bhushan; Borowski, Julia; Mercado, Brandon; Brudvig, Gary; Crabtree, Robert H.","Synthesis of Pyridine-Alkoxide Ligands for Formation of Polynuclear Complexes","New J. Chem.","2017","41","14","6709","6719","10.1039/C7NJ01845B","","","0.71075","MoKα","","0.0389","0.0352","","","0.0914","0.0932","","","","","","1.164","","","","has coordinates","301851","2025-08-21","20:32:55",""
"7056319","10.8407","0.0001","15.3854","0.0002","24.009","0.0016","90","","90","","90","","4004.4","0.3","93","2","93","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C22 H27 N3 O4 -","- C22 H27 N3 O4 -","- C176 H216 N24 O32 -","8","1","","Shopov, Dimitar Yavorov; Sharninghausen, Liam; Sinha, Shashi Bhushan; Borowski, Julia; Mercado, Brandon; Brudvig, Gary; Crabtree, Robert H.","Synthesis of Pyridine-Alkoxide Ligands for Formation of Polynuclear Complexes","New J. Chem.","2017","41","14","6709","6719","10.1039/C7NJ01845B","","","1.54187","CuKα","","0.0771","0.0673","","","0.1974","0.2094","","","","","","1.117","","","","has coordinates","301851","2025-08-21","20:32:55",""
"7056320","19.8078","0.0006","15.0917","0.0004","29.829","0.002","90","","96.066","0.007","90","","8867","0.7","93","2","93","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C45 H46 Cl2 Mn2 N6 O6 -","- C45 H46 Cl2 Mn2 N6 O6 -","- C360 H368 Cl16 Mn16 N48 O48 -","8","2","","Shopov, Dimitar Yavorov; Sharninghausen, Liam; Sinha, Shashi Bhushan; Borowski, Julia; Mercado, Brandon; Brudvig, Gary; Crabtree, Robert H.","Synthesis of Pyridine-Alkoxide Ligands for Formation of Polynuclear Complexes","New J. Chem.","2017","41","14","6709","6719","10.1039/C7NJ01845B","","","0.71075","MoKα","","0.1011","0.052","","","0.1054","0.1322","","","","","","1.055","","","","has coordinates","301851","2025-08-21","20:32:55",""
"7056321","23.175","0.004","9.9645","0.0011","16.245","0.002","90","","107.625","0.018","90","","3575.3","0.9","294.1","0.3","294.1","0.3","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C22 H15 N5 O -","- C22 H15 N5 O -","- C176 H120 N40 O8 -","8","1","","Dam, Binoyargha; Patil, Ranjit A.; Ma, Yuan-Ron; Pal, Amarta Kumar","Preparation, characterization and catalytic application of nano-Fe3O4-DOPA-SnO2 having high TON and TOF for non-toxic and sustainable synthesis of dihydroquinazolinone derivatives","New J. Chem.","2017","41","14","6553","6563","10.1039/C7NJ01208J","","","0.71073","MoKα","","0.0958","0.0552","","","0.1072","0.1284","","","","","","1.0743","","","","has coordinates","301851","2025-08-21","20:32:55",""
"7056322","14.3966","0.0017","6.8726","0.0005","17.724","0.002","90","","113.844","0.015","90","","1604","0.3","293.25","0.1","293.25","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H16 N2 O2 -","- C19 H16 N2 O2 -","- C76 H64 N8 O8 -","4","1","","Dam, Binoyargha; Patil, Ranjit A.; Ma, Yuan-Ron; Pal, Amarta Kumar","Preparation, characterization and catalytic application of nano-Fe3O4-DOPA-SnO2 having high TON and TOF for non-toxic and sustainable synthesis of dihydroquinazolinone derivatives","New J. Chem.","2017","41","14","6553","6563","10.1039/C7NJ01208J","","","0.7107","MoKα","","0.101843","0.071879","","","","0.156951","","","","","","1.07444","","","","has coordinates","301851","2025-08-21","20:32:55",""
"7056323","13.027","0.002","8.884","0.0012","11.4246","0.0017","90","","109.209","0.018","90","","1248.6","0.3","289.84","0.17","289.84","0.17","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H14 N2 O -","- C15 H14 N2 O -","- C60 H56 N8 O4 -","4","1","","Dam, Binoyargha; Patil, Ranjit A.; Ma, Yuan-Ron; Pal, Amarta Kumar","Preparation, characterization and catalytic application of nano-Fe3O4-DOPA-SnO2 having high TON and TOF for non-toxic and sustainable synthesis of dihydroquinazolinone derivatives","New J. Chem.","2017","41","14","6553","6563","10.1039/C7NJ01208J","","","0.7107","MoKα","","0.075829","0.052442","","","","0.153069","","","","","","1.06218","","","","has coordinates","301851","2025-08-21","20:32:55",""
"7056324","7.007","0.0004","17.952","0.002","26.4727","0.0017","90","","90","","90","","3330","0.5","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C19 H19 N3 O -","- C19 H19 N3 O -","- C152 H152 N24 O8 -","8","1","","Kumar, Akshay; Trivedi, Manoj; Yadav, Bhaskaran; Sharma, Raj Kishore; Singh, Gurmeet","Synthetic, Spectral and Structural Studies of a Schiff Base and its Anticorrosive Activity on Mild Steel in H2SO4","New J. Chem.","2017","41","16","8459","8468","10.1039/C7NJ00896A","","","0.71073","MoKα","","0.12","0.0671","","","0.1339","0.1694","","","","","","0.7","","","","has coordinates","301851","2025-08-21","20:32:55",""
"7056325","8.8015","0.0015","10.0257","0.0017","13.876","0.002","74.233","0.003","83.559","0.003","64.292","0.003","1061.7","0.3","150","2","150.15","","","","","","","","","5","P -1","-P 1","2","","","","- C20 H14 N10 Ni O5 -","- C20 H14 N10 Ni O5 -","- C40 H28 N20 Ni2 O10 -","2","1","","Rabelo, Renato; Valdo, Ana Karoline Silva Medanha; Robertson, Craig C.; Thomas, Jim; Stumpf, Humberto Osório; Martins, Felipe Terra; Pedroso, Emerson F.; Julve, Miguel; Lloret, Francesc; Cangussu, Danielle","Metal(II)-assisted hydrolysis of 2,4,6-tris(2-pyrimidyl)-1,3,5-triazine (tpymt): synthesis, crystal structure and magnetic properties of [Co(bpcam)2]ClO4 . dmso . H2O, [Co(bpcam)2]2[Co(NCS)4] . dmso . H2O and [Ni(bpcam)2] . H2O [Hbpcam = bis(2-pyrimidylcarbonyl)amide]","New J. Chem.","2017","41","14","6911","6921","10.1039/C7NJ00526A","","","0.71073","MoKα","","0.0805","0.0535","","","0.1309","0.1478","","","","","","1.015","","","","has coordinates","301442","2025-08-04","07:23:58",""
"7056326","10.1227","0.0002","22.0252","0.0006","12.4721","0.0003","90","","94.198","0.001","90","","2773.25","0.11","296","2","296","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C22 H20 Cl Co N10 O10 S -","- C22 H20 Cl Co N10 O10 S -","- C88 H80 Cl4 Co4 N40 O40 S4 -","4","1","","Rabelo, Renato; Valdo, Ana Karoline Silva Medanha; Robertson, Craig C.; Thomas, Jim; Stumpf, Humberto Osório; Martins, Felipe Terra; Pedroso, Emerson F.; Julve, Miguel; Lloret, Francesc; Cangussu, Danielle","Metal(II)-assisted hydrolysis of 2,4,6-tris(2-pyrimidyl)-1,3,5-triazine (tpymt): synthesis, crystal structure and magnetic properties of [Co(bpcam)2]ClO4 . dmso . H2O, [Co(bpcam)2]2[Co(NCS)4] . dmso . H2O and [Ni(bpcam)2] . H2O [Hbpcam = bis(2-pyrimidylcarbonyl)amide]","New J. Chem.","2017","41","14","6911","6921","10.1039/C7NJ00526A","","","0.71073","MoKα","","0.0529","0.0415","","","0.1042","0.1117","","","","","","1.037","","","","has coordinates,has disorder","301442","2025-08-04","07:23:58",""
"7056327","19.5807","0.0005","24.4918","0.0006","14.4619","0.0004","90","","117.886","0.001","90","","6130.1","0.3","293","2","293","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C92 H61 Co6 N48 O20 S10 -","- C92 H61 Co6 N48 O20 S10 -","- C184 H122 Co12 N96 O40 S20 -","2","0.5","","Rabelo, Renato; Valdo, Ana Karoline Silva Medanha; Robertson, Craig C.; Thomas, Jim; Stumpf, Humberto Osório; Martins, Felipe Terra; Pedroso, Emerson F.; Julve, Miguel; Lloret, Francesc; Cangussu, Danielle","Metal(II)-assisted hydrolysis of 2,4,6-tris(2-pyrimidyl)-1,3,5-triazine (tpymt): synthesis, crystal structure and magnetic properties of [Co(bpcam)2]ClO4 . dmso . H2O, [Co(bpcam)2]2[Co(NCS)4] . dmso . H2O and [Ni(bpcam)2] . H2O [Hbpcam = bis(2-pyrimidylcarbonyl)amide]","New J. Chem.","2017","41","14","6911","6921","10.1039/C7NJ00526A","","","0.71073","MoKα","","0.0512","0.0422","","","0.1287","0.144","","","","","","0.677","","","","has coordinates","301442","2025-08-04","07:23:58",""
"7056328","9.9779","0.0004","12.089","0.0005","10.2249","0.0005","90","","90","","90","","1233.36","0.09","150","2","150","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C2 H18 N2 O10 P2 Zn -","- C2 H18 N2 O10 P2 Zn -","- C8 H72 N8 O40 P8 Zn4 -","4","1","","Vargova, Zuzana; Rostasova, Ingrida; Vilkova, Maria; Gyepes, Robert; Litecka, Miroslava; Kubicek, Vojtech; Imrich, Jan; Lukes, Ivan","Interaction of Zn(II)-cyclen complex with aminomethylphosphonic acid: Original simultaneous potentiometric and 31P NMR data treatment","New J. Chem.","2017","41","15","7253","7259","10.1039/C7NJ00254H","","","0.71073","MoKα","","0.0292","0.0237","","","0.0471","0.0489","","","","","","1.026","","","","has coordinates","301442","2025-08-04","07:23:58",""
"7056329","11.1652","0.0012","11.8584","0.0008","12.0735","0.0011","62.342","0.005","87.199","0.008","74.965","0.007","1362.6","0.2","113.15","","113.15","","","","","","","","","6","P -1","-P 1","2","","","","- C54 H42 Dy2 F12 N4 O10 -","- C54 H42 Dy2 F12 N4 O10 -","- C54 H42 Dy2 F12 N4 O10 -","1","0.5","","Chang, Yi-Xin; Wang, Wen-Min; Zhang, Ru-Xia; Shen, Hai-Yun; Zhou, Xiao-Pu; Wang, Ni-Ni; Cui, Jian-Zhong; Gao, Hong-Ling","Dinuclear Ln(iii) complexes constructed from an 8-hydroxyquinoline Schiff base derivative with different terminal groups show differing slow magnetic relaxation","New J. Chem.","2017","41","14","6251","6261","10.1039/C6NJ04035G","","","0.71073","MoKα","","0.032","0.0293","","","0.0754","0.0762","","","","","","1.008","","","","has coordinates,has disorder","301851","2025-08-21","20:32:55",""
"7056330","11.485","0.003","11.837","0.002","12.232","0.003","94.787","0.001","117.172","0.004","108.494","0.002","1350.6","0.5","113.15","","113.15","","","","","","","","","6","P -1","-P 1","2","","","","- C54 H42 F12 Gd2 N4 O10 -","- C54 H42 F12 Gd2 N4 O10 -","- C54 H42 F12 Gd2 N4 O10 -","1","0.5","","Chang, Yi-Xin; Wang, Wen-Min; Zhang, Ru-Xia; Shen, Hai-Yun; Zhou, Xiao-Pu; Wang, Ni-Ni; Cui, Jian-Zhong; Gao, Hong-Ling","Dinuclear Ln(iii) complexes constructed from an 8-hydroxyquinoline Schiff base derivative with different terminal groups show differing slow magnetic relaxation","New J. Chem.","2017","41","14","6251","6261","10.1039/C6NJ04035G","","","0.71073","MoKα","","0.0204","0.0189","","","0.0507","0.0512","","","","","","1.06","","","","has coordinates,has disorder","301851","2025-08-21","20:32:55",""
"7056331","11.162","0.004","11.852","0.002","12.135","0.003","61.644","0.019","87.4","0.03","75.41","0.03","1362","0.7","113.15","","113.15","","","","","","","","","6","P -1","-P 1","2","","","","- C54 H42 F12 N4 O10 Tb2 -","- C54 H42 F12 N4 O10 Tb2 -","- C54 H42 F12 N4 O10 Tb2 -","1","0.5","","Chang, Yi-Xin; Wang, Wen-Min; Zhang, Ru-Xia; Shen, Hai-Yun; Zhou, Xiao-Pu; Wang, Ni-Ni; Cui, Jian-Zhong; Gao, Hong-Ling","Dinuclear Ln(iii) complexes constructed from an 8-hydroxyquinoline Schiff base derivative with different terminal groups show differing slow magnetic relaxation","New J. Chem.","2017","41","14","6251","6261","10.1039/C6NJ04035G","","","0.71073","MoKα","","0.0881","0.0804","","","0.1963","0.2032","","","","","","1.062","","","","has coordinates,has disorder","301851","2025-08-21","20:32:55",""
"7056332","12.3847","0.0011","22.1376","0.0017","11.3751","0.001","90","","114.766","0.002","90","","2831.8","0.4","113.15","","113.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C56 H46 F12 Gd2 N4 O10 -","- C56 H40.018 F11.994 Gd2 N4 O10 -","- C112 H80.036 F23.988 Gd4 N8 O20 -","2","0.5","","Chang, Yi-Xin; Wang, Wen-Min; Zhang, Ru-Xia; Shen, Hai-Yun; Zhou, Xiao-Pu; Wang, Ni-Ni; Cui, Jian-Zhong; Gao, Hong-Ling","Dinuclear Ln(iii) complexes constructed from an 8-hydroxyquinoline Schiff base derivative with different terminal groups show differing slow magnetic relaxation","New J. Chem.","2017","41","14","6251","6261","10.1039/C6NJ04035G","","","0.71075","MoKα","","0.0713","0.0685","","","0.1517","0.1525","","","","","","1.465","","","","has coordinates,has disorder","301442","2025-08-04","07:23:59",""
"7056333","12.2757","0.0011","22.0146","0.0018","11.4203","0.0011","90","","114.753","0.002","90","","2802.7","0.4","113.15","","113.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C56 H46 Er2 F12 N4 O10 -","- C56 H40.342 Er2 F11.994 N4 O10 -","- C112 H80.684 Er4 F23.988 N8 O20 -","2","0.5","","Chang, Yi-Xin; Wang, Wen-Min; Zhang, Ru-Xia; Shen, Hai-Yun; Zhou, Xiao-Pu; Wang, Ni-Ni; Cui, Jian-Zhong; Gao, Hong-Ling","Dinuclear Ln(iii) complexes constructed from an 8-hydroxyquinoline Schiff base derivative with different terminal groups show differing slow magnetic relaxation","New J. Chem.","2017","41","14","6251","6261","10.1039/C6NJ04035G","","","0.71073","MoKα","","0.0559","0.0494","","","0.1032","0.1048","","","","","","1.441","","","","has coordinates,has disorder","301442","2025-08-04","07:23:59",""
"7056334","11.174","0.003","11.8895","0.0013","12.008","0.003","62.77","0.02","87.11","0.03","74.71","0.03","1363.7","0.6","113.15","","113.15","","","","","","","","","6","P -1","-P 1","2","","","","- C54 H42 F12 Ho2 N4 O10 -","- C54 H42 F12 Ho2 N4 O10 -","- C54 H42 F12 Ho2 N4 O10 -","1","0.5","","Chang, Yi-Xin; Wang, Wen-Min; Zhang, Ru-Xia; Shen, Hai-Yun; Zhou, Xiao-Pu; Wang, Ni-Ni; Cui, Jian-Zhong; Gao, Hong-Ling","Dinuclear Ln(iii) complexes constructed from an 8-hydroxyquinoline Schiff base derivative with different terminal groups show differing slow magnetic relaxation","New J. Chem.","2017","41","14","6251","6261","10.1039/C6NJ04035G","","","0.71073","MoKα","","0.0585","0.055","","","0.1531","0.155","","","","","","1.115","","","","has coordinates,has disorder","301851","2025-08-21","20:32:55",""
"7056335","12.448","0.009","22.405","0.012","11.522","0.008","90","","114.509","0.012","90","","2924","3","113.15","","113.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C56 H46 F12 Ho2 N4 O10 -","- C56 H40.378 F12.006 Ho2 N4 O10 -","- C112 H80.756 F24.012 Ho4 N8 O20 -","2","0.5","","Chang, Yi-Xin; Wang, Wen-Min; Zhang, Ru-Xia; Shen, Hai-Yun; Zhou, Xiao-Pu; Wang, Ni-Ni; Cui, Jian-Zhong; Gao, Hong-Ling","Dinuclear Ln(iii) complexes constructed from an 8-hydroxyquinoline Schiff base derivative with different terminal groups show differing slow magnetic relaxation","New J. Chem.","2017","41","14","6251","6261","10.1039/C6NJ04035G","","","0.71075","MoKα","","0.0762","0.0736","","","0.1589","0.1598","","","","","","1.464","","","","has coordinates,has disorder","301442","2025-08-04","07:23:59",""
"7056336","11.5","0.004","11.839","0.003","12.251","0.004","94.77","0.003","117.275","0.005","108.496","0.004","1353.3","0.7","113.15","","113.15","","","","","","","","","6","P -1","-P 1","2","","","","- C54 H42 Er2 F12 N4 O10 -","- C54 H42 Er2 F12 N4 O10 -","- C54 H42 Er2 F12 N4 O10 -","1","0.5","","Chang, Yi-Xin; Wang, Wen-Min; Zhang, Ru-Xia; Shen, Hai-Yun; Zhou, Xiao-Pu; Wang, Ni-Ni; Cui, Jian-Zhong; Gao, Hong-Ling","Dinuclear Ln(iii) complexes constructed from an 8-hydroxyquinoline Schiff base derivative with different terminal groups show differing slow magnetic relaxation","New J. Chem.","2017","41","14","6251","6261","10.1039/C6NJ04035G","","","0.71073","MoKα","","0.0316","0.0279","","","0.0788","0.0802","","","","","","1.08","","","","has coordinates,has disorder","301851","2025-08-21","20:32:55",""
"7056337","12.3438","0.0011","22.112","0.0018","11.3848","0.001","90","","114.721","0.001","90","","2822.7","0.4","113.15","","113.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C56 H46 F12 N4 O10 Tb2 -","- C56 H40.162 F12.006 N4 O10 Tb2 -","- C112 H80.324 F24.012 N8 O20 Tb4 -","2","0.5","","Chang, Yi-Xin; Wang, Wen-Min; Zhang, Ru-Xia; Shen, Hai-Yun; Zhou, Xiao-Pu; Wang, Ni-Ni; Cui, Jian-Zhong; Gao, Hong-Ling","Dinuclear Ln(iii) complexes constructed from an 8-hydroxyquinoline Schiff base derivative with different terminal groups show differing slow magnetic relaxation","New J. Chem.","2017","41","14","6251","6261","10.1039/C6NJ04035G","","","0.71075","MoKα","","0.0724","0.0699","","","0.1572","0.158","","","","","","1.482","","","","has coordinates,has disorder","301442","2025-08-04","07:23:59",""
"7056338","12.287","0.003","22.05","0.004","11.404","0.002","90","","114.696","0.004","90","","2807.1","1","113.15","","113.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C56 H46 Dy2 F12 N4 O10 -","- C56 H40.366 Dy2 F12.006 N4 O10 -","- C112 H80.732 Dy4 F24.012 N8 O20 -","2","0.5","","Chang, Yi-Xin; Wang, Wen-Min; Zhang, Ru-Xia; Shen, Hai-Yun; Zhou, Xiao-Pu; Wang, Ni-Ni; Cui, Jian-Zhong; Gao, Hong-Ling","Dinuclear Ln(iii) complexes constructed from an 8-hydroxyquinoline Schiff base derivative with different terminal groups show differing slow magnetic relaxation","New J. Chem.","2017","41","14","6251","6261","10.1039/C6NJ04035G","","","0.71075","MoKα","","0.0888","0.0871","","","0.2012","0.2017","","","","","","1.475","","","","has coordinates,has disorder","301442","2025-08-04","07:23:59",""
"7056339","6.7095","0.0002","10.9295","0.0003","19.5603","0.0006","90","","90","","90","","1434.39","0.07","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C6 H9 K N14 O2 -","- C6 H9 K N14 O2 -","- C24 H36 K4 N56 O8 -","4","1","","Safin, Damir A.; Railliet, Antoine P.; Robeyns, Koen; Mitoraj, Mariusz P.; Kubisiak, Piotr; Sagan, Filip; Garcia, Yann","Complexes and salts of the nitrogen-rich triazole–tetrazole hybrid ligand with alkali and alkaline earth metal cations: experimental and theoretical findings","New J. Chem.","2017","41","14","6210","6218","10.1039/C7NJ01391D","","","0.71073","MoKα","","0.0359","0.0325","","","0.0803","0.0829","","","","","","1.032","","","","has coordinates","301442","2025-08-04","07:23:59",""
"7056340","6.7069","0.0004","20.1149","0.0008","6.7238","0.0004","90","","110.85","0.007","90","","847.7","0.09","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C6 H16 Mg N14 O6 -","- C6 H16 Mg N14 O6 -","- C12 H32 Mg2 N28 O12 -","2","0.5","","Safin, Damir A.; Railliet, Antoine P.; Robeyns, Koen; Mitoraj, Mariusz P.; Kubisiak, Piotr; Sagan, Filip; Garcia, Yann","Complexes and salts of the nitrogen-rich triazole–tetrazole hybrid ligand with alkali and alkaline earth metal cations: experimental and theoretical findings","New J. Chem.","2017","41","14","6210","6218","10.1039/C7NJ01391D","","","0.71073","MoKα","","0.0429","0.035","","","0.084","0.0877","","","","","","1.073","","","","has coordinates","301442","2025-08-04","07:23:59",""
"7056341","12.994","0.0005","10.8427","0.0003","12.8458","0.0005","90","","119.421","0.005","90","","1576.44","0.12","150","2","150","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C3 H6 N7 Na O2 -","- C3 H6 N7 Na O2 -","- C24 H48 N56 Na8 O16 -","8","1","","Safin, Damir A.; Railliet, Antoine P.; Robeyns, Koen; Mitoraj, Mariusz P.; Kubisiak, Piotr; Sagan, Filip; Garcia, Yann","Complexes and salts of the nitrogen-rich triazole–tetrazole hybrid ligand with alkali and alkaline earth metal cations: experimental and theoretical findings","New J. Chem.","2017","41","14","6210","6218","10.1039/C7NJ01391D","","","0.71073","MoKα","","0.0296","0.028","","","0.0748","0.0761","","","","","","1.051","","","","has coordinates","301442","2025-08-04","07:23:59",""
"7056342","21.5345","0.0006","6.5665","0.0001","15.7124","0.0004","90","","123.301","0.002","90","","1857","0.09","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C6 H20 Ca N14 O8 -","- C6 H20 Ca N14 O8 -","- C24 H80 Ca4 N56 O32 -","4","0.5","","Safin, Damir A.; Railliet, Antoine P.; Robeyns, Koen; Mitoraj, Mariusz P.; Kubisiak, Piotr; Sagan, Filip; Garcia, Yann","Complexes and salts of the nitrogen-rich triazole–tetrazole hybrid ligand with alkali and alkaline earth metal cations: experimental and theoretical findings","New J. Chem.","2017","41","14","6210","6218","10.1039/C7NJ01391D","","","0.71073","MoKα","","0.029","0.0267","","","0.0693","0.0706","","","","","","1.095","","","","has coordinates","301442","2025-08-04","07:23:59",""
"7056343","3.4344","0.0008","9.898","0.002","10.611","0.003","115.93","0.03","92.17","0.02","98.473","0.02","318.72","0.16","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C3 H4 Li N7 O -","- C3 H4 Li N7 O -","- C6 H8 Li2 N14 O2 -","2","1","","Safin, Damir A.; Railliet, Antoine P.; Robeyns, Koen; Mitoraj, Mariusz P.; Kubisiak, Piotr; Sagan, Filip; Garcia, Yann","Complexes and salts of the nitrogen-rich triazole–tetrazole hybrid ligand with alkali and alkaline earth metal cations: experimental and theoretical findings","New J. Chem.","2017","41","14","6210","6218","10.1039/C7NJ01391D","","","0.71073","MoKα","","0.1052","0.0925","","","0.2398","0.2577","","","","","","1.063","","","","has coordinates","301442","2025-08-04","07:23:59",""
"7056344","6.57661","0.00007","10.74411","0.00011","22.3441","0.0003","90","","92.5542","0.001","90","","1577.26","0.03","150","2","150","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C12 H26 Ba2 N28 O9 -","- C12 H26 Ba2 N28 O9 -","- C24 H52 Ba4 N56 O18 -","2","0.5","","Safin, Damir A.; Railliet, Antoine P.; Robeyns, Koen; Mitoraj, Mariusz P.; Kubisiak, Piotr; Sagan, Filip; Garcia, Yann","Complexes and salts of the nitrogen-rich triazole–tetrazole hybrid ligand with alkali and alkaline earth metal cations: experimental and theoretical findings","New J. Chem.","2017","41","14","6210","6218","10.1039/C7NJ01391D","","","0.71073","MoKα","","0.0276","0.027","","","0.0696","0.0701","","","","","","1.184","","","","has coordinates","301442","2025-08-04","07:23:59",""
"7056345","9.6685","0.0004","9.6685","0.0004","27.3428","0.0007","90","","90","","120","","2213.56","0.14","150","2","150.01","0.1","","","","","","","","5","P 31 2 1","P 31 2""","152","","","","- C34 H28 Fe2 N6 O5 -","- C34 H28 Fe2 N6 O5 -","- C102 H84 Fe6 N18 O15 -","3","0.5","","Yadav, Reena; SINGH, AMITA; Kociok-Kohn, Gabriele; Chauhan, Ratna; Kumar, Abhinav; Gosavi, Suresh W.","Ferrocenyl Benzimidazole with Carboxylic and Nitro Anchors as Potential Sensitizers in Dye-Sensitized Solar Cells","New J. Chem.","2017","41","15","7312","7321","10.1039/C7NJ01464C","","x-ray","0.71073","MoKα","","0.1043","0.0686","","","0.1579","0.1747","","","","","","1.054","","","","has coordinates","301851","2025-08-21","20:32:55",""
"7056346","6.9737","0.0005","10.1021","0.0007","10.3328","0.0007","66.047","0.002","73.622","0.002","73.682","0.002","626.64","0.08","110","2","110","2","","","","","","","","6","P -1","-P 1","2","S116","","","- C22 H27 Cl3 Mn N2 O7 -","- C22 H27 Cl3 Mn N2 O7 -","- C22 H27 Cl3 Mn N2 O7 -","1","0.5","","Chattopadhyay, Shouvik; Sarkar, Nandita; Harms, Klaus; Frontera, Antonio","The importance of unconventional C–H•••π(SCN) interactions in stabilizing the unexpected syn/anti arrangement of pendant alkoxy side arms in two manganese(IV) Schiff base complexes: Exploration of catechol oxidase and phenoxazinone synthase like activities","New J. Chem.","2017","41","16","8053","8065","10.1039/C7NJ00766C","","","0.71073","MoKα","","0.058","0.0556","","","0.1355","0.1363","","","","","","1.429","","","","has coordinates,has disorder","301442","2025-08-04","07:23:59",""
"7056347","10.7379","0.0005","14.9326","0.0007","18.4749","0.0009","90","","105.857","0.002","90","","2849.6","0.2","110","2","110","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","S113","","","- C27 H35 Mn N3 O8 S -","- C27 H35 Mn N3 O8 S -","- C108 H140 Mn4 N12 O32 S4 -","4","1","","Chattopadhyay, Shouvik; Sarkar, Nandita; Harms, Klaus; Frontera, Antonio","The importance of unconventional C–H•••π(SCN) interactions in stabilizing the unexpected syn/anti arrangement of pendant alkoxy side arms in two manganese(IV) Schiff base complexes: Exploration of catechol oxidase and phenoxazinone synthase like activities","New J. Chem.","2017","41","16","8053","8065","10.1039/C7NJ00766C","","","0.71073","MoKα","","0.0771","0.0678","","","0.1364","0.1404","","","","","","1.138","","","","has coordinates,has disorder","301442","2025-08-04","07:24:00",""
"7056348","10.5079","0.0003","12.9149","0.0004","19.0193","0.0007","90","","104.295","0.004","90","","2501.16","0.15","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H28 Cl2 N8 Pt -","- C20 H28 Cl2 N8 Pt -","- C80 H112 Cl8 N32 Pt4 -","4","1","","Łakomska, Iwona; babinska, magdalena; Wojtczak, Andrzej; Kozakiewicz, Anna; Sitkowski, Jerzy; Jarzecki, Andrzej A.","Experimental and theoretical investigation of the complexation of 5-methyl-7-isobutyl-1,2,4-triazolo[1,5-a]pyrimidine by platinum(II) ion","New J. Chem.","2017","41","15","7775","7782","10.1039/C7NJ01112A","","","0.71073","MoKα","","0.0387","0.0244","","","0.0469","0.0488","","","","","","0.946","","","","has coordinates","301442","2025-08-04","07:24:11",""
"7056349","13.0528","0.0004","10.3031","0.0003","13.9763","0.0004","90","","99.763","0.003","90","","1852.37","0.1","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C12 H20 Cl2 N4 O Pt S -","- C12 H20 Cl2 N4 O Pt S -","- C48 H80 Cl8 N16 O4 Pt4 S4 -","4","1","","Łakomska, Iwona; babinska, magdalena; Wojtczak, Andrzej; Kozakiewicz, Anna; Sitkowski, Jerzy; Jarzecki, Andrzej A.","Experimental and theoretical investigation of the complexation of 5-methyl-7-isobutyl-1,2,4-triazolo[1,5-a]pyrimidine by platinum(II) ion","New J. Chem.","2017","41","15","7775","7782","10.1039/C7NJ01112A","","","0.71073","MoKα","","0.049","0.0351","","","0.0897","0.0927","","","","","","1.044","","","","has coordinates","301442","2025-08-04","07:24:28",""
"7056350","13.983","0.004","7.6739","0.0011","15.073","0.004","90","","116.36","0.04","90","","1449.2","0.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H17 Cl2 N5 Pt -","- C10 H17 Cl2 N5 Pt -","- C40 H68 Cl8 N20 Pt4 -","4","1","","Łakomska, Iwona; babinska, magdalena; Wojtczak, Andrzej; Kozakiewicz, Anna; Sitkowski, Jerzy; Jarzecki, Andrzej A.","Experimental and theoretical investigation of the complexation of 5-methyl-7-isobutyl-1,2,4-triazolo[1,5-a]pyrimidine by platinum(II) ion","New J. Chem.","2017","41","15","7775","7782","10.1039/C7NJ01112A","","","0.71073","MoKα","","0.1176","0.0766","","","0.1946","0.213","","","","","","1.041","","","","has coordinates","301442","2025-08-04","07:24:34",""
"7056351","11.469","0.004","9.506","0.001","19.52","0.006","90","","90","","90","","2128.2","1","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C10 H14 N4 -","- C10 H14 N4 -","- C80 H112 N32 -","8","1","","Łakomska, Iwona; babinska, magdalena; Wojtczak, Andrzej; Kozakiewicz, Anna; Sitkowski, Jerzy; Jarzecki, Andrzej A.","Experimental and theoretical investigation of the complexation of 5-methyl-7-isobutyl-1,2,4-triazolo[1,5-a]pyrimidine by platinum(II) ion","New J. Chem.","2017","41","15","7775","7782","10.1039/C7NJ01112A","","","0.71073","MoKα","","0.1066","0.0708","","","0.2051","0.233","","","","","","1.044","","","","has coordinates","301851","2025-08-21","20:32:55",""
"7056352","12.7474","0.0013","16.9894","0.0018","16.8809","0.0018","90","","102.817","0.001","90","","3564.8","0.6","293","2","293.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H51 N4 Nd O Si4 -","- C24 H51 N4 Nd O Si4 -","- C96 H204 N16 Nd4 O4 Si16 -","4","1","","Gu, Xiaoxia; Wang, Shaowu; Wei, Yun; Zhu, Xiancui; Zhou, Shuangliu; Huang, Zeming; Mu, Xiaolong","Rare earth metal bisamido complexes with a NNO tridentate ligand and catalytic activity for selective polymerization of isoprene","New J. Chem.","2017","41","15","7723","7728","10.1039/C7NJ01454F","","","0.71073","MoKα","","0.0522","0.0418","","","0.1077","0.1158","","","","","","1.04","","","","has coordinates","301851","2025-08-21","20:32:55",""
"7056353","9.4869","0.0007","19.017","0.0014","19.2467","0.0014","90","","90","","90","","3472.3","0.4","293","2","293.15","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C24 H51 N4 O Si4 Yb -","- C24 H51 N4 O Si4 Yb -","- C96 H204 N16 O4 Si16 Yb4 -","4","1","","Gu, Xiaoxia; Wang, Shaowu; Wei, Yun; Zhu, Xiancui; Zhou, Shuangliu; Huang, Zeming; Mu, Xiaolong","Rare earth metal bisamido complexes with a NNO tridentate ligand and catalytic activity for selective polymerization of isoprene","New J. Chem.","2017","41","15","7723","7728","10.1039/C7NJ01454F","","","0.71073","MoKα","","0.0668","0.0616","","","0.1448","0.1503","","","","","","1.059","","","","has coordinates,has disorder","301851","2025-08-21","20:32:55",""
"7056354","9.5148","0.0009","19.1828","0.0018","19.1886","0.0018","90","","90","","90","","3502.3","0.6","293","2","293.15","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C24 H51 Dy N4 O Si4 -","- C24 H51 Dy N4 O Si4 -","- C96 H204 Dy4 N16 O4 Si16 -","4","1","","Gu, Xiaoxia; Wang, Shaowu; Wei, Yun; Zhu, Xiancui; Zhou, Shuangliu; Huang, Zeming; Mu, Xiaolong","Rare earth metal bisamido complexes with a NNO tridentate ligand and catalytic activity for selective polymerization of isoprene","New J. Chem.","2017","41","15","7723","7728","10.1039/C7NJ01454F","","","0.71073","MoKα","","0.0472","0.0439","","","0.1116","0.1145","","","","","","1.112","","","","has coordinates","301851","2025-08-21","20:32:55",""
"7056355","12.7324","0.0009","16.9061","0.0011","16.9308","0.0012","90","","102.417","0.001","90","","3559.2","0.4","293","2","293.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H51 N4 O Si4 Sm -","- C24 H51 N4 O Si4 Sm -","- C96 H204 N16 O4 Si16 Sm4 -","4","1","","Gu, Xiaoxia; Wang, Shaowu; Wei, Yun; Zhu, Xiancui; Zhou, Shuangliu; Huang, Zeming; Mu, Xiaolong","Rare earth metal bisamido complexes with a NNO tridentate ligand and catalytic activity for selective polymerization of isoprene","New J. Chem.","2017","41","15","7723","7728","10.1039/C7NJ01454F","","","0.71073","MoKα","","0.0363","0.028","","","0.0616","0.0671","","","","","","1.009","","","","has coordinates,has disorder","301851","2025-08-21","20:32:55",""
"7056356","10.9219","0.001","18.945","0.0017","16.7845","0.0015","90","","93.955","0.001","90","","3464.7","0.5","293","2","293.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H51 N4 O Si4 Y -","- C24 H51 N4 O Si4 Y -","- C96 H204 N16 O4 Si16 Y4 -","4","1","","Gu, Xiaoxia; Wang, Shaowu; Wei, Yun; Zhu, Xiancui; Zhou, Shuangliu; Huang, Zeming; Mu, Xiaolong","Rare earth metal bisamido complexes with a NNO tridentate ligand and catalytic activity for selective polymerization of isoprene","New J. Chem.","2017","41","15","7723","7728","10.1039/C7NJ01454F","","","0.71073","MoKα","","0.0989","0.0449","","","0.0859","0.1022","","","","","","1.001","","","","has coordinates","301851","2025-08-21","20:32:55",""
"7056357","9.5144","0.0008","19.1019","0.0016","19.2125","0.0016","90","","90","","90","","3491.7","0.5","293","2","293.15","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C24 H51 Er N4 O Si4 -","- C24 H51 Er N4 O Si4 -","- C96 H204 Er4 N16 O4 Si16 -","4","1","","Gu, Xiaoxia; Wang, Shaowu; Wei, Yun; Zhu, Xiancui; Zhou, Shuangliu; Huang, Zeming; Mu, Xiaolong","Rare earth metal bisamido complexes with a NNO tridentate ligand and catalytic activity for selective polymerization of isoprene","New J. Chem.","2017","41","15","7723","7728","10.1039/C7NJ01454F","","","0.71073","MoKα","","0.0302","0.0255","","","0.0558","0.0576","","","","","","1.037","","","","has coordinates","301851","2025-08-21","20:32:55",""
"7056358","16.8027","0.0016","12.4348","0.0012","17.2821","0.0016","90","","101.284","0.001","90","","3541.1","0.6","293","2","293.15","","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C24 H51 Gd N4 O Si4 -","- C24 H51 Gd N4 O Si4 -","- C96 H204 Gd4 N16 O4 Si16 -","4","1","","Gu, Xiaoxia; Wang, Shaowu; Wei, Yun; Zhu, Xiancui; Zhou, Shuangliu; Huang, Zeming; Mu, Xiaolong","Rare earth metal bisamido complexes with a NNO tridentate ligand and catalytic activity for selective polymerization of isoprene","New J. Chem.","2017","41","15","7723","7728","10.1039/C7NJ01454F","","","0.71073","MoKα","","0.0343","0.0245","","","0.0557","0.0593","","","","","","1.052","","","","has coordinates,has disorder","301851","2025-08-21","20:32:55",""
"7056359","15.7192","0.0013","15.7192","0.0013","15.4669","0.0019","90","","90","","120","","3309.7","0.6","173","2","173","2","","","","","","","","6","P 63","P 6c","173","","","","- C71 H51 Cu4 I4 N7 O6 -","- C71 H50.9997 Cu4 I4 N7 O6 -","- C142 H101.999 Cu8 I8 N14 O12 -","2","0.333333","","razali, mohd rizal; Zhan, Shun-Ze; Tai Wei, Chan","Solvent-mediated single-crystal-to-single-crystal transformation from dimeric to tetrameric copper(I) complex based on a substituted pyridine derived from the Diels-Alder adduct","New J. Chem.","2017","41","15","7598","7604","10.1039/C7NJ01552F","","","0.71073","MoKα","","0.0808","0.0579","","","0.1061","0.1165","","","","","","1.031","","","","has coordinates","301442","2025-08-04","07:25:44",""
"7056360","17.5818","0.0006","12.0417","0.0004","8.0384","0.0003","90","","99.013","0.001","90","","1680.83","0.1","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H16 N2 O2 -","- C23 H16 N2 O2 -","- C92 H64 N8 O8 -","4","1","","razali, mohd rizal; Zhan, Shun-Ze; Tai Wei, Chan","Solvent-mediated single-crystal-to-single-crystal transformation from dimeric to tetrameric copper(I) complex based on a substituted pyridine derived from the Diels-Alder adduct","New J. Chem.","2017","41","15","7598","7604","10.1039/C7NJ01552F","","","0.71073","MoKα","","0.055","0.0449","","","0.1182","0.1297","","","","","","1.038","","","","has coordinates","301851","2025-08-21","20:32:55",""
"7056361","16.5376","0.0018","7.735","0.0007","34.802","0.003","90","","97.83","0.003","90","","4410.3","0.7","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C50 H38 Cu2 I2 N6 O4 -","- C50 H38 Cu2 I2 N6 O4 -","- C200 H152 Cu8 I8 N24 O16 -","4","0.5","","razali, mohd rizal; Zhan, Shun-Ze; Tai Wei, Chan","Solvent-mediated single-crystal-to-single-crystal transformation from dimeric to tetrameric copper(I) complex based on a substituted pyridine derived from the Diels-Alder adduct","New J. Chem.","2017","41","15","7598","7604","10.1039/C7NJ01552F","","","0.71073","MoKα","","0.0595","0.0534","","","0.1092","0.1116","","","","","","1.195","","","","has coordinates","301442","2025-08-04","07:25:58",""
"7056362","15.086","0.004","17.048","0.004","17.876","0.008","103.16","0.005","110.463","0.006","107.684","0.004","3806","2","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C55 H88 Ca2 Cl4 N20 O21 -","- C55 H70 Ca2 Cl4 N20 O21 -","- C110 H140 Ca4 Cl8 N40 O42 -","2","1","","Wu, Yufan; Xu, Lixi; Shen, Yenan; Wang, Yang; Wang, Qiaochun","Helianthus-like Cucurbit[4]uril and Cucurbit[5]uril analogues","New J. Chem.","2017","41","15","6991","6994","10.1039/C7NJ01595J","","","0.71073","MoKα","","0.1471","0.1187","","","0.3621","0.3927","","","","","","1.483","","","","has coordinates","301442","2025-08-04","07:26:03",""
"7056363","12.666","0.001","20.7418","0.0016","11.672","0.0009","90","","111.646","0.001","90","","2850.2","0.4","203","2","203","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C44 H76 Ca2 Cl4 N16 O18 -","- C44 H76 Ca2 Cl4 N16 O18 -","- C88 H152 Ca4 Cl8 N32 O36 -","2","0.5","","Wu, Yufan; Xu, Lixi; Shen, Yenan; Wang, Yang; Wang, Qiaochun","Helianthus-like Cucurbit[4]uril and Cucurbit[5]uril analogues","New J. Chem.","2017","41","15","6991","6994","10.1039/C7NJ01595J","","","0.71073","MoKα","","0.0533","0.0437","","","0.1323","0.1461","","","","","","1.068","","","","has coordinates,has disorder","301442","2025-08-04","07:26:04",""
"7056364","9.5043","0.0011","11.142","0.0011","12.986","0.0014","109.453","0.007","103.185","0.009","92.637","0.008","1251.3","0.2","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H32 N4 O4 -","- C28 H32 N4 O4 -","- C56 H64 N8 O8 -","2","1","","Chattopadhyay, Pabitra; Maji, Abhishek; Pal, Siddhartha; Lohar, Somenath; Mukhopadhyay, Subhra Kanti","A new turn-on benzimidazole based greenish-yellow fluorescent sensor for Zn2+ ion at biological pH applicable in cell imaging","New J. Chem.","2017","41","15","7583","7590","10.1039/C7NJ01821E","","","0.71073","MoKα","","0.1391","0.0608","","","0.1507","0.2166","","","","","","1","","","","has coordinates","301851","2025-08-21","20:32:55",""
"7056365","18.5957","0.0005","14.4379","0.0004","8.6771","0.0002","90","","112.451","0.001","90","","2153.08","0.1","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H14 N8 O11 Ru2 -","- C12 H14 N8 O11 Ru2 -","- C48 H56 N32 O44 Ru8 -","4","0.5","","Kostin, Gennadiy; Mikhailov, Artem Alexandrovich; Kuratieva, Natalia; Pishchur, Denis P.; Zharkov, Dmitry O.; Grin, Inga Rostislavovna","Influence of pyridine-like ligands on the structure, photochemical and biological properties of nitro-nitrosyl ruthenium complexes.","New J. Chem.","2017","41","15","7758","7765","10.1039/C7NJ01602F","","","0.71073","MoKα","","0.0327","0.023","","","0.0492","0.0511","","","","","","1.025","","","","has coordinates","301851","2025-08-21","20:32:55",""
"7056366","9.4624","0.0003","9.9201","0.0003","17.3772","0.0005","90","","94.292","0.001","90","","1626.59","0.09","80","2","80","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H15 N5 O6 Ru -","- C12 H15 N5 O6 Ru -","- C48 H60 N20 O24 Ru4 -","4","1","","Kostin, Gennadiy; Mikhailov, Artem Alexandrovich; Kuratieva, Natalia; Pishchur, Denis P.; Zharkov, Dmitry O.; Grin, Inga Rostislavovna","Influence of pyridine-like ligands on the structure, photochemical and biological properties of nitro-nitrosyl ruthenium complexes.","New J. Chem.","2017","41","15","7758","7765","10.1039/C7NJ01602F","","","0.71073","MoKα","","0.0194","0.0184","","","0.0465","0.047","","","","","","1.073","","","","has coordinates,has disorder","301851","2025-08-21","20:32:55",""
"7056367","28.1411","0.001","9.5372","0.0003","13.4951","0.0005","90","","116.104","0.001","90","","3252.5","0.2","150","2","150","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C12 H15 N5 O6 Ru -","- C12 H15 N5 O6 Ru -","- C96 H120 N40 O48 Ru8 -","8","2","","Kostin, Gennadiy; Mikhailov, Artem Alexandrovich; Kuratieva, Natalia; Pishchur, Denis P.; Zharkov, Dmitry O.; Grin, Inga Rostislavovna","Influence of pyridine-like ligands on the structure, photochemical and biological properties of nitro-nitrosyl ruthenium complexes.","New J. Chem.","2017","41","15","7758","7765","10.1039/C7NJ01602F","","","0.71073","MoKα","","0.0263","0.0253","","","0.0647","0.0652","","","","","","1.037","","","","has coordinates","301851","2025-08-21","20:32:55",""
"7056368","9.459","0.0002","9.9164","0.0003","17.3619","0.0005","90","","94.27","0.001","90","","1624.01","0.08","80","2","80","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H15 N5 O6 Ru -","- C12 H15 N5 O6 Ru -","- C48 H60 N20 O24 Ru4 -","4","1","","Kostin, Gennadiy; Mikhailov, Artem Alexandrovich; Kuratieva, Natalia; Pishchur, Denis P.; Zharkov, Dmitry O.; Grin, Inga Rostislavovna","Influence of pyridine-like ligands on the structure, photochemical and biological properties of nitro-nitrosyl ruthenium complexes.","New J. Chem.","2017","41","15","7758","7765","10.1039/C7NJ01602F","","","0.71073","MoKα","","0.0192","0.0182","","","0.0457","0.0462","","","","","","1.041","","","","has coordinates","301851","2025-08-21","20:32:55",""
"7056369","9.7379","0.001","10.3204","0.0012","20.607","0.002","90","","90.386","0.003","90","","2070.9","0.4","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H17 Cl2 N5 O6 Ru -","- C13 H17 Cl2 N5 O6 Ru -","- C52 H68 Cl8 N20 O24 Ru4 -","4","1","","Kostin, Gennadiy; Mikhailov, Artem Alexandrovich; Kuratieva, Natalia; Pishchur, Denis P.; Zharkov, Dmitry O.; Grin, Inga Rostislavovna","Influence of pyridine-like ligands on the structure, photochemical and biological properties of nitro-nitrosyl ruthenium complexes.","New J. Chem.","2017","41","15","7758","7765","10.1039/C7NJ01602F","","","0.71073","MoKα","","0.0541","0.0461","","","0.1438","0.1544","","","","","","1.192","","","","has coordinates,has disorder","301851","2025-08-21","20:32:55",""
"7056370","16.2703","0.0006","10.6913","0.0004","16.8761","0.0005","90","","90","","90","","2935.61","0.18","150","2","150","2","","","","","","","","6","P c c a","-P 2a 2ac","54","","","","- C24 H22 Cl2 N12 O4 Pd2 -","- C24 H22 Cl2 N12 O4 Pd2 -","- C96 H88 Cl8 N48 O16 Pd8 -","4","0.5","","Patra, Shanti G.; Shee, Nirmal K.; Drew, Michael G. B.; Datta, Dipankar","Palladium(II)-palladium(II) bonding in two open clamshell dinuclear complexes","New J. Chem.","2017","41","15","7384","7391","10.1039/C7NJ01604B","","","0.71073","MoKα","","0.0778","0.0432","","","0.079","0.0933","","","","","","1.019","","","","has coordinates","301851","2025-08-21","20:32:55",""
"7056371","10.5484","0.0016","11.4088","0.0014","13.033","0.002","66.797","0.015","67.828","0.015","89.922","0.011","1314.8","0.4","150","2","150","2","","","","","","","","6","P 1","P 1","1","","","","- C52 H44 Cl2 N14 O8 Pd2 -","- C52 H44 Cl2 N14 O8 Pd2 -","- C52 H44 Cl2 N14 O8 Pd2 -","1","1","","Patra, Shanti G.; Shee, Nirmal K.; Drew, Michael G. B.; Datta, Dipankar","Palladium(II)-palladium(II) bonding in two open clamshell dinuclear complexes","New J. Chem.","2017","41","15","7384","7391","10.1039/C7NJ01604B","","","0.71073","MoKα","","0.0275","0.0258","","","0.0589","0.0605","","","","","","1.026","","","","has coordinates","301851","2025-08-21","20:32:55",""
"7056372","5.8417","0.0003","8.906","0.0005","12.8197","0.0007","86.18","0.002","88.587","0.002","72.272","0.002","633.87","0.06","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H8 F3 N2 O2 S -","- C12 H8 F3 N2 O2 S -","- C24 H16 F6 N4 O4 S2 -","2","1","","S. Chourasiya, Sumit; Patel, Dhara; Nagaraja, C. M.; Chakraborti, Asit Kumar; Bharatam, Prasad. V.","Sulfonamide vs.Sulfonimide: Tautomerism and Electronic Structure Analysis of N-Heterocyclic Arenesulfonamides","New J. Chem.","2017","41","16","8118","8129","10.1039/C7NJ01353A","","","0.71073","MoKα","","0.0708","0.0668","","","0.1973","0.2019","","","","","","1.086","","","","has coordinates","301442","2025-08-04","07:26:06",""
"7056373","10.9279","0.0004","18.813","0.0006","21.313","0.0008","90","","93.944","0.002","90","","4371.3","0.3","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H20 N6 O8 Zn2 -","- C36 H20 N6 O8 Zn2 -","- C144 H80 N24 O32 Zn8 -","4","1","","Zhang, Jinfang; Gong, Linpei; Feng, Jiaoyang; Wu, Junjie; Zhang, Chi","Two Luminescent Zn(II)/Cd(II) Metal-Organic Frameworks as Rare Multifunctional Sensors","New J. Chem.","2017","41","16","8107","8117","10.1039/C7NJ01072A","","","0.71073","MoKα","","0.0872","0.0623","","","0.1652","0.1753","","","","","","1.048","","","","has coordinates","301442","2025-08-04","07:26:06",""
"7056374","10.9463","0.0003","17.965","0.0005","13.4705","0.0003","90","","122.026","0.002","90","","2245.82","0.11","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H18 Cd N8 O5 -","- C22 H18 Cd N8 O5 -","- C88 H72 Cd4 N32 O20 -","4","1","","Zhang, Jinfang; Gong, Linpei; Feng, Jiaoyang; Wu, Junjie; Zhang, Chi","Two Luminescent Zn(II)/Cd(II) Metal-Organic Frameworks as Rare Multifunctional Sensors","New J. Chem.","2017","41","16","8107","8117","10.1039/C7NJ01072A","","","0.71073","MoKα","","0.0359","0.0289","","","0.0768","0.0796","","","","","","1.034","","","","has coordinates","301442","2025-08-04","07:26:06",""
"7056375","9.9381","0.0006","9.8","0.0006","31.5878","0.0019","90","","98.325","0.003","90","","3044","0.3","100","2","100","2","","","","","","","synthesis as described","8","P 1 21/n 1","-P 2yn","14","","","","- C27 H23 Br Cl2 F6 N6 P Ru -","- C27 H23 Br Cl2 F6 N6 P Ru -","- C108 H92 Br4 Cl8 F24 N24 P4 Ru4 -","4","1","","Amabilino, Silvia; Tasse, Marine; Lacroix, Pascal G.; Mallet-Ladeira, Sonia; Pimienta, Véronique; Akl, Joëlle; Sasaki, Isabelle; Malfant, Isabelle","Photorelease of nitric oxide (NO) on ruthenium nitrosyl complexes with phenyl substituted terpyridines","New J. Chem.","2017","41","15","7371","7383","10.1039/C7NJ00866J","","x-ray","0.71073","MoKα","","0.0417","0.0326","","","0.0668","0.0694","","","","","","1.145","","","","has coordinates,has disorder","301442","2025-08-04","07:26:06",""
"7056376","28.016","0.0014","8.6148","0.0005","20.3292","0.001","90","","90","","90","","4906.5","0.4","100","2","100","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C21 H17 Cl3 N4 O2 Ru -","- C21 H17 Cl3 N4 O2 Ru -","- C168 H136 Cl24 N32 O16 Ru8 -","8","1","","Amabilino, Silvia; Tasse, Marine; Lacroix, Pascal G.; Mallet-Ladeira, Sonia; Pimienta, Véronique; Akl, Joëlle; Sasaki, Isabelle; Malfant, Isabelle","Photorelease of nitric oxide (NO) on ruthenium nitrosyl complexes with phenyl substituted terpyridines","New J. Chem.","2017","41","15","7371","7383","10.1039/C7NJ00866J","","x-ray","0.71073","MoKα","","0.0761","0.0386","","","0.0715","0.0844","","","","","","0.993","","","","has coordinates","301442","2025-08-04","07:26:06",""
"7056377","14.023","0.006","7.125","0.004","25.62","0.012","90","","105.62","0.017","90","","2465","2","100","2","100","2","","","","","","","synthesis as described","8","P 1 21/n 1","-P 2yn","14","","","","- C21 H15 Cl2 F6 N4 O P Ru -","- C21 H15 Cl2 F6 N4 O P Ru -","- C84 H60 Cl8 F24 N16 O4 P4 Ru4 -","4","1","","Amabilino, Silvia; Tasse, Marine; Lacroix, Pascal G.; Mallet-Ladeira, Sonia; Pimienta, Véronique; Akl, Joëlle; Sasaki, Isabelle; Malfant, Isabelle","Photorelease of nitric oxide (NO) on ruthenium nitrosyl complexes with phenyl substituted terpyridines","New J. Chem.","2017","41","15","7371","7383","10.1039/C7NJ00866J","","x-ray","0.71073","MoKα","","0.0557","0.0346","","","0.0701","0.0779","","","","","","1.044","","","","has coordinates","301442","2025-08-04","07:26:06",""
"7056378","6.9624","0.0006","14.2674","0.001","14.4225","0.0011","88.839","0.002","80.54","0.002","83.493","0.002","1404.07","0.19","100","2","100","2","","","","","","","synthesis as described","8","P -1","-P 1","2","","","","- C25 H23 Cl2 F6 N4 O3 P Ru -","- C25 H23 Cl2 F6 N4 O3 P Ru -","- C50 H46 Cl4 F12 N8 O6 P2 Ru2 -","2","1","","Amabilino, Silvia; Tasse, Marine; Lacroix, Pascal G.; Mallet-Ladeira, Sonia; Pimienta, Véronique; Akl, Joëlle; Sasaki, Isabelle; Malfant, Isabelle","Photorelease of nitric oxide (NO) on ruthenium nitrosyl complexes with phenyl substituted terpyridines","New J. Chem.","2017","41","15","7371","7383","10.1039/C7NJ00866J","","x-ray","0.71073","MoKα","","0.0386","0.0293","","","0.0652","0.0695","","","","","","1.043","","","","has coordinates","301442","2025-08-04","07:26:06",""
"7056379","7.6187","0.0008","25.999","0.003","13.6071","0.0012","90","","103.433","0.011","90","","2621.5","0.5","180","2","180","2","","","","","","","synthesis as described","8","P 1 21/c 1","-P 2ybc","14","","","","- C24 H20 Cl2 F6 N4 O P Ru -","- C24 H20 Cl2 F6 N4 O P Ru -","- C96 H80 Cl8 F24 N16 O4 P4 Ru4 -","4","1","","Amabilino, Silvia; Tasse, Marine; Lacroix, Pascal G.; Mallet-Ladeira, Sonia; Pimienta, Véronique; Akl, Joëlle; Sasaki, Isabelle; Malfant, Isabelle","Photorelease of nitric oxide (NO) on ruthenium nitrosyl complexes with phenyl substituted terpyridines","New J. Chem.","2017","41","15","7371","7383","10.1039/C7NJ00866J","","x-ray","0.71073","MoKα","","0.1127","0.0766","","","0.1336","0.147","","","","","","1.091","","","","has coordinates,has disorder","301442","2025-08-04","07:26:06",""
"7056380","10.8897","0.0009","17.2969","0.0013","13.3346","0.001","90","","105.353","0.003","90","","2422","0.3","100","2","100","2","","","","","","","synthesis as described","9","P 1 21/n 1","-P 2yn","14","","","","- C21 H14 Br Cl2 F6 N4 O P Ru -","- C21 H14 Br Cl2 F6 N4 O P Ru -","- C84 H56 Br4 Cl8 F24 N16 O4 P4 Ru4 -","4","1","","Amabilino, Silvia; Tasse, Marine; Lacroix, Pascal G.; Mallet-Ladeira, Sonia; Pimienta, Véronique; Akl, Joëlle; Sasaki, Isabelle; Malfant, Isabelle","Photorelease of nitric oxide (NO) on ruthenium nitrosyl complexes with phenyl substituted terpyridines","New J. Chem.","2017","41","15","7371","7383","10.1039/C7NJ00866J","","x-ray","0.71073","MoKα","","0.0494","0.0346","","","0.0772","0.0837","","","","","","1.051","","","","has coordinates,has disorder","301442","2025-08-04","07:26:06",""
"7056381","21.673","0.002","25.105","0.003","11.5618","0.0012","90","","97.922","0.003","90","","6230.7","1.1","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C50 H47 Cl4 F12 N9 O5 P2 Ru2 -","- C50 H47 Cl4 F12 N9 O5 P2 Ru2 -","- C200 H188 Cl16 F48 N36 O20 P8 Ru8 -","4","1","","Amabilino, Silvia; Tasse, Marine; Lacroix, Pascal G.; Mallet-Ladeira, Sonia; Pimienta, Véronique; Akl, Joëlle; Sasaki, Isabelle; Malfant, Isabelle","Photorelease of nitric oxide (NO) on ruthenium nitrosyl complexes with phenyl substituted terpyridines","New J. Chem.","2017","41","15","7371","7383","10.1039/C7NJ00866J","","","0.71073","MoKα","","0.1272","0.0947","","","0.2264","0.2447","","","","","","1.021","","","","has coordinates,has disorder","301442","2025-08-04","07:26:06",""
"7056382","14.1159","0.0006","15.3254","0.0007","18.2305","0.0009","90","","112.383","0.003","90","","3646.7","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H19 N3 O -","- C24 H19 N3 O -","- C192 H152 N24 O8 -","8","2","","Murali, Karunanidhi; Sparkes, Hazel Anne; Pandiyan, B.Vijaya; Prasad, Rajendra","Synthesis, Photophysical Properties and DFT analysis of Highly substituted Pyrido Carbazole-based “push pull” chromophores","New J. Chem.","2017","41","16","8242","8252","10.1039/C7NJ00643H","","","0.71073","MoKα","","0.1235","0.0801","","","0.1874","0.2063","","","","","","1.083","","","","has coordinates","301851","2025-08-21","20:32:56",""
"7056383","10.0881","0.0004","15.1974","0.0006","12.209","0.0005","90","","98.801","0.003","90","","1849.76","0.13","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H19 N3 O -","- C24 H19 N3 O -","- C96 H76 N12 O4 -","4","1","","Murali, Karunanidhi; Sparkes, Hazel Anne; Pandiyan, B.Vijaya; Prasad, Rajendra","Synthesis, Photophysical Properties and DFT analysis of Highly substituted Pyrido Carbazole-based “push pull” chromophores","New J. Chem.","2017","41","16","8242","8252","10.1039/C7NJ00643H","","","0.71073","MoKα","","0.0537","0.0408","","","0.0998","0.1072","","","","","","1.04","","","","has coordinates","301851","2025-08-21","20:32:56",""
"7056384","10.7239","0.0011","15.4965","0.0015","10.3257","0.001","90","","91.507","0.008","90","","1715.4","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H15 N3 O S -","- C21 H15 N3 O S -","- C84 H60 N12 O4 S4 -","4","1","","Murali, Karunanidhi; Sparkes, Hazel Anne; Pandiyan, B.Vijaya; Prasad, Rajendra","Synthesis, Photophysical Properties and DFT analysis of Highly substituted Pyrido Carbazole-based “push pull” chromophores","New J. Chem.","2017","41","16","8242","8252","10.1039/C7NJ00643H","","","0.71073","MoKα","","0.1173","0.0857","","","0.2348","0.2495","","","","","","1.161","","","","has coordinates","301851","2025-08-21","20:32:56",""
"7056385","9.9044","0.0006","16.2434","0.0009","12.9264","0.0008","90","","106.592","0.004","90","","1993","0.2","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C25 H21 N3 O -","- C25 H21 N3 O -","- C100 H84 N12 O4 -","4","1","","Murali, Karunanidhi; Sparkes, Hazel Anne; Pandiyan, B.Vijaya; Prasad, Rajendra","Synthesis, Photophysical Properties and DFT analysis of Highly substituted Pyrido Carbazole-based “push pull” chromophores","New J. Chem.","2017","41","16","8242","8252","10.1039/C7NJ00643H","","","0.71073","MoKα","","0.0594","0.0449","","","0.1123","0.122","","","","","","1.031","","","","has coordinates","301851","2025-08-21","20:32:56",""
"7056386","13.4283","0.001","15.7465","0.0011","16.5327","0.0011","90","","92.893","0.006","90","","3491.4","0.4","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H17 N3 O -","- C23 H17 N3 O -","- C184 H136 N24 O8 -","8","4","","Murali, Karunanidhi; Sparkes, Hazel Anne; Pandiyan, B.Vijaya; Prasad, Rajendra","Synthesis, Photophysical Properties and DFT analysis of Highly substituted Pyrido Carbazole-based “push pull” chromophores","New J. Chem.","2017","41","16","8242","8252","10.1039/C7NJ00643H","","","0.71073","MoKα","","0.1143","0.0592","","","0.0966","0.116","","","","","","0.993","","","","has coordinates","301851","2025-08-21","20:32:56",""
"7056387","6.7125","0.0003","9.9947","0.0003","15.6535","0.0003","88.139","0.002","87.315","0.002","80.902","0.003","1035.5","0.06","100","0.1","100","0.1","","","","","","","","3","P -1","-P 1","2","4-(3-phenylprop-2-ynoyl)phenyl 4-tert-butylbenzoate (4aj)","4-(3-phenylpropioloyl)phenyl benzoate","","- C26 H22 O3 -","- C26 H22 O3 -","- C52 H44 O6 -","2","1","","Levashov, Andrey; Aksenov, Nicolai A.; Aksenova, Inna V.; Konshin, Valeriy V.","Oxidative coupling of tetraalkynyltin with aldehydes leading to alkynyl ketones","New J. Chem.","2017","41","16","8297","8304","10.1039/C7NJ01376K","","x-ray","1.54184","CuKα","","0.0413","0.0374","","","0.1","0.1038","","","","","","1.037","","","","has coordinates","301851","2025-08-21","20:32:56",""
"7056388","4.6091","0.0005","14.1634","0.0017","24.427","0.003","90","","97.974","0.003","90","","1579.2","0.3","223.1","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H18 N2 O5 -","- C17 H18 N2 O5 -","- C68 H72 N8 O20 -","4","1","","Kulikov, Oleg V.; Sevryugina, Yulia V.; Mehmood, Arshad; Saraogi, Ishu","Characterization of aggregated morphologies derived from mono- and bis-arylbenzamides – potential alpha-helix mimetics","New J. Chem.","2017","41","15","7417","7423","10.1039/C6NJ03775E","","","0.71075","MoKα","","","0.0688","","","","0.1614","","","","","","1.051","","","","has coordinates","301851","2025-08-21","20:32:56",""
"7056389","7.7375","0.0015","8.0667","0.0016","12.449","0.003","86.51","0.03","88.96","0.03","64.82","0.03","701.9","0.3","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H18 N2 O5 -","- C13 H18 N2 O5 -","- C26 H36 N4 O10 -","2","1","","Kulikov, Oleg V.; Sevryugina, Yulia V.; Mehmood, Arshad; Saraogi, Ishu","Characterization of aggregated morphologies derived from mono- and bis-arylbenzamides – potential alpha-helix mimetics","New J. Chem.","2017","41","15","7417","7423","10.1039/C6NJ03775E","","","0.71073","MoKα","","0.0941","0.0504","","","0.1197","0.136","","","","","","1.032","","","","has coordinates","301851","2025-08-21","20:32:56",""
"7056390","10.0873","0.0013","16.344","0.002","41.016","0.005","80.339","0.004","83.426","0.004","72.997","0.004","6359.5","1.4","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C69 H85 N4 O14.5 -","- C69 H85 N4 O14.5 -","- C276 H340 N16 O58 -","4","2","","Kulikov, Oleg V.; Sevryugina, Yulia V.; Mehmood, Arshad; Saraogi, Ishu","Characterization of aggregated morphologies derived from mono- and bis-arylbenzamides – potential alpha-helix mimetics","New J. Chem.","2017","41","15","7417","7423","10.1039/C6NJ03775E","","","0.71073","MoKα","","0.126","0.1055","","","0.2567","0.2745","","","","","","1.073","","","","has coordinates,has disorder","301851","2025-08-21","20:32:56",""
"7056391","8.4076","0.0003","37.3169","0.0017","21.4037","0.001","90","","95.689","0.001","90","","6682.2","0.5","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","none","dimethyl 4,4'-((4,4'-((2,7-di-tert-butyl-9,9-dimethyl-9H- xanthene-4,5-dicarbonyl)bis(azanediyl)) bis(3-isobutoxybenzoyl))bis(azanediyl)) bis(3-isobutoxybenzoate)","","- C71 H86 N4 O13 -","- C71 H86 N4 O13 -","- C284 H344 N16 O52 -","4","1","","Kulikov, Oleg V.; Sevryugina, Yulia V.; Mehmood, Arshad; Saraogi, Ishu","Characterization of aggregated morphologies derived from mono- and bis-arylbenzamides – potential alpha-helix mimetics","New J. Chem.","2017","41","15","7417","7423","10.1039/C6NJ03775E","","","0.71073","MoKα","","0.0584","0.0514","","","0.1257","0.1325","","","","","","1.061","","","","has coordinates,has disorder","301442","2025-08-04","07:26:07",""
"7056392","15.5078","0.0006","8.1447","0.0003","29.4236","0.001","90","","93.075","0.003","90","","3711","0.2","293","","293","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C30 H32 Cl7 N3 P Ru S -","- C30 H32 Cl7 N3 P Ru S -","- C120 H128 Cl28 N12 P4 Ru4 S4 -","4","1","","Devagi, Ganesan; Reyhaneh, Farghadani; Dallemer, Frederic; Jayakumar, Rajarajeswaran; Palaniappan, kalaivani; Prabhakaran, Rathinasabapathi","Morphological and in vitro evaluation of programmed cell death in MCF-7 cells by new organoruthenium(II) complexes","New J. Chem.","2017","41","16","8620","8636","10.1039/C7NJ01707C","","x-ray","0.71073","MoKα","","0.0899","0.0598","","","0.1104","0.12","","","","","","1.07","","","","has coordinates,has disorder","301851","2025-08-21","20:32:56",""
"7056393","35.076","0.003","10.0258","0.0006","8.8087","0.0005","90","","94.027","0.006","90","","3090.1","0.4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C15 H13 F3 N4 O3 -","- C15 H13 F3 N4 O3 -","- C120 H104 F24 N32 O24 -","8","1","","Chen, Mimi; Zhou, Zhengwei; Suo, Yaxiong; Li, Mengyao; Yao, Jianhua; Peng, Ling; Xia, Yi","Acyclonucleosides Bearing Coplanar Arylethynyltriazole Nucleobases: Synthesis, Structural Analysis and Biological Evaluation","New J. Chem.","2017","41","16","8509","8519","10.1039/C7NJ01406F","","","0.71073","MoKα","","0.0693","0.0545","","","0.1397","0.1516","","","","","","1.07","","","","has coordinates,has disorder","301851","2025-08-21","20:32:56",""
"7056394","17.568","0.0009","9.9977","0.0005","8.8328","0.0005","90","","104.264","0.006","90","","1503.56","0.14","294","2","294","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H16 N4 O4 -","- C15 H16 N4 O4 -","- C60 H64 N16 O16 -","4","1","","Chen, Mimi; Zhou, Zhengwei; Suo, Yaxiong; Li, Mengyao; Yao, Jianhua; Peng, Ling; Xia, Yi","Acyclonucleosides Bearing Coplanar Arylethynyltriazole Nucleobases: Synthesis, Structural Analysis and Biological Evaluation","New J. Chem.","2017","41","16","8509","8519","10.1039/C7NJ01406F","","","0.71073","MoKα","","0.0803","0.0518","","","0.1228","0.1418","","","","","","1.052","","","","has coordinates","301851","2025-08-21","20:32:56",""
"7056395","11.4857","0.0007","6.9956","0.0004","33.95","0.003","90","","90","","90","","2727.9","0.3","175","2","175","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H14 N4 O3 -","- C14 H14 N4 O3 -","- C112 H112 N32 O24 -","8","1","","Chen, Mimi; Zhou, Zhengwei; Suo, Yaxiong; Li, Mengyao; Yao, Jianhua; Peng, Ling; Xia, Yi","Acyclonucleosides Bearing Coplanar Arylethynyltriazole Nucleobases: Synthesis, Structural Analysis and Biological Evaluation","New J. Chem.","2017","41","16","8509","8519","10.1039/C7NJ01406F","","","0.71073","MoKα","","0.0596","0.0487","","","0.1321","0.1368","","","","","","1.165","","","","has coordinates","301851","2025-08-21","20:32:56",""
"7056396","11.311","0.0005","11.3185","0.0005","11.4135","0.0005","61.842","0.002","67.726","0.002","78.709","0.002","1191.88","0.1","296","2","296","2","","","","","","","","5","P -1","-P 1","2","[Cu(L)(ac)]2(solv) (complex 3)","","","- C46 H66 Cu2 N2 O12 -","- C46 H66 Cu2 N2 O12 -","- C46 H66 Cu2 N2 O12 -","1","0.5","","Sanyal, Ria; Ketkov, Sergey Yu.; Purkait, Suranjana; Mautner, Franz Andreas; Zhigulin, Grigory; Das, Debasis","Nuclearity dependent solvent contribution on the catechol oxidase activity of novel Copper(II) complexes derived from Mannich-base ligand platforms: synthesis, crystal structure and mechanism","New J. Chem.","2017","41","16","8586","8597","10.1039/C7NJ00425G","","","0.71073","MoKα","","0.0392","0.0332","","","0.1016","0.1071","","","","","","1.073","","","","has coordinates","301851","2025-08-21","20:32:56",""
"7056397","15.8284","0.0004","12.343","0.0003","16.6575","0.0004","90","","90","","90","","3254.37","0.14","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","[Cu(L)Br]2 (complex 4)","","","- C28 H44 Br2 Cu2 N2 O6 -","- C28 H44 Br2 Cu2 N2 O6 -","- C112 H176 Br8 Cu8 N8 O24 -","4","0.5","","Sanyal, Ria; Ketkov, Sergey Yu.; Purkait, Suranjana; Mautner, Franz Andreas; Zhigulin, Grigory; Das, Debasis","Nuclearity dependent solvent contribution on the catechol oxidase activity of novel Copper(II) complexes derived from Mannich-base ligand platforms: synthesis, crystal structure and mechanism","New J. Chem.","2017","41","16","8586","8597","10.1039/C7NJ00425G","","","0.71073","MoKα","","0.0811","0.0437","","","0.0782","0.0931","","","","","","1.038","","","","has coordinates","301442","2025-08-04","07:26:08",""
"7056398","9.2173","0.0006","15.4782","0.001","11.0439","0.0007","90","","95.457","0.002","90","","1568.46","0.17","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","[Cu(L)Cl]2 (complex 5)","","","- C28 H44 Cl2 Cu2 N2 O6 -","- C28 H44 Cl2 Cu2 N2 O6 -","- C56 H88 Cl4 Cu4 N4 O12 -","2","0.5","","Sanyal, Ria; Ketkov, Sergey Yu.; Purkait, Suranjana; Mautner, Franz Andreas; Zhigulin, Grigory; Das, Debasis","Nuclearity dependent solvent contribution on the catechol oxidase activity of novel Copper(II) complexes derived from Mannich-base ligand platforms: synthesis, crystal structure and mechanism","New J. Chem.","2017","41","16","8586","8597","10.1039/C7NJ00425G","","","0.71073","MoKα","","0.0784","0.0511","","","0.1302","0.1537","","","","","","1.068","","","","has coordinates","301442","2025-08-04","07:26:08",""
"7056399","12.548","0.0016","12.7661","0.0016","22.424","0.003","92.579","0.006","93.385","0.006","117.938","0.005","3157.1","0.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","(Cu4-Complex 1)","","","- C101 H176 Cu8 N8 O39 -","- C101 H176 Cu8 N8 O39 -","- C101 H176 Cu8 N8 O39 -","1","0.5","","Sanyal, Ria; Ketkov, Sergey Yu.; Purkait, Suranjana; Mautner, Franz Andreas; Zhigulin, Grigory; Das, Debasis","Nuclearity dependent solvent contribution on the catechol oxidase activity of novel Copper(II) complexes derived from Mannich-base ligand platforms: synthesis, crystal structure and mechanism","New J. Chem.","2017","41","16","8586","8597","10.1039/C7NJ00425G","","","0.71073","MoKα","","0.1814","0.1117","","","0.2889","0.3432","","","","","","1.021","","","","has coordinates,has disorder","301442","2025-08-04","07:26:08",""
"7056400","9.1226","0.0007","11.7431","0.0008","29.958","0.002","90","","90","","90","","3209.3","0.4","296","2","296","2","","","","","","","","6","P n c a","-P 2a 2n","60","(complex 2)","","","- C21 H40 Cl2 Cu2 N2 O15 -","- C21 H40 Cl2 Cu2 N2 O14.9 -","- C84 H160 Cl8 Cu8 N8 O59.6 -","4","0.5","","Sanyal, Ria; Ketkov, Sergey Yu.; Purkait, Suranjana; Mautner, Franz Andreas; Zhigulin, Grigory; Das, Debasis","Nuclearity dependent solvent contribution on the catechol oxidase activity of novel Copper(II) complexes derived from Mannich-base ligand platforms: synthesis, crystal structure and mechanism","New J. Chem.","2017","41","16","8586","8597","10.1039/C7NJ00425G","","","0.71073","MoKα","","0.128","0.1038","","","0.2923","0.3141","","","","","","1.109","","","","has coordinates,has disorder","301442","2025-08-04","07:26:08",""
"7056401","10.2706","0.0002","11.8221","0.0003","17.2366","0.0003","104.385","0.0014","95.617","0.0014","109.568","0.0013","1872.19","0.07","295","","295","","","","","","","","","5","P -1","-P 1","2","","","","- C38 H52 Cu N2 O6 -","- C38 H50 Cu N2 O6 -","- C76 H100 Cu2 N4 O12 -","2","1","","Kumar, Santosh; Garg, Shipra; Sharma, Raj Pal; Venugoplan, Paloth; Tenti, Lorenzo; Ferretti, Valeria; Nivelle, Laetitia; Tarpin, Michel; Guillon, Emmanuel","Four monomeric copper(II) complexes of non-steroidal anti-inflammatory drug Ibuprofen and N-donor ligands: Syntheses, characterization, crystal structures and cytotoxicity studies.","New J. Chem.","2017","41","16","8253","8262","10.1039/C7NJ00247E","","","0.71073","MoKα","","0.0647","0.049","","","0.1351","0.1452","","","","","","1.042","","","","has coordinates","301442","2025-08-04","07:26:08",""
"7056402","16.5388","0.0004","6.1918","0.0001","17.4653","0.0004","90","","94.803","0.0014","90","","1782.25","0.07","295","","295","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H56 Cu N2 O6 -","- C34 H56 Cu N2 O6 -","- C68 H112 Cu2 N4 O12 -","2","0.5","","Kumar, Santosh; Garg, Shipra; Sharma, Raj Pal; Venugoplan, Paloth; Tenti, Lorenzo; Ferretti, Valeria; Nivelle, Laetitia; Tarpin, Michel; Guillon, Emmanuel","Four monomeric copper(II) complexes of non-steroidal anti-inflammatory drug Ibuprofen and N-donor ligands: Syntheses, characterization, crystal structures and cytotoxicity studies.","New J. Chem.","2017","41","16","8253","8262","10.1039/C7NJ00247E","","","0.71073","MoKα","","0.0711","0.0548","","","0.1423","0.1572","","","","","","1.064","","","","has coordinates,has disorder","301442","2025-08-04","07:26:08",""
"7056403","9.4147","0.0002","11.8811","0.0003","17.5005","0.0004","95.564","0.001","103.187","0.001","103.464","0.001","1830.12","0.07","295","","295","","","","","","","","","5","P -1","-P 1","2","","","","- C38 H50 Cu N2 O5 -","- C38 H50 Cu N2 O5 -","- C76 H100 Cu2 N4 O10 -","2","1","","Kumar, Santosh; Garg, Shipra; Sharma, Raj Pal; Venugoplan, Paloth; Tenti, Lorenzo; Ferretti, Valeria; Nivelle, Laetitia; Tarpin, Michel; Guillon, Emmanuel","Four monomeric copper(II) complexes of non-steroidal anti-inflammatory drug Ibuprofen and N-donor ligands: Syntheses, characterization, crystal structures and cytotoxicity studies.","New J. Chem.","2017","41","16","8253","8262","10.1039/C7NJ00247E","","","0.71073","MoKα","","0.0715","0.056","","","0.1586","0.169","","","","","","1.079","","","","has coordinates","301851","2025-08-21","20:32:56",""
"7056404","9.4147","0.0002","11.8811","0.0003","17.5005","0.0004","95.564","0.001","103.187","0.001","103.464","0.001","1830.12","0.07","295","","295","","","","","","","","","5","P -1","-P 1","2","","","","- C38 H50 Cu N2 O5 -","- C38 H50 Cu N2 O5 -","- C76 H100 Cu2 N4 O10 -","2","1","","Kumar, Santosh; Garg, Shipra; Sharma, Raj Pal; Venugoplan, Paloth; Tenti, Lorenzo; Ferretti, Valeria; Nivelle, Laetitia; Tarpin, Michel; Guillon, Emmanuel","Four monomeric copper(II) complexes of non-steroidal anti-inflammatory drug Ibuprofen and N-donor ligands: Syntheses, characterization, crystal structures and cytotoxicity studies.","New J. Chem.","2017","41","16","8253","8262","10.1039/C7NJ00247E","","","0.71073","MoKα","","0.0712","0.0558","","","0.1587","0.1695","","","","","","1.065","","","","has coordinates","301851","2025-08-21","20:32:56",""
"7056405","10.1145","0.0008","12.2682","0.001","12.3933","0.0009","72.208","0.002","75.931","0.002","83.695","0.002","1419.32","0.19","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H20 Gd2 N4 O14 S3 -","- C24 H20 Gd2 N4 O14 S3 -","- C48 H40 Gd4 N8 O28 S6 -","2","1","","Zheng, Teng-Fei; Yao, Shu-Li; Cao, Chen; Liu, Sui-Jun; Hu, Hui-Kang; Zhang, Tao; Huang, Hai-Ping; Liao, Jin-Sheng; Chen, Jing-Lin; Wen, He-Rui","Large magnetic entropy changes in three GdIII coordination polymers containing GdIII chains","New J. Chem.","2017","41","16","8598","8603","10.1039/C7NJ01463E","","","0.71073","MoKα","","0.0742","0.0522","","","0.1315","0.1382","","","","","","1.09","","","","has coordinates","301442","2025-08-04","07:26:08",""
"7056406","7.963","0.0009","14.9838","0.0016","19.642","0.002","90","","94.281","0.002","90","","2337.1","0.4","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C15 H30 Gd2 O18 -","- C15 H30 Gd2 O18 -","- C60 H120 Gd8 O72 -","4","0.5","","Zheng, Teng-Fei; Yao, Shu-Li; Cao, Chen; Liu, Sui-Jun; Hu, Hui-Kang; Zhang, Tao; Huang, Hai-Ping; Liao, Jin-Sheng; Chen, Jing-Lin; Wen, He-Rui","Large magnetic entropy changes in three GdIII coordination polymers containing GdIII chains","New J. Chem.","2017","41","16","8598","8603","10.1039/C7NJ01463E","","","0.71073","MoKα","","0.024","0.0219","","","0.042","0.0425","","","","","","1.228","","","","has coordinates,has disorder","301442","2025-08-04","07:26:09",""
"7056407","36.202","0.007","15.391","0.003","29.655","0.006","90","","90","","90","","16523","6","273","2","273","2","","","","","","","","6","P c c a","-P 2a 2ac","54","","","","- C42 H31 Eu N O8 P -","- C42 H31 Eu N O8 P -","- C336 H248 Eu8 N8 O64 P8 -","8","1","","Katagiri, Kosuke; Matsuo, Naoya; Kawahata, Masatoshi; Masu, Hyuma; Yamaguchi, Kentaro","Aqua Coordination to Attenuate the Luminescence Properties of Europium(III)-Phosphine Oxide Porous Coordination Polymers","New J. Chem.","2017","41","16","8305","8311","10.1039/C7NJ00637C","","","0.8","Synchrotron","","0.0661","0.0515","","","0.1599","0.1798","","","","","","0.718","","","","has coordinates","301442","2025-08-04","07:26:09",""
"7056408","36.205","0.007","15.379","0.003","29.692","0.006","90","","90","","90","","16532","6","273","2","273","2","","","","","","","","6","P c c a","-P 2a 2ac","54","","","","- C41.28 H29.31 Eu N0.76 O8 P -","- C41.274 H29.306 Eu N0.758 O8 P -","- C330.192 H234.448 Eu8 N6.064 O64 P8 -","8","1","","Katagiri, Kosuke; Matsuo, Naoya; Kawahata, Masatoshi; Masu, Hyuma; Yamaguchi, Kentaro","Aqua Coordination to Attenuate the Luminescence Properties of Europium(III)-Phosphine Oxide Porous Coordination Polymers","New J. Chem.","2017","41","16","8305","8311","10.1039/C7NJ00637C","","","0.8","Synchrotron","","0.0515","0.0428","","","0.1318","0.1378","","","","","","1.094","","","","has coordinates,has disorder","301442","2025-08-04","07:26:09",""
"7056409","7.484","0.0004","7.8907","0.0004","10.2465","0.0005","90","","93.122","0.003","90","","604.2","0.05","296","","296","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C3 H5 N9 O12 -","- C3 H5 N9 O12 -","- C6 H10 N18 O24 -","2","1","","Liu, Tianlin; Qi, Xiujuan; Wang, Kangcai; Zhang, Jiaheng; Zhang, Wenquan; Zhang, Qinghua","Green primary energetic materials based on N-(3-nitro-1-(trinitromethyl)-1H-1,2,4-triazol-5-yl)nitramide","New J. Chem.","2017","41","17","9070","9076","10.1039/C7NJ01917C","","","0.71073","MoKα","","0.0379","0.0314","","","0.0867","0.1263","","","","","","1.261","","","","has coordinates","301851","2025-08-21","20:32:56",""
"7056410","23.003","0.002","6.749","0.0007","19.422","0.002","90","","90","","90","","3015.2","0.5","296.15","","296.15","","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C5 H5 N13 O10 -","- C5 H5 N13 O10 -","- C40 H40 N104 O80 -","8","2","","Liu, Tianlin; Qi, Xiujuan; Wang, Kangcai; Zhang, Jiaheng; Zhang, Wenquan; Zhang, Qinghua","Green primary energetic materials based on N-(3-nitro-1-(trinitromethyl)-1H-1,2,4-triazol-5-yl)nitramide","New J. Chem.","2017","41","17","9070","9076","10.1039/C7NJ01917C","","","0.71073","MoKα","","0.1222","0.0602","","","0.1454","0.1774","","","","","","1.006","","","","has coordinates","301442","2025-08-04","07:26:09",""
"7056411","12.264","0.005","20.048","0.007","12.605","0.005","90","","98.056","0.017","90","","3069","2","296.15","","296.15","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C4 H4 N14 O10 -","- C4 H4 N14 O10 -","- C32 H32 N112 O80 -","8","1","","Liu, Tianlin; Qi, Xiujuan; Wang, Kangcai; Zhang, Jiaheng; Zhang, Wenquan; Zhang, Qinghua","Green primary energetic materials based on N-(3-nitro-1-(trinitromethyl)-1H-1,2,4-triazol-5-yl)nitramide","New J. Chem.","2017","41","17","9070","9076","10.1039/C7NJ01917C","","","0.71073","MoKα","","0.1142","0.0534","","","0.1195","0.1469","","","","","","1.001","","","","has coordinates,has disorder","301442","2025-08-04","07:26:09",""
"7056412","9.2722","0.0011","13.486","0.0016","12.5676","0.0015","90","","90","","90","","1571.5","0.3","296.15","","296.15","","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C5 H6 N14 O10 -","- C5 H6 N14 O10 -","- C20 H24 N56 O40 -","4","1","","Liu, Tianlin; Qi, Xiujuan; Wang, Kangcai; Zhang, Jiaheng; Zhang, Wenquan; Zhang, Qinghua","Green primary energetic materials based on N-(3-nitro-1-(trinitromethyl)-1H-1,2,4-triazol-5-yl)nitramide","New J. Chem.","2017","41","17","9070","9076","10.1039/C7NJ01917C","","","0.71073","MoKα","","0.0726","0.0432","","","0.0818","0.0927","","","","","","1.008","","","","has coordinates","301851","2025-08-21","20:32:56",""
"7056413","8.228","0.0004","7.3357","0.0003","11.3167","0.0005","90","","94.923","0.003","90","","680.54","0.05","296","2","296.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C3 H7 N11 O11 -","- C3 H7 N11 O11 -","- C6 H14 N22 O22 -","2","1","","Liu, Tianlin; Qi, Xiujuan; Wang, Kangcai; Zhang, Jiaheng; Zhang, Wenquan; Zhang, Qinghua","Green primary energetic materials based on N-(3-nitro-1-(trinitromethyl)-1H-1,2,4-triazol-5-yl)nitramide","New J. Chem.","2017","41","17","9070","9076","10.1039/C7NJ01917C","","","0.71073","MoKα","","0.0505","0.0369","","","0.0735","0.0776","","","","","","0.956","","","","has coordinates,has disorder","301851","2025-08-21","20:32:56",""
"7056414","7.8388","0.0015","7.873","0.0015","10.987","0.002","90","","90.413","0.011","90","","678","0.2","296","2","296.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C3 H6 N10 O12 -","- C3 H6 N10 O12 -","- C6 H12 N20 O24 -","2","1","","Liu, Tianlin; Qi, Xiujuan; Wang, Kangcai; Zhang, Jiaheng; Zhang, Wenquan; Zhang, Qinghua","Green primary energetic materials based on N-(3-nitro-1-(trinitromethyl)-1H-1,2,4-triazol-5-yl)nitramide","New J. Chem.","2017","41","17","9070","9076","10.1039/C7NJ01917C","","","0.71073","MoKα","","0.0669","0.0426","","","0.1068","0.121","","","","","","1.006","","","","has coordinates,has disorder","301851","2025-08-21","20:32:56",""
"7056415","7.4594","0.0001","7.8789","0.0002","10.4774","0.0002","90","","90.745","0.001","90","","615.72","0.02","170","","170","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C3 H2 K N9 O11 -","- C3 H2 K N9 O11 -","- C6 H4 K2 N18 O22 -","2","1","","Liu, Tianlin; Qi, Xiujuan; Wang, Kangcai; Zhang, Jiaheng; Zhang, Wenquan; Zhang, Qinghua","Green primary energetic materials based on N-(3-nitro-1-(trinitromethyl)-1H-1,2,4-triazol-5-yl)nitramide","New J. Chem.","2017","41","17","9070","9076","10.1039/C7NJ01917C","","","0.71073","MoKα","","0.0298","0.0257","","","0.0543","0.0562","","","","","","1.033","","","","has coordinates,has disorder","301442","2025-08-04","07:26:09",""
"7056416","7.5643","0.0007","8.0022","0.0007","10.6515","0.001","90","","91.239","0.002","90","","644.6","0.1","296.15","","296.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C3 H6 N10 O11 -","- C3 H6 N10 O11 -","- C6 H12 N20 O22 -","2","1","","Liu, Tianlin; Qi, Xiujuan; Wang, Kangcai; Zhang, Jiaheng; Zhang, Wenquan; Zhang, Qinghua","Green primary energetic materials based on N-(3-nitro-1-(trinitromethyl)-1H-1,2,4-triazol-5-yl)nitramide","New J. Chem.","2017","41","17","9070","9076","10.1039/C7NJ01917C","","","0.71073","MoKα","","0.0482","0.0355","","","0.0739","0.0796","","","","","","1.023","","","","has coordinates,has disorder","301851","2025-08-21","20:32:56",""
"7056417","6.559","0.005","8.777","0.005","15.493","0.005","94.087","0.005","91.473","0.005","92.143","0.005","888.7","0.9","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H17 N O4 S -","- C19 H17 N O4 S -","- C38 H34 N2 O8 S2 -","2","1","","Laha, Joydev K.; Sharma, Shubhra; Bhimpuria, Rohan A.; Dayal, Neetu; Dubey, Gurudutt; Bharatam, Prasad. V.","Integration of Oxidative Arylation with Sulfonyl Migration: One-Pot Tandem Synthesis of Densely Functionalized (NH)-Pyrroles","New J. Chem.","2017","41","17","8791","8803","10.1039/C7NJ01709J","","","0.71073","MoKα","","0.0935","0.0529","","","0.1151","0.1314","","","","","","1.036","","","","has coordinates","301851","2025-08-21","20:32:56",""
"7056418","14.953","0.002","13.6358","0.0018","11.0501","0.0015","90","","95.389","0.002","90","","2243.1","0.5","223","2","223","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C28 H50 Ca2 Cl4 N16 O17 -","- C28 H44 Ca2 Cl4 N16 O17 -","- C56 H88 Ca4 Cl8 N32 O34 -","2","0.25","","Shen, Yenan; Zou, Lei; Wang, Qiaochun","Template-directed synthesis of cucurbituril analogues using propanediurea as building block","New J. Chem.","2017","41","16","7857","7860","10.1039/C7NJ01669G","","","0.71073","MoKα","","0.0607","0.0554","","","0.1923","0.2019","","","","","","1.099","","","","has coordinates,has disorder","301442","2025-08-04","07:26:09",""
"7056419","19.356","0.003","11.1923","0.0016","26.552","0.004","90","","90","","90","","5752.2","1.5","223","2","223","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C35 H68 Ba2 Cl4 N20 O24 -","- C35 H40 Ba2 Cl4 N20 O24 -","- C140 H160 Ba8 Cl16 N80 O96 -","4","0.5","","Shen, Yenan; Zou, Lei; Wang, Qiaochun","Template-directed synthesis of cucurbituril analogues using propanediurea as building block","New J. Chem.","2017","41","16","7857","7860","10.1039/C7NJ01669G","","","0.71073","MoKα","","0.0647","0.0563","","","0.1527","0.1577","","","","","","1.199","","","","has coordinates","301442","2025-08-04","07:26:09",""
"7056420","17.3533","0.0006","9.0977","0.0003","17.7828","0.0006","90","","118.702","0.001","90","","2462.51","0.15","100","2","100","2","","","","","","","synthesis as described","6","C 1 2/c 1","-C 2yc","15","","","","- C18 H26 Cl4 Cu2 N6 S2 -","- C18 H26 Cl4 Cu2 N6 S2 -","- C72 H104 Cl16 Cu8 N24 S8 -","4","0.5","","Torres-García, Pablo; Luna-Giles, Francisco; Garcia, Bernalte; Platas-Iglesias, Carlos; Esteban-Gómez, David; Vinuelas-Zahinos, E.","Effects of the substituents of pyrazole/thiazine ligands on the magnetic properties of chloro-bridged Cu(II) complexes","New J. Chem.","2017","41","17","8818","8827","10.1039/C7NJ01581J","","x-ray","0.71073","MoKα","","0.0285","0.0228","","","0.0517","0.0536","","","","","","1.022","","","","has coordinates","301442","2025-08-04","07:26:09",""
"7056421","7.5613","0.0003","17.6501","0.0007","18.5075","0.0007","90","","90","","90","","2469.97","0.17","100","2","100","2","","","","","","","synthesis as described","6","P b c a","-P 2ac 2ab","61","","","","- C9 H13 Cl2 Cu N3 S -","- C9 H13 Cl2 Cu N3 S -","- C72 H104 Cl16 Cu8 N24 S8 -","8","1","","Torres-García, Pablo; Luna-Giles, Francisco; Garcia, Bernalte; Platas-Iglesias, Carlos; Esteban-Gómez, David; Vinuelas-Zahinos, E.","Effects of the substituents of pyrazole/thiazine ligands on the magnetic properties of chloro-bridged Cu(II) complexes","New J. Chem.","2017","41","17","8818","8827","10.1039/C7NJ01581J","","x-ray","0.71073","MoKα","","0.0227","0.0204","","","0.0535","0.0545","","","","","","1.169","","","","has coordinates","301442","2025-08-04","07:26:09",""
"7056422","17.2598","0.0014","8.9759","0.0007","14.2902","0.0012","90","","106.6","0.001","90","","2121.6","0.3","298","2","298","2","","","","","","","synthesis as described","6","C 1 2/c 1","-C 2yc","15","","","","- C14 H18 Cl4 Cu2 N6 S2 -","- C14 H18 Cl4 Cu2 N6 S2 -","- C56 H72 Cl16 Cu8 N24 S8 -","4","0.5","","Torres-García, Pablo; Luna-Giles, Francisco; Garcia, Bernalte; Platas-Iglesias, Carlos; Esteban-Gómez, David; Vinuelas-Zahinos, E.","Effects of the substituents of pyrazole/thiazine ligands on the magnetic properties of chloro-bridged Cu(II) complexes","New J. Chem.","2017","41","17","8818","8827","10.1039/C7NJ01581J","","x-ray","0.71073","MoKα","","0.0429","0.0396","","","0.1001","0.1021","","","","","","1.111","","","","has coordinates","301442","2025-08-04","07:26:09",""
"7056423","6.34","0.005","15.756","0.005","19.015","0.005","90","0.005","98.637","0.005","90","0.005","1877.9","1.7","110","2","110","2","","","","","","","synthesis as described","6","P 1 21/n 1","-P 2yn","14","","","","- C38 H34 Cl4 Cu2 N6 S2 -","- C38 H34 Cl4 Cu2 N6 S2 -","- C76 H68 Cl8 Cu4 N12 S4 -","2","0.5","","Torres-García, Pablo; Luna-Giles, Francisco; Garcia, Bernalte; Platas-Iglesias, Carlos; Esteban-Gómez, David; Vinuelas-Zahinos, E.","Effects of the substituents of pyrazole/thiazine ligands on the magnetic properties of chloro-bridged Cu(II) complexes","New J. Chem.","2017","41","17","8818","8827","10.1039/C7NJ01581J","","x-ray","0.71073","MoKα","","0.0656","0.0504","","","0.138","0.1477","","","","","","1.133","","","","has coordinates","301442","2025-08-04","07:26:09",""
"7056424","17.9439","0.0013","9.4204","0.0007","9.7121","0.0007","90","","96.528","0.001","90","","1631.1","0.2","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- Cd5 H10 O20 P4 -","- Cd5 H10 O20 P4 -","- Cd20 H40 O80 P16 -","4","0.5","","Zhang, Jun; Su, Jian; Zhao, Meng; Xie, Wenjie; Jin, Jie; Xie, Fazhi; Song, Xiaojie; Zhang, Sheng-Yi; Wu, Jieying; Tian, Yupeng","A series of novel Cadmium(II) coordination polymers with photoluminescence and ferroelectric properties based on zwitterionic ligand","New J. Chem.","2017","41","17","9152","9158","10.1039/C7NJ00524E","","","0.71073","MoKα","","0.0241","0.0204","","","0.0461","0.0473","","","","","","1.091","","","","has coordinates","301442","2025-08-04","07:26:09",""
"7056425","10.5785","0.0005","11.2277","0.0005","15.2628","0.0007","97.333","0.001","93.227","0.001","108.16","0.001","1699.51","0.14","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C35 H36 Cd N3 O14 -","- C35 H36 Cd N3 O14 -","- C70 H72 Cd2 N6 O28 -","2","1","","Zhang, Jun; Su, Jian; Zhao, Meng; Xie, Wenjie; Jin, Jie; Xie, Fazhi; Song, Xiaojie; Zhang, Sheng-Yi; Wu, Jieying; Tian, Yupeng","A series of novel Cadmium(II) coordination polymers with photoluminescence and ferroelectric properties based on zwitterionic ligand","New J. Chem.","2017","41","17","9152","9158","10.1039/C7NJ00524E","","","0.71073","MoKα","","0.0367","0.0336","","","0.0839","0.086","","","","","","1.049","","","","has coordinates,has disorder","301442","2025-08-04","07:26:10",""
"7056426","28.471","0.0014","16.1958","0.0008","11.4266","0.0005","90","","104.318","0.001","90","","5105.3","0.4","296","2","296","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C96 H89.4 Cd5 N8 O45.7 -","- C96 H89.4 Cd5 N8 O45.71 -","- C192 H178.8 Cd10 N16 O91.42 -","2","0.5","","Zhang, Jun; Su, Jian; Zhao, Meng; Xie, Wenjie; Jin, Jie; Xie, Fazhi; Song, Xiaojie; Zhang, Sheng-Yi; Wu, Jieying; Tian, Yupeng","A series of novel Cadmium(II) coordination polymers with photoluminescence and ferroelectric properties based on zwitterionic ligand","New J. Chem.","2017","41","17","9152","9158","10.1039/C7NJ00524E","","","0.71073","MoKα","","0.0637","0.0591","","","0.1648","0.1694","","","","","","1.042","","","","has coordinates,has disorder","301442","2025-08-04","07:26:10",""
"7056427","8.1048","0.0003","16.4602","0.0007","24.4695","0.0012","90","","95.214","0.004","90","","3250.9","0.2","294","2","294","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C31 H37 Cu N7 O8 -","- C31 H37 Cu N7 O8 -","- C124 H148 Cu4 N28 O32 -","4","1","","Yilmaz, Veysel T.; Icsel, Ceyda; Suyunova, Feruza; Aygün, Muhittin; Cevatemre, Buse; Ulukaya, Engin","Synthesis, structures, DNA/protein binding, molecular docking, anticancer activity and ROS generation of Ni(II), Cu(II) and Zn(II) 5,5-diethylbarbiturate complexes with bis(2-pyridylmethyl)amine and terpyridine","New J. Chem.","2017","41","16","8092","8106","10.1039/C7NJ00887B","","","0.71073","MoKα","","0.0803","0.0484","","","0.1059","0.1179","","","","","","1.028","","","","has coordinates","301442","2025-08-04","07:26:10",""
"7056428","11.955","0.0003","13.1256","0.0004","19.5245","0.0005","90","","98.522","0.003","90","","3029.89","0.14","294","2","294","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H37 Cu N7 O7 -","- C28 H37 Cu N7 O7 -","- C112 H148 Cu4 N28 O28 -","4","1","","Yilmaz, Veysel T.; Icsel, Ceyda; Suyunova, Feruza; Aygün, Muhittin; Cevatemre, Buse; Ulukaya, Engin","Synthesis, structures, DNA/protein binding, molecular docking, anticancer activity and ROS generation of Ni(II), Cu(II) and Zn(II) 5,5-diethylbarbiturate complexes with bis(2-pyridylmethyl)amine and terpyridine","New J. Chem.","2017","41","16","8092","8106","10.1039/C7NJ00887B","","x-ray","0.71073","MoKα","","0.0527","0.0402","","","0.0982","0.1049","","","","","","1.051","","","","has coordinates,has disorder","301442","2025-08-04","07:26:11",""
"7056429","12.6201","0.0007","12.9945","0.0007","19.5366","0.001","90","","96.576","0.005","90","","3182.8","0.3","294","2","294","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C31 H35 Cu N7 O7 -","- C31 H35 Cu N7 O7 -","- C124 H140 Cu4 N28 O28 -","4","1","","Yilmaz, Veysel T.; Icsel, Ceyda; Suyunova, Feruza; Aygün, Muhittin; Cevatemre, Buse; Ulukaya, Engin","Synthesis, structures, DNA/protein binding, molecular docking, anticancer activity and ROS generation of Ni(II), Cu(II) and Zn(II) 5,5-diethylbarbiturate complexes with bis(2-pyridylmethyl)amine and terpyridine","New J. Chem.","2017","41","16","8092","8106","10.1039/C7NJ00887B","","x-ray","0.71073","MoKα","","0.0572","0.0378","","","0.0873","0.0959","","","","","","1.011","","","","has coordinates","301851","2025-08-21","20:32:56",""
"7056430","12.0293","0.0005","13.1743","0.0006","19.3947","0.0008","90","","97.84","0.004","90","","3044.9","0.2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H37 N7 O7 Zn -","- C28 H37 N7 O7 Zn -","- C112 H148 N28 O28 Zn4 -","4","1","","Yilmaz, Veysel T.; Icsel, Ceyda; Suyunova, Feruza; Aygün, Muhittin; Cevatemre, Buse; Ulukaya, Engin","Synthesis, structures, DNA/protein binding, molecular docking, anticancer activity and ROS generation of Ni(II), Cu(II) and Zn(II) 5,5-diethylbarbiturate complexes with bis(2-pyridylmethyl)amine and terpyridine","New J. Chem.","2017","41","16","8092","8106","10.1039/C7NJ00887B","","x-ray","0.71073","MoKα","","0.0725","0.0445","","","0.0917","0.1043","","","","","","1.034","","","","has coordinates,has disorder","301442","2025-08-04","07:26:11",""
"7056431","12.5914","0.0007","13.0083","0.0007","19.7972","0.0008","90","","97.786","0.005","90","","3212.7","0.3","294","2","294","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C31 H35 N7 Ni O7 -","- C31 H35 N7 Ni O7 -","- C124 H140 N28 Ni4 O28 -","4","1","","Yilmaz, Veysel T.; Icsel, Ceyda; Suyunova, Feruza; Aygün, Muhittin; Cevatemre, Buse; Ulukaya, Engin","Synthesis, structures, DNA/protein binding, molecular docking, anticancer activity and ROS generation of Ni(II), Cu(II) and Zn(II) 5,5-diethylbarbiturate complexes with bis(2-pyridylmethyl)amine and terpyridine","New J. Chem.","2017","41","16","8092","8106","10.1039/C7NJ00887B","","x-ray","0.71073","MoKα","","0.0684","0.0411","","","0.0875","0.0984","","","","","","1.01","","","","has coordinates","301851","2025-08-21","20:32:56",""
"7056432","12.6345","0.0005","13.0965","0.0006","19.4378","0.001","90","","95.957","0.004","90","","3199","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C31 H35 N7 O7 Zn -","- C31 H35 N7 O7 Zn -","- C124 H140 N28 O28 Zn4 -","4","1","","Yilmaz, Veysel T.; Icsel, Ceyda; Suyunova, Feruza; Aygün, Muhittin; Cevatemre, Buse; Ulukaya, Engin","Synthesis, structures, DNA/protein binding, molecular docking, anticancer activity and ROS generation of Ni(II), Cu(II) and Zn(II) 5,5-diethylbarbiturate complexes with bis(2-pyridylmethyl)amine and terpyridine","New J. Chem.","2017","41","16","8092","8106","10.1039/C7NJ00887B","","x-ray","0.71073","MoKα","","0.0527","0.0361","","","0.0805","0.0872","","","","","","1.03","","","","has coordinates","301851","2025-08-21","20:32:56",""
"7056433","10.6756","0.0003","12.8419","0.0004","19.8099","0.0007","101.496","0.003","96.128","0.003","101.12","0.003","2581.45","0.15","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H63 N11 Ni O14 -","- C44 H63 N11 Ni O14 -","- C88 H126 N22 Ni2 O28 -","2","1","","Yilmaz, Veysel T.; Icsel, Ceyda; Suyunova, Feruza; Aygün, Muhittin; Cevatemre, Buse; Ulukaya, Engin","Synthesis, structures, DNA/protein binding, molecular docking, anticancer activity and ROS generation of Ni(II), Cu(II) and Zn(II) 5,5-diethylbarbiturate complexes with bis(2-pyridylmethyl)amine and terpyridine","New J. Chem.","2017","41","16","8092","8106","10.1039/C7NJ00887B","","x-ray","0.71073","MoKα","","0.0744","0.0581","","","0.1527","0.165","","","","","","1.021","","","","has coordinates","301851","2025-08-21","20:32:56",""
"7056434","10.6","0.0002","12.5286","0.0003","14.5861","0.0003","65.447","0.002","78.817","0.002","76.648","0.002","1703.76","0.07","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","bis(N(4)-ortho-chlorophenyl-2-acetylpyridinethiosemicarbazonato)Indium(III)nitrate methanol and water solvate","","- C30 H34 Cl2 In N9 O6 S2 -","- C30 H29 Cl2 In N9 O6 S2 -","- C60 H58 Cl4 In2 N18 O12 S4 -","2","1","","Oliveira, Alexandre Almeida; Franco, Lucas Lopardi; Dos Santos, Raquel Gouvea; Perdigão, Gabriele de Matos Cardoso; Da Silva, Jeferson G.; Souza-Fagundes, Elaine; Beraldo, Heloisa","Neutron activation of In(III) complexes with thiosemicarbazones leads to the production of potential radiopharmaceuticals for the treatment of breast cancer","New J. Chem.","2017","41","17","9041","9050","10.1039/C7NJ01547J","","","0.71073","MoKα","","0.047","0.0404","","","0.1005","0.1056","","","","","","1.151","","","","has coordinates","301442","2025-08-04","07:26:11",""
"7056435","8.814","0.003","9.208","0.003","14.261","0.004","90","","90","","90","","1157.4","0.6","153","2","153","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C3 H2 Cl2 N4 -","- C3 Cl2 N4 -","- C24 Cl16 N32 -","8","1","","Du, Yao; Zhang, Ji-Chuan; peng, Panpan; Su, Hui; Li, Sheng-Hua; Pang, Si-Ping","Synthesis and characterization of three pyrazolate inner diazonium salts: green, powerful and stable primary explosives","New J. Chem.","2017","41","17","9244","9249","10.1039/C7NJ00876G","","","0.71073","MoKα","","0.0396","0.037","","","0.0997","0.1023","","","","","","1.002","","","","has coordinates","301442","2025-08-04","07:26:12",""
"7056436","11.382","0.003","10.234","0.002","12.054","0.003","90","","109.625","0.003","90","","1322.5","0.5","153","2","153","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","4-diazo-3,5-dinitropyrazole","","- C3 H0 N6 O4 -","- C3 N6 O4 -","- C24 N48 O32 -","8","2","","Du, Yao; Zhang, Ji-Chuan; peng, Panpan; Su, Hui; Li, Sheng-Hua; Pang, Si-Ping","Synthesis and characterization of three pyrazolate inner diazonium salts: green, powerful and stable primary explosives","New J. Chem.","2017","41","17","9244","9249","10.1039/C7NJ00876G","","","0.71073","MoKα","","0.0463","0.0368","","","0.0949","0.1018","","","","","","1.001","","","","has coordinates","301442","2025-08-04","07:26:21",""
"7056437","5.5357","0.0004","9.1337","0.0007","11.5261","0.0008","90","","91.852","0.006","90","","582.47","0.07","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","NCDAP","3-nitro-5-carbonyl-4-diazopyrazolate zwitterion","","- C3 H N5 O3 -","- C3 H N5 O3 -","- C12 H4 N20 O12 -","4","1","","Du, Yao; Zhang, Ji-Chuan; peng, Panpan; Su, Hui; Li, Sheng-Hua; Pang, Si-Ping","Synthesis and characterization of three pyrazolate inner diazonium salts: green, powerful and stable primary explosives","New J. Chem.","2017","41","17","9244","9249","10.1039/C7NJ00876G","","x-ray","0.71073","MoKα","","0.0749","0.0456","","","0.0985","0.1135","","","","","","1.085","","","","has coordinates","301442","2025-08-04","07:26:22",""
"7056438","20.047","0.004","11.357","0.002","18.677","0.004","90","","118.51","0.03","90","","3736.6","1.7","170","2","170","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C15 H26 La2 O22 P3 S3 -","- C15 H15 La2 O22 P3 S3 -","- C60 H60 La8 O88 P12 S12 -","4","0.5","","Beyer, Ole; Homburg, Thomas; Albat, Martin; Stock, Norbert; Luening, Ulrich","Synthesis of phosphonosulfonic acid building blocks as linkers for coordination polymers","New J. Chem.","2017","41","17","8870","8876","10.1039/C7NJ01697B","","","0.71073","MoKα","","0.0724","0.0667","","","0.1654","0.1685","","","","","","1.004","","","","has coordinates,has disorder","301442","2025-08-04","07:26:32",""
"7056439","10.498","0.002","11.412","0.003","17.061","0.003","90","","114.079","0.01","90","","1866.1","0.7","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(E)-2-cyano-3-phenylacrylamide","","- C10 H8 N2 O -","- C10 H8 N2 O -","- C80 H64 N16 O8 -","8","2","","Narendar Reddy, Thatikonda; raktani, bikshapathi; Perla, Ramesh; Ravinder, Mettu; Vaidya, Jayathirtha Rao; Nanubolu, Jagadeesh Babu","An efficient catalyst-free one-pot synthesis of primary amides from aldehydes of Baylis-Hillman Reaction","New J. Chem.","2017","41","17","9203","9209","10.1039/C7NJ01965C","","","0.71073","MoKα","","0.1121","0.0692","","","0.1715","0.2091","","","","","","1.099","","","","has coordinates","301851","2025-08-21","20:32:56",""
"7056440","10.0312","0.0007","15.7314","0.0008","11.0525","0.0005","90","","96.436","0.005","90","","1733.15","0.17","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H17 Cl N10 O -","- C14 H17 Cl N10 O -","- C56 H68 Cl4 N40 O4 -","4","1","","Safin, Damir A.; Babashkina, Maria G.; Robeyns, Koen; Garcia, Yann","Organic matrix-induced formation of a discrete cyclic [Cl2(H2O)2]2− cluster","New J. Chem.","2017","41","16","8263","8269","10.1039/C7NJ00700K","","","0.71073","MoKα","","0.1028","0.0538","","","0.1166","0.1462","","","","","","1.059","","","","has coordinates","301851","2025-08-21","20:32:56",""
"7056441","10.9906","0.0005","12.1122","0.0005","13.7302","0.0009","90","","91.889","0.007","90","","1826.78","0.16","293","","293","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H40 Cd2 Cl2 N10 O6 -","- C28 H40 Cd2 Cl2 N10 O6 -","- C56 H80 Cd4 Cl4 N20 O12 -","2","0.5","","Radi, Smaail; El-Massaoudi, Mohamed; Benaissa, Houria; Adarsh, N. N.; Ferbinteanu, Marilena; Devlin, Eamonn; Sanakis, Yiannis; Garcia, Yann","Crystal engineering of a series of complexes and coordination polymers based on pyrazole-carboxylic acid ligands","New J. Chem.","2017","41","16","8232","8241","10.1039/C7NJ01714F","","","0.71075","MoKα","","0.0698","0.0345","","","0.0692","0.0919","","","","","","1.168","","","","has coordinates","301442","2025-08-04","07:26:34",""
"7056442","15.1068","0.0006","9.9563","0.0005","17.5608","0.0012","90","","90","","90","","2641.3","0.2","293","","293","","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C20 H32 Co N6 O7 -","- C20 H34 Co N6 O9 -","- C80 H136 Co4 N24 O36 -","4","0.5","","Radi, Smaail; El-Massaoudi, Mohamed; Benaissa, Houria; Adarsh, N. N.; Ferbinteanu, Marilena; Devlin, Eamonn; Sanakis, Yiannis; Garcia, Yann","Crystal engineering of a series of complexes and coordination polymers based on pyrazole-carboxylic acid ligands","New J. Chem.","2017","41","16","8232","8241","10.1039/C7NJ01714F","","","0.71075","MoKα","","0.17","0.0791","","","0.2068","0.2958","","","","","","1.118","","","","has coordinates","301442","2025-08-04","07:26:34",""
"7056443","8.9476","","9.2599","0.0001","10.2507","0.0002","88.279","0.005","74.957","0.005","72.294","0.004","780.25","0.03","293","","293","","","","","","","","","5","P -1","-P 1","2","","","","- C12 H18 Cu N4 O7 -","- C12 H18 Cu N4 O7 -","- C24 H36 Cu2 N8 O14 -","2","1","","Radi, Smaail; El-Massaoudi, Mohamed; Benaissa, Houria; Adarsh, N. N.; Ferbinteanu, Marilena; Devlin, Eamonn; Sanakis, Yiannis; Garcia, Yann","Crystal engineering of a series of complexes and coordination polymers based on pyrazole-carboxylic acid ligands","New J. Chem.","2017","41","16","8232","8241","10.1039/C7NJ01714F","","","0.71075","MoKα","","0.0441","0.0422","","","0.1148","0.1189","","","","","","1.103","","","","has coordinates","301851","2025-08-21","20:32:56",""
"7056444","8.7238","0.0009","8.907","0.0008","9.5349","0.0009","92.976","0.007","106.274","0.008","111.903","0.008","649.61","0.12","293","","293","","","","","","","","","5","P -1","-P 1","2","","","","- C20 H34 Co N6 O10 -","- C20 H34 Co N6 O10 -","- C20 H34 Co N6 O10 -","1","0.5","","Radi, Smaail; El-Massaoudi, Mohamed; Benaissa, Houria; Adarsh, N. N.; Ferbinteanu, Marilena; Devlin, Eamonn; Sanakis, Yiannis; Garcia, Yann","Crystal engineering of a series of complexes and coordination polymers based on pyrazole-carboxylic acid ligands","New J. Chem.","2017","41","16","8232","8241","10.1039/C7NJ01714F","","","0.71075","MoKα","","0.1437","0.0806","","","0.1787","0.2505","","","","","","1.094","","","","has coordinates","301442","2025-08-04","07:26:34",""
"7056445","17.7066","0.0005","11.8913","0.0003","19.4436","0.0013","90","","111.498","0.008","90","","3809.1","0.4","293","","293","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H44 Cu2 N12 O14 -","- C28 H44 Cu2 N12 O14 -","- C112 H176 Cu8 N48 O56 -","4","1","","Radi, Smaail; El-Massaoudi, Mohamed; Benaissa, Houria; Adarsh, N. N.; Ferbinteanu, Marilena; Devlin, Eamonn; Sanakis, Yiannis; Garcia, Yann","Crystal engineering of a series of complexes and coordination polymers based on pyrazole-carboxylic acid ligands","New J. Chem.","2017","41","16","8232","8241","10.1039/C7NJ01714F","","","0.71075","MoKα","","0.0959","0.0468","","","0.1268","0.1768","","","","","","1.113","","","","has coordinates","301442","2025-08-04","07:26:34",""
"7056446","9.562","0.0019","6.653","0.0013","17.748","0.004","90","","93.05","0.03","90","","1127.5","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H8 Cl I N4 -","- C9 H8 Cl I N4 -","- C36 H32 Cl4 I4 N16 -","4","1","","Wang, Jin-Wen; Chen, Chen; Li, Yao-Jia; Luo, Yang-Hui; Sun, Baiwang","Halogen-bonding contacts determining the crystal structure and fluorescence properties of organic salts","New J. Chem.","2017","41","17","9444","9452","10.1039/C7NJ02034A","","","0.71073","MoKα","","0.0588","0.0429","","","0.1028","0.1101","","","","","","1.008","","","","has coordinates","301851","2025-08-21","20:32:56",""
"7056447","4.281","0.0009","11.572","0.002","19.146","0.004","90","","93.49","0.03","90","","946.7","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C9 H7 Br N4 -","- C9 H7 Br N4 -","- C36 H28 Br4 N16 -","4","1","","Wang, Jin-Wen; Chen, Chen; Li, Yao-Jia; Luo, Yang-Hui; Sun, Baiwang","Halogen-bonding contacts determining the crystal structure and fluorescence properties of organic salts","New J. Chem.","2017","41","17","9444","9452","10.1039/C7NJ02034A","","","0.71073","MoKα","","0.1221","0.0546","","","0.0903","0.1055","","","","","","1.006","","","","has coordinates","301851","2025-08-21","20:32:56",""
"7056448","4.472","0.0009","11.701","0.002","19.032","0.004","90","","95.38","0.03","90","","991.5","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C9 H7 I N4 -","- C9 H7 I N4 -","- C36 H28 I4 N16 -","4","1","","Wang, Jin-Wen; Chen, Chen; Li, Yao-Jia; Luo, Yang-Hui; Sun, Baiwang","Halogen-bonding contacts determining the crystal structure and fluorescence properties of organic salts","New J. Chem.","2017","41","17","9444","9452","10.1039/C7NJ02034A","","","0.71073","MoKα","","0.0797","0.0435","","","0.0935","0.1052","","","","","","1.002","","","","has coordinates","301851","2025-08-21","20:32:56",""
"7056449","8","0.0016","9.886","0.002","14.32","0.003","95.05","0.03","97.8","0.03","105.59","0.03","1071.5","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H15 Br2 Cl N8 O4 -","- C18 H15 Br2 Cl N8 O4 -","- C36 H30 Br4 Cl2 N16 O8 -","2","1","","Wang, Jin-Wen; Chen, Chen; Li, Yao-Jia; Luo, Yang-Hui; Sun, Baiwang","Halogen-bonding contacts determining the crystal structure and fluorescence properties of organic salts","New J. Chem.","2017","41","17","9444","9452","10.1039/C7NJ02034A","","","0.71073","MoKα","","0.1625","0.0896","","","0.217","0.2495","","","","","","1.087","","","","has coordinates","301851","2025-08-21","20:32:56",""
"7056450","7.6676","0.0002","10.8399","0.0004","57.6299","0.0016","90","","90","","90","","4790","0.3","290","2","290","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C25 H33 Fe N O3 S -","- C25 H33 Fe N O3 S -","- C200 H264 Fe8 N8 O24 S8 -","8","2","","Kamenova-Nacheva, Mariana; Schröder, Maria; Pasheva, Evdokia; Slavchev, Ivaylo; Dimitrov, Vladimir; Momekov, Georgi; Petrova, Rosica; Shivachev, Boris Lubomirov; Ugrinova, Iva; Dobrikov, Georgi","Synthesis of ferrocenylmethylidene and arylidene substituted camphane based compounds as potential anticancer agents","New J. Chem.","2017","41","17","9103","9112","10.1039/C7NJ00619E","","x-ray","0.71073","MoKα","","0.0829","0.0603","","","0.137","0.1523","","","","","","1.062","","","","has coordinates,has disorder","301442","2025-08-04","07:26:35",""
"7056451","8.8258","0.0002","6.0141","0.0002","30.3167","0.0008","90","","96.386","0.001","90","","1599.2","0.08","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C40 H44 N4 -","- C40 H44 N4 -","- C80 H88 N8 -","2","0.5","","Madhu, Suresh; Rashmi, E.; Gonnade, Rajesh G.; Sanjayan, G. J.","Exploring Gem-Dimethyl Effect in the Formation of Imine-Based Macrocycles and Cages","New J. Chem.","2017","41","17","8721","8724","10.1039/C7NJ02069D","","","0.71073","MoKα","","0.0562","0.0505","","","0.1179","0.1214","","","","","","1.112","","","","has coordinates","301851","2025-08-21","20:32:56",""
"7056452","24.2039","0.0009","14.9856","0.0006","19.4818","0.0008","90","","98.214","0.001","90","","6993.8","0.5","100","2","100","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","","","- C80 H80 Cl6 N8 -","- C80 H80 Cl6 N8 -","- C320 H320 Cl24 N32 -","4","1","","Madhu, Suresh; Rashmi, E.; Gonnade, Rajesh G.; Sanjayan, G. J.","Exploring Gem-Dimethyl Effect in the Formation of Imine-Based Macrocycles and Cages","New J. Chem.","2017","41","17","8721","8724","10.1039/C7NJ02069D","","","1.54178","CuKα","","0.1031","0.0592","","","0.1402","0.1615","","","","","","1.027","","","","has coordinates","301851","2025-08-21","20:32:56",""
"7056453","16.151","0.0004","17.5803","0.0005","8.6794","0.0002","90","","96.025","0.002","90","","2450.81","0.11","200","2","200","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C64 H60 N4 -","- C64 H60 N4 -","- C128 H120 N8 -","2","0.5","","Madhu, Suresh; Rashmi, E.; Gonnade, Rajesh G.; Sanjayan, G. J.","Exploring Gem-Dimethyl Effect in the Formation of Imine-Based Macrocycles and Cages","New J. Chem.","2017","41","17","8721","8724","10.1039/C7NJ02069D","","","0.71073","MoKα","","0.1032","0.0622","","","0.1133","0.1291","","","","","","1.076","","","","has coordinates","301851","2025-08-21","20:32:56",""
"7056454","9.966","0.0005","20.4442","0.0012","21.3571","0.0012","109.652","0.003","100.622","0.003","98.052","0.003","3930.6","0.4","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C90 H84 N6 -","- C90 H84 N6 -","- C180 H168 N12 -","2","1","","Madhu, Suresh; Rashmi, E.; Gonnade, Rajesh G.; Sanjayan, G. J.","Exploring Gem-Dimethyl Effect in the Formation of Imine-Based Macrocycles and Cages","New J. Chem.","2017","41","17","8721","8724","10.1039/C7NJ02069D","","","1.54178","CuKα","","0.111","0.0739","","","0.1935","0.2142","","","","","","1.016","","","","has coordinates","301851","2025-08-21","20:32:56",""
"7056455","16.593","0.002","17.657","0.002","17.872","0.003","102.17","0.005","92.478","0.007","98.25","0.004","5050.9","1.2","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C57 H64.5 N7.5 -","- C56 H63 N7 -","- C224 H252 N28 -","4","2","","Madhu, Suresh; Rashmi, E.; Gonnade, Rajesh G.; Sanjayan, G. J.","Exploring Gem-Dimethyl Effect in the Formation of Imine-Based Macrocycles and Cages","New J. Chem.","2017","41","17","8721","8724","10.1039/C7NJ02069D","","","0.71073","MoKα","","0.0519","0.0451","","","0.143","0.1484","","","","","","1.079","","","","has coordinates","301442","2025-08-04","07:26:36",""
"7056456","13.178","0.007","9.598","0.005","28.58","0.016","90","","90","","90","","3615","3","","","296.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C23 H15 F2 N3 O2 -","- C23 H15 F2 N3 O2 -","- C184 H120 F16 N24 O16 -","8","1","","Bharadwaj, S. Shashidhar; Poojary, Boja; Madan Kumar, S.; Byrappa, K.; Nagananda, Govinahalli Shivashankara; Chaitanya, Amajala Krishna; Zaveri, Kunal; Yarla, Nagendra Sastry; Shiralgi, Yallappa; Kudva, Avinash K.; Dhananjaya, B. L.","Design, synthesis and pharmacological studies of some new quinoline Schiff bases and 2,5-(disubstituted-[1,3,4])-oxadiazoles","New J. Chem.","2017","41","16","8568","8585","10.1039/C6NJ03913H","","","0.71075","MoKα","","0.1263","0.0844","","","0.1225","0.1441","","","","","","1.143","","","","has coordinates","301851","2025-08-21","20:32:56",""
"7056457","7.592","0.002","6.3812","0.0018","23.954","0.007","90","","95.07","0.004","90","","1155.9","0.6","296","2","296.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C9 H10 Cu F N3 O3 -","- C9 H10 Cu F N3 O3 -","- C36 H40 Cu4 F4 N12 O12 -","4","1","","Ma, Xiaohui; Wu, Yuewei; Cen, Peipei; Ma, Shenru; Zhang, Chengcheng; Luo, Shuchang; Zhou, Huiliang; Song, Weiming; Liu, Xiangyu","Ferromagnetic ordering and slow magnetic relaxation observed in a triple-bridged azido-Cu(II) chain compound with mixed carboxylate/ethanol linkers","New J. Chem.","2017","41","18","9631","9638","10.1039/C7NJ01685A","","","0.71073","MoKα","","0.0625","0.0357","","","0.0779","0.0873","","","","","","1.032","","","","has coordinates,has disorder","301442","2025-08-04","07:26:36",""
"7056458","26.628","0.006","12.917","0.003","26.346","0.006","90","","90","","90","","9062","4","293","2","293","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C36 H5.75 I22 N12 O3 Pb5 -","- C36 H60 I22 N12 O3 Pb5 -","- C144 H240 I88 N48 O12 Pb20 -","4","0.5","","Yu, Hui; Wei, Zhenhong; Hao, Yanhuan; Liang, Zhiwen; Fu, Zhengjiang; Cai, Hu","Reversible solid-state thermochromism of a 2D organic-inorganic hybrid perovskite structure based on iodoplumbate and 2-aminomethyl-pyridine","New J. Chem.","2017","41","18","9586","9589","10.1039/C7NJ02229H","","","0.71073","MoKα","","0.0593","0.0446","","","0.1257","0.147","","","","","","1.058","","","","has coordinates","301442","2025-08-04","07:26:36",""
"7056459","10.5797","0.0014","11.7633","0.0015","30.267","0.004","90","","90","","90","","3766.8","0.9","160","2","160","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C24 H56 N7 O15 Tb -","- C24 H56 N7 O15 Tb -","- C96 H224 N28 O60 Tb4 -","4","0.5","","Zhang, Shi-Yong; Liao, Jin-Sheng; Xu, Wei-Jian; Liang, Fu-Yong; Peng, Guang-Huai; Liu, Sui-Jun; Wen, He-Rui; Du, Zi-Yi","Structural phase transitions, dielectric bistability and luminescence of two bulky ion-pair crystals [N(C3H7)4]2[Ln(NO3)5] (Ln = Tb, Dy)","New J. Chem.","2017","41","18","9963","9968","10.1039/C7NJ01597F","","","0.71073","MoKα","","0.0627","0.0581","","","0.1115","0.1129","","","","","","1.361","","","","has coordinates","301851","2025-08-21","20:32:56",""
"7056460","10.5239","0.0008","11.7488","0.0009","30.109","0.002","90","","90","","90","","3722.8","0.5","100","2","100","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C24 H56 Dy N7 O15 -","- C24 H56 Dy N7 O15 -","- C96 H224 Dy4 N28 O60 -","4","0.5","","Zhang, Shi-Yong; Liao, Jin-Sheng; Xu, Wei-Jian; Liang, Fu-Yong; Peng, Guang-Huai; Liu, Sui-Jun; Wen, He-Rui; Du, Zi-Yi","Structural phase transitions, dielectric bistability and luminescence of two bulky ion-pair crystals [N(C3H7)4]2[Ln(NO3)5] (Ln = Tb, Dy)","New J. Chem.","2017","41","18","9963","9968","10.1039/C7NJ01597F","","","0.71073","MoKα","","0.0509","0.0451","","","0.0831","0.0849","","","","","","1.256","","","","has coordinates","301851","2025-08-21","20:32:56",""
"7056461","10.415","0.0007","15.5947","0.0012","11.9725","0.001","90","","91.203","0.007","90","","1944.1","0.3","293","","293","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H12 Cl Cu N5 S2 -","- C16 H12 Cl Cu N5 S2 -","- C64 H48 Cl4 Cu4 N20 S8 -","4","1","","Naveen, P.; Jain, Ruchi; Kalaivani, P.; Shankar, R.; Dallemer, F.; Prabhakaran, R.","Unpredicted formation of copper(ii) complexes containing 2-thiophen-2-yl-1-thiophen-2-ylmethyl-1H-benzoimidazole and their most promising in vitro cytotoxicity in MCF-7 and HeLa cell lines over cisplatin","New J. Chem.","2017","41","17","8885","8898","10.1039/C7NJ01273J","","x-ray","1.54184","CuKα","","0.1467","0.1049","","","0.3133","0.3486","","","","","","1.191","","","","has coordinates","301442","2025-08-04","07:26:37",""
"7056462","10.6994","0.0003","16.2816","0.0003","9.3721","0.0003","90","","108.915","0.003","90","","1544.49","0.08","293","","293","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H12 Cl Cu0.5 N2 S2 -","- C16 H12 Cl Cu0.5 N2 S2 -","- C64 H48 Cl4 Cu2 N8 S8 -","4","1","","Naveen, P.; Jain, Ruchi; Kalaivani, P.; Shankar, R.; Dallemer, F.; Prabhakaran, R.","Unpredicted formation of copper(ii) complexes containing 2-thiophen-2-yl-1-thiophen-2-ylmethyl-1H-benzoimidazole and their most promising in vitro cytotoxicity in MCF-7 and HeLa cell lines over cisplatin","New J. Chem.","2017","41","17","8885","8898","10.1039/C7NJ01273J","","x-ray","1.54184","CuKα","","0.0497","0.0439","","","0.1242","0.1301","","","","","","1.057","","","","has coordinates,has disorder","301442","2025-08-04","07:26:37",""
"7056463","7.4948","0.0018","10.427","0.002","32.549","0.008","90","","90","","90","","2543.6","1","302","2","302","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H12 N3 O2.5 -","- C14 H12 N3 O2.5 -","- C112 H96 N24 O20 -","8","2","","Patil, Siddappa A.; Kandathil, Vishal; Fahlman, Bradley; S, Sasidhar B; Patil, Shivaputra","A Convenient, Efficient and Reusable N-Heterocyclic Carbene–Palladium(II) Based Catalyst Supported on Magnetite for Suzuki–Miyaura and Mizoroki–Heck Cross-Coupling Reactions","New J. Chem.","2017","41","17","9531","9545","10.1039/C7NJ01876B","","","0.71073","MoKα","","0.0945","0.0541","","","0.1425","0.1605","","","","","","1.017","","","","has coordinates","301851","2025-08-21","20:32:56",""
"7056464","9.834","0.003","5.07","0.002","19.48","0.008","90","","96.32","0.03","90","","965.3","0.6","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H24 N2 O2 -","- C26 H24 N2 O2 -","- C52 H48 N4 O4 -","2","0.5","","Bikas, Rahman; Emami, Marzieh; Ślepokura, Katarzyna; Noshiranzadeh, Nader","Preparing Mn(III) salen-type Schiff base complexes using 1,3-oxazines obtained by Mannich condensation: Towards removing ortho-hydroxyaldehydes","New J. Chem.","2017","41","18","9710","9717","10.1039/C7NJ01562C","","","1.5418","CuKα","","0.1474","0.0727","","","0.1595","0.1756","","","","","","1.008","","","","has coordinates","301851","2025-08-21","20:32:56",""
"7056465","8.561","0.003","11.639","0.004","12.617","0.005","83.1","0.03","79.14","0.03","72.49","0.03","1174.7","0.8","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H26 F2 Mn N3 O7 -","- C22 H26 F2 Mn N3 O7 -","- C44 H52 F4 Mn2 N6 O14 -","2","1","","Bikas, Rahman; Emami, Marzieh; Ślepokura, Katarzyna; Noshiranzadeh, Nader","Preparing Mn(III) salen-type Schiff base complexes using 1,3-oxazines obtained by Mannich condensation: Towards removing ortho-hydroxyaldehydes","New J. Chem.","2017","41","18","9710","9717","10.1039/C7NJ01562C","","","0.71073","MoKα","","0.0547","0.041","","","0.0939","0.0994","","","","","","1.033","","","","has coordinates","301851","2025-08-21","20:32:56",""
"7056466","8.418","0.004","9.004","0.004","14.787","0.004","96.34","0.03","92.01","0.03","103.59","0.04","1080.6","0.8","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H28 Mn N3 O2 S -","- C25 H18 Mn N3 O2 S -","- C50 H36 Mn2 N6 O4 S2 -","2","1","","Bikas, Rahman; Emami, Marzieh; Ślepokura, Katarzyna; Noshiranzadeh, Nader","Preparing Mn(III) salen-type Schiff base complexes using 1,3-oxazines obtained by Mannich condensation: Towards removing ortho-hydroxyaldehydes","New J. Chem.","2017","41","18","9710","9717","10.1039/C7NJ01562C","","","0.71073","MoKα","","0.0912","0.0628","","","0.1481","0.1567","","","","","","1.007","","","","has coordinates","301442","2025-08-04","07:26:38",""
"7056467","8.716","0.003","9.048","0.003","35.845","0.009","90","","95.1","0.03","90","","2815.6","1.5","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H32 Mn N3 O7 -","- C30 H32 Mn N3 O7 -","- C120 H128 Mn4 N12 O28 -","4","1","","Bikas, Rahman; Emami, Marzieh; Ślepokura, Katarzyna; Noshiranzadeh, Nader","Preparing Mn(III) salen-type Schiff base complexes using 1,3-oxazines obtained by Mannich condensation: Towards removing ortho-hydroxyaldehydes","New J. Chem.","2017","41","18","9710","9717","10.1039/C7NJ01562C","","","0.71073","MoKα","","0.0673","0.0514","","","0.1404","0.1463","","","","","","1.096","","","","has coordinates,has disorder","301851","2025-08-21","20:32:56",""
"7056468","10.088","0.003","11.208","0.003","34.421","0.009","90","","90","","90","","3891.9","1.9","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C24 H18 Mn N5 O2 -","- C24 H18 Mn N5 O2 -","- C192 H144 Mn8 N40 O16 -","8","1","","Bikas, Rahman; Emami, Marzieh; Ślepokura, Katarzyna; Noshiranzadeh, Nader","Preparing Mn(III) salen-type Schiff base complexes using 1,3-oxazines obtained by Mannich condensation: Towards removing ortho-hydroxyaldehydes","New J. Chem.","2017","41","18","9710","9717","10.1039/C7NJ01562C","","","0.71073","MoKα","","0.1076","0.0597","","","0.114","0.1319","","","","","","1.027","","","","has coordinates","301442","2025-08-04","07:26:38",""
"7056469","14.4223","0.0006","18.043","0.0005","16.9397","0.0006","90","","113.726","0.005","90","","4035.5","0.3","295","2","295","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C89 H73 Cl2 N2 O9 P4 Ru2 S2 -","- C89 H73 Cl2 N2 O9 P4 Ru2 S2 -","- C178 H146 Cl4 N4 O18 P8 Ru4 S4 -","2","0.5","","Kumar, Ramasamy Raj; Ramesh, Rengan; Małecki, Jan Grzegorz","Versatile coordination ability of thioamide ligand in Ru(ii) complexes: synthesis, computational studies, in vitro anticancer activity and apoptosis induction","New J. Chem.","2017","41","17","9130","9141","10.1039/C7NJ01828B","","x-ray","0.71073","MoKα","","0.0639","0.0388","","","0.0772","0.0903","","","","","","1.056","","","","has coordinates","301442","2025-08-04","07:26:38",""
"7056470","10.8253","0.0006","10.6426","0.0006","10.4358","0.0006","90","","101.913","0.006","90","","1176.41","0.12","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H12 N2 O3 S -","- C11 H12 N2 O3 S -","- C44 H48 N8 O12 S4 -","4","1","","Kumar, Ramasamy Raj; Ramesh, Rengan; Małecki, Jan Grzegorz","Versatile coordination ability of thioamide ligand in Ru(ii) complexes: synthesis, computational studies, in vitro anticancer activity and apoptosis induction","New J. Chem.","2017","41","17","9130","9141","10.1039/C7NJ01828B","","x-ray","0.71073","MoKα","","0.0951","0.0577","","","0.1229","0.1419","","","","","","1.015","","","","has coordinates","301851","2025-08-21","20:32:56",""
"7056471","14.918","0.0006","15.6202","0.0006","18.34","0.0009","90","","92.113","0.004","90","","4270.7","0.3","295","2","295","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C48 H42 N2 O4 P2 Ru S -","- C48 H42 N2 O4 P2 Ru S -","- C192 H168 N8 O16 P8 Ru4 S4 -","4","1","","Kumar, Ramasamy Raj; Ramesh, Rengan; Małecki, Jan Grzegorz","Versatile coordination ability of thioamide ligand in Ru(ii) complexes: synthesis, computational studies, in vitro anticancer activity and apoptosis induction","New J. Chem.","2017","41","17","9130","9141","10.1039/C7NJ01828B","","x-ray","0.71073","MoKα","","0.0684","0.0421","","","0.0834","0.0942","","","","","","1.026","","","","has coordinates","301442","2025-08-04","07:26:38",""
"7056472","8.3313","0.0009","12.5035","0.0013","19.8612","0.0018","90","","93.365","0.009","90","","2065.4","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H15 F3 N4 -","- C26 H15 F3 N4 -","- C104 H60 F12 N16 -","4","1","","Boddula, Rajamouli; Devi, Rachna; Mohanty, Abhijeet; Krishnan, Venkata; Vaidyanathan, Sivakumar","Effects of electron withdrawing groups in imidazole-phenanthroline ligands and their influence on photophysical properties of EuIII complexes for white light emitting diodes","New J. Chem.","2017","41","18","9826","9839","10.1039/C7NJ02291C","","x-ray","0.71073","MoKα","","0.0937","0.0738","","","0.2022","0.2224","","","","","","1.063","","","","has coordinates","301851","2025-08-21","20:32:56",""
"7056473","8.8714","0.0008","10.1323","0.001","11.8936","0.0011","100.266","0.008","110.428","0.008","102.53","0.008","939.56","0.18","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C25 H16 N4 -","- C25 H16 N4 -","- C50 H32 N8 -","2","1","","Boddula, Rajamouli; Devi, Rachna; Mohanty, Abhijeet; Krishnan, Venkata; Vaidyanathan, Sivakumar","Effects of electron withdrawing groups in imidazole-phenanthroline ligands and their influence on photophysical properties of EuIII complexes for white light emitting diodes","New J. Chem.","2017","41","18","9826","9839","10.1039/C7NJ02291C","","x-ray","0.71073","MoKα","","0.0879","0.0617","","","0.1559","0.1776","","","","","","1.09","","","","has coordinates","301851","2025-08-21","20:32:56",""
"7056474","9.913","0.0008","10.2709","0.0009","10.8021","0.0009","78.383","0.001","71.218","0.002","67.638","0.001","959.04","0.14","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H17 N O S -","- C25 H17 N O S -","- C50 H34 N2 O2 S2 -","2","1","","Niu , Yahui; Wang, Qin; Wu, Haoran; wang, Yuxiu; Zhang, Yanrong","Experimental and DFT studies of disubstituted 2-(2-hydroxyphenyl)benzothiazole-based fluorophores synthesized by Suzuki coupling","New J. Chem.","2017","41","18","9796","9805","10.1039/C7NJ01525A","","","0.71073","MoKα","","0.066","0.0426","","","0.098","0.1064","","","","","","1.047","","","","has coordinates","301851","2025-08-21","20:32:56",""
"7056475","20.7516","0.0016","28.169","0.002","7.3729","0.0006","90","","90","","90","","4309.8","0.6","298","2","298","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C18 H21.75 Cl3 Fe N3 O2.5 -","- C18 H22.5 Cl3 Fe N3 O2.5 -","- C144 H180 Cl24 Fe8 N24 O20 -","8","1","","Gomes, Clicia; Lube, Leonardo Munaldi; Fernandes, Christiane; Franco, Roberto W. A.; Lamounier Camargos Resende, Jackson Antonio; Horn, Adolfo","A new system for cyclohexane functionalization employing iron(III) catalysts and trichloroisocianuric acid","New J. Chem.","2017","41","20","11498","11502","10.1039/C7NJ01164D","","x-ray","0.71073","MoKα","","0.1436","0.1213","","","0.2878","0.2983","","","","","","1.205","","","","has coordinates","301442","2025-08-04","07:26:38",""
"7056476","17.662","0.003","10.529","0.002","22.676","0.004","90","","109.361","0.004","90","","3978.4","1.2","293","2","293","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C86 H64 N6 P4 S6 W -","- C86 H64 N6 P4 S6 W -","- C172 H128 N12 P8 S12 W2 -","2","0.5","","Khatua, Suman; Naskar, Tilak; Nandi, Chandan; Majumdar, Amit","Mononuclear Bis(dithiolene) Mo(IV) and W(IV) Complexes with P, P; S, S; O, S and O, O Donor Ligands: A Comparative Reactivity Study","New J. Chem.","2017","41","18","9769","9783","10.1039/C7NJ01797A","","x-ray","0.71073","MoKα","","0.0478","0.0363","","","0.0789","0.0842","","","","","","1.018","","","","has coordinates","301442","2025-08-04","07:26:40",""
"7056477","30.794","0.003","12.8406","0.001","14.2129","0.0011","90","","103.423","0.003","90","","5466.4","0.8","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C62 H44 N4 O2 P2 S4 W -","- C62 H44 N4 O2 P2 S4 W -","- C248 H176 N16 O8 P8 S16 W4 -","4","0.5","","Khatua, Suman; Naskar, Tilak; Nandi, Chandan; Majumdar, Amit","Mononuclear Bis(dithiolene) Mo(IV) and W(IV) Complexes with P, P; S, S; O, S and O, O Donor Ligands: A Comparative Reactivity Study","New J. Chem.","2017","41","18","9769","9783","10.1039/C7NJ01797A","","x-ray","0.71073","MoKα","","0.0485","0.032","","","0.0549","0.0607","","","","","","1.006","","","","has coordinates","301442","2025-08-04","07:26:42",""
"7056478","8.533","0.0002","11.5039","0.0003","18.6464","0.0005","107.952","0.001","93.871","0.001","103.428","0.001","1674.43","0.08","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H24 Mo N4 P2 S4 -","- C34 H24 Mo N4 P2 S4 -","- C68 H48 Mo2 N8 P4 S8 -","2","1","","Khatua, Suman; Naskar, Tilak; Nandi, Chandan; Majumdar, Amit","Mononuclear Bis(dithiolene) Mo(IV) and W(IV) Complexes with P, P; S, S; O, S and O, O Donor Ligands: A Comparative Reactivity Study","New J. Chem.","2017","41","18","9769","9783","10.1039/C7NJ01797A","","x-ray","0.71073","MoKα","","0.0332","0.0261","","","0.0569","0.0601","","","","","","0.998","","","","has coordinates","301442","2025-08-04","07:26:43",""
"7056479","8.6214","0.001","11.5287","0.0014","18.619","0.002","107.697","0.002","93.475","0.002","102.941","0.002","1701.7","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H24 N4 P2 S4 W -","- C34 H24 N4 P2 S4 W -","- C68 H48 N8 P4 S8 W2 -","2","1","","Khatua, Suman; Naskar, Tilak; Nandi, Chandan; Majumdar, Amit","Mononuclear Bis(dithiolene) Mo(IV) and W(IV) Complexes with P, P; S, S; O, S and O, O Donor Ligands: A Comparative Reactivity Study","New J. Chem.","2017","41","18","9769","9783","10.1039/C7NJ01797A","","x-ray","0.71073","MoKα","","0.0367","0.0331","","","0.0871","0.0891","","","","","","1.029","","","","has coordinates","301442","2025-08-04","07:26:43",""
"7056480","30.763","0.006","12.851","0.002","14.243","0.002","90","","103.561","0.007","90","","5473.8","1.6","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C62 H44 Mo N4 O2 P2 S4 -","- C62 H44 Mo N4 O2 P2 S4 -","- C248 H176 Mo4 N16 O8 P8 S16 -","4","0.5","","Khatua, Suman; Naskar, Tilak; Nandi, Chandan; Majumdar, Amit","Mononuclear Bis(dithiolene) Mo(IV) and W(IV) Complexes with P, P; S, S; O, S and O, O Donor Ligands: A Comparative Reactivity Study","New J. Chem.","2017","41","18","9769","9783","10.1039/C7NJ01797A","","x-ray","0.71073","MoKα","","0.0714","0.0438","","","0.1068","0.1218","","","","","","1.062","","","","has coordinates","301442","2025-08-04","07:26:52",""
"7056481","10.404","0.003","18.184","0.005","22.548","0.006","109.721","0.006","90.165","0.007","90.075","0.006","4015.5","1.9","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C86 H64 Mo N6 O P4 S5 -","- C86 H64 Mo N6 O P4 S5 -","- C172 H128 Mo2 N12 O2 P8 S10 -","2","1","","Khatua, Suman; Naskar, Tilak; Nandi, Chandan; Majumdar, Amit","Mononuclear Bis(dithiolene) Mo(IV) and W(IV) Complexes with P, P; S, S; O, S and O, O Donor Ligands: A Comparative Reactivity Study","New J. Chem.","2017","41","18","9769","9783","10.1039/C7NJ01797A","","x-ray","0.71073","MoKα","","0.1304","0.0687","","","0.1883","0.2344","","","","","","0.93","","","","has coordinates,has disorder","301442","2025-08-04","07:26:53",""
"7056482","17.743","0.003","10.571","0.002","22.759","0.004","90","","109.368","0.005","90","","4027.1","1.2","293","2","293","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C86 H64 Mo N6 P4 S6 -","- C86 H64 Mo N6 P4 S6 -","- C172 H128 Mo2 N12 P8 S12 -","2","0.5","","Khatua, Suman; Naskar, Tilak; Nandi, Chandan; Majumdar, Amit","Mononuclear Bis(dithiolene) Mo(IV) and W(IV) Complexes with P, P; S, S; O, S and O, O Donor Ligands: A Comparative Reactivity Study","New J. Chem.","2017","41","18","9769","9783","10.1039/C7NJ01797A","","x-ray","0.71073","MoKα","","0.0939","0.0611","","","0.1445","0.1576","","","","","","1.036","","","","has coordinates","301442","2025-08-04","07:27:03",""
"7056483","13.598","0.004","14.966","0.006","17.006","0.007","76.159","0.013","66.478","0.007","63.077","0.007","2822.1","1.8","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C62 H44 N4 O P2 S5 W -","- C62 H44 N4 O P2 S5 W -","- C124 H88 N8 O2 P4 S10 W2 -","2","1","","Khatua, Suman; Naskar, Tilak; Nandi, Chandan; Majumdar, Amit","Mononuclear Bis(dithiolene) Mo(IV) and W(IV) Complexes with P, P; S, S; O, S and O, O Donor Ligands: A Comparative Reactivity Study","New J. Chem.","2017","41","18","9769","9783","10.1039/C7NJ01797A","","x-ray","0.71073","MoKα","","0.208","0.0947","","","0.2125","0.2751","","","","","","1","","","","has coordinates,has disorder","301442","2025-08-04","07:27:04",""
"7056484","9.1372","0.0005","10.2407","0.0004","10.3976","0.0005","69.466","0.002","80.191","0.002","70.859","0.002","859.05","0.07","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","ethyl 6-methoxy-4-(phenylselanyl)quinoline-2-carboxylate","","- C19 H17 N O3 Se -","- C19 H17 N O3 Se -","- C38 H34 N2 O6 Se2 -","2","1","","Stefani, Helio A.; Oliveira, Isadora M.; Vaconcelos, Stanley N. S.; Barbeiro, Cristiane S.; Carita Correra, Thiago; Shamim, Anwar; Pimenta, Daniel C.; Caracelli, Ignez; Zukerman-Schpector, Julio; Manarin, Flavia G.","Ytterbium(III)-Catalyzed Three-Component Reactions: Synthesis of 4-Organoselenium-quinolines and Application in Copper-free Sonogashira Cross-coupling Reactions","New J. Chem.","2017","41","18","9884","9888","10.1039/C7NJ01803G","","","0.71073","MoKα","","0.0404","0.0324","","","0.0774","0.0812","","","","","","1.047","","","","has coordinates","301851","2025-08-21","20:32:56",""
"7056485","8.2169","0.0005","9.1554","0.0005","11.7431","0.0007","94.646","0.002","108.461","0.002","96.454","0.002","826.25","0.08","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","Ethyl 4-(3-hydroxy-3-methylbut-1-yn-1-yl)-6-methoxyquinoline-2-carboxylate","","- C18 H19 N O4 -","- C18 H19 N O4 -","- C36 H38 N2 O8 -","2","1","","Stefani, Helio A.; Oliveira, Isadora M.; Vaconcelos, Stanley N. S.; Barbeiro, Cristiane S.; Carita Correra, Thiago; Shamim, Anwar; Pimenta, Daniel C.; Caracelli, Ignez; Zukerman-Schpector, Julio; Manarin, Flavia G.","Ytterbium(III)-Catalyzed Three-Component Reactions: Synthesis of 4-Organoselenium-quinolines and Application in Copper-free Sonogashira Cross-coupling Reactions","New J. Chem.","2017","41","18","9884","9888","10.1039/C7NJ01803G","","","0.71073","MoKα","","0.0478","0.0432","","","0.1213","0.1261","","","","","","1.079","","","","has coordinates","301851","2025-08-21","20:32:56",""
"7056486","8.3219","0.0006","11.248","0.0009","18.4098","0.0014","90","","98.7126","0.0011","90","","1703.4","0.2","295","2","295","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","r4","","- C17 H19 N3 O3 Pd S -","- C17 H19 N3 O3 Pd S -","- C68 H76 N12 O12 Pd4 S4 -","4","1","","karami, kazem; Hosseini-Kharat, Mahboubeh; Saeidifar, Maryam; Rizzoli, Corrado; Zahedi-Nasab, Reza; Sohrabijam, Zahra; Sharifi, Tayebeh","Novel Pd(II) CNO pincer complex of MR (methyl red): synthesis, crystal structure, interaction with human serum albumin (HSA) in vitro and molecular docking","New J. Chem.","2017","41","18","9897","9907","10.1039/C7NJ01415E","","","0.71073","MoKα","","0.0307","0.0275","","","0.0766","0.0794","","","","","","1.067","","","","has coordinates","301442","2025-08-04","07:27:28",""
"7056487","11.242","0.003","21.784","0.006","19.117","0.004","90","","92.349","0.006","90","","4678","2","113","2","113","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C39 H44 Cl2 F9 Gd N6 O10 -","- C38 H42 F9 Gd N6 O10 -","- C152 H168 F36 Gd4 N24 O40 -","4","1","","Li, Hongdao; Sun, Juan; Yang, Meng; Sun, Zan; Xie, Jing; Ma, Yue; Li, Licun","Functionalized nitronyl nitroxide biradical bridged one-dimensional lanthanide chains: slow magnetic relaxation in the Tb and Dy analogues","New J. Chem.","2017","41","18","10181","10188","10.1039/C7NJ02006F","","","0.71073","MoKα","","0.0454","0.0412","","","0.1171","0.1203","","","","","","1.053","","","","has coordinates,has disorder","301442","2025-08-04","07:27:45",""
"7056488","11.256","0.003","21.853","0.004","19.166","0.004","90","","91.882","0.005","90","","4711.9","1.8","113","2","113","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C39 H44 Cl2 F9 N6 Nd O10 -","- C38 H42 F9 N6 Nd O10 -","- C152 H168 F36 N24 Nd4 O40 -","4","1","","Li, Hongdao; Sun, Juan; Yang, Meng; Sun, Zan; Xie, Jing; Ma, Yue; Li, Licun","Functionalized nitronyl nitroxide biradical bridged one-dimensional lanthanide chains: slow magnetic relaxation in the Tb and Dy analogues","New J. Chem.","2017","41","18","10181","10188","10.1039/C7NJ02006F","","","0.71073","MoKα","","0.0641","0.0484","","","0.1406","0.1552","","","","","","1.011","","","","has coordinates,has disorder","301442","2025-08-04","07:27:57",""
"7056489","11.3722","0.0001","21.8154","0.0002","19.077","0.0002","90","","92.333","0.001","90","","4728.87","0.08","113","2","113","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C39 H44 Cl2 Dy F9 N6 O10 -","- C38 H41.5 Dy F9 N6 O10 -","- C152 H166 Dy4 F36 N24 O40 -","4","1","","Li, Hongdao; Sun, Juan; Yang, Meng; Sun, Zan; Xie, Jing; Ma, Yue; Li, Licun","Functionalized nitronyl nitroxide biradical bridged one-dimensional lanthanide chains: slow magnetic relaxation in the Tb and Dy analogues","New J. Chem.","2017","41","18","10181","10188","10.1039/C7NJ02006F","","","1.54178","CuKα","","0.0551","0.0513","","","0.1509","0.1538","","","","","","1.038","","","","has coordinates,has disorder","301442","2025-08-04","07:28:11",""
"7056490","11.3578","0.0003","21.8234","0.0004","19.0928","0.0003","90","","92.349","0.002","90","","4728.48","0.17","113","2","113","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C39 H44 Cl2 F9 N6 O10 Tb -","- C38 H42 F9 N6 O10 Tb -","- C152 H168 F36 N24 O40 Tb4 -","4","1","","Li, Hongdao; Sun, Juan; Yang, Meng; Sun, Zan; Xie, Jing; Ma, Yue; Li, Licun","Functionalized nitronyl nitroxide biradical bridged one-dimensional lanthanide chains: slow magnetic relaxation in the Tb and Dy analogues","New J. Chem.","2017","41","18","10181","10188","10.1039/C7NJ02006F","","","1.54178","CuKα","","0.0881","0.0679","","","0.1786","0.1946","","","","","","1.001","","","","has coordinates,has disorder","301442","2025-08-04","07:28:13",""
"7056491","13.2741","0.0003","14.1583","0.0003","15.4049","0.0004","116.5","0.002","92.908","0.002","114.528","0.002","2256.01","0.12","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C37 H47 N9 O8 Pd3 S3 -","- C36.9999 H46.9997 N9 O8 Pd3 S3 -","- C73.9998 H93.9994 N18 O16 Pd6 S6 -","2","1","","Arumugam, Shanmugapriya; Jain, Ruchi; Devaraj, Sabarinathan; Giriraj, Kalaiarasi; Dallemer, Frederic; Prabhakaran, Rathinasabapathi","Structurally different mono, bi and trinuclear Pd(II) complexes and their DNA/Protein interaction, DNA cleavage, anti-oxidant, anti-microbial and cytotoxicity studies","New J. Chem.","2017","41","18","10324","10338","10.1039/C7NJ01556A","","x-ray","0.71073","MoKα","","0.0667","0.043","","","0.0893","0.1019","","","","","","1.052","","","","has coordinates,has disorder","301442","2025-08-04","07:28:28",""
"7056492","10.5318","0.0003","11.2368","0.0004","11.4307","0.0003","93.946","0.002","98.609","0.002","107.392","0.003","1267.08","0.07","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C25 H21 N3 O2 P Pd S -","- C25 H21 N3 O2 P Pd S -","- C50 H42 N6 O4 P2 Pd2 S2 -","2","1","","Arumugam, Shanmugapriya; Jain, Ruchi; Devaraj, Sabarinathan; Giriraj, Kalaiarasi; Dallemer, Frederic; Prabhakaran, Rathinasabapathi","Structurally different mono, bi and trinuclear Pd(II) complexes and their DNA/Protein interaction, DNA cleavage, anti-oxidant, anti-microbial and cytotoxicity studies","New J. Chem.","2017","41","18","10324","10338","10.1039/C7NJ01556A","","x-ray","0.71073","MoKα","","0.0525","0.0391","","","0.0942","0.1018","","","","","","1.042","","","","has coordinates,has disorder","301442","2025-08-04","07:28:31",""
"7056493","10.5084","0.0002","17.0591","0.0004","16.5361","0.0003","90","","96.126","0.002","90","","2947.4","0.1","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H26 N6 O4 Pd S2 -","- C30 H26 N6 O4 Pd S2 -","- C120 H104 N24 O16 Pd4 S8 -","4","1","","Arumugam, Shanmugapriya; Jain, Ruchi; Devaraj, Sabarinathan; Giriraj, Kalaiarasi; Dallemer, Frederic; Prabhakaran, Rathinasabapathi","Structurally different mono, bi and trinuclear Pd(II) complexes and their DNA/Protein interaction, DNA cleavage, anti-oxidant, anti-microbial and cytotoxicity studies","New J. Chem.","2017","41","18","10324","10338","10.1039/C7NJ01556A","","x-ray","0.71073","MoKα","","0.0542","0.0351","","","0.0715","0.0797","","","","","","1.047","","","","has coordinates","301442","2025-08-04","07:28:52",""
"7056494","7.977","0.0012","27.642","0.004","9.1543","0.0013","90","","107.212","0.003","90","","1928.1","0.5","255","","255","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C25 H21 N3 O3 -","- C25 H21 N3 O3 -","- C100 H84 N12 O12 -","4","1","","Wani, Manzoor Ahmad; Thakur, Neha; Pandey, Mrituanjay D.; Pandey, Rampal","A reusable multichannel anthraimidazoledione based receptor for Hg2+ and Cu2+ ions: Ultrasensitive, economical and facile detection of Hg2+ in real water sources through fluorescence readout","New J. Chem.","2017","41","18","10000","10008","10.1039/C7NJ02097J","","","0.71073","","","0.067393","0.056083","","","","0.178031","","","","","","1.20264","","","","has coordinates","301851","2025-08-21","20:32:56",""
"7056495","10.5031","0.0008","18.0711","0.0013","18.3906","0.0013","66.8","0.003","73.533","0.004","85.947","0.004","3073.4","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C84 H58 Er2 N6 O8 -","- C84 H54 Er2 N6 O8 -","- C168 H108 Er4 N12 O16 -","2","1","","Gholizadeh Dogaheh, Samira; Khanmohammadi, Hamid; Sañudo, E. Carolina","Double decker luminescent Ytterbium and Erbium SMMs with symmetric and asymmetric Schiff base ligands","New J. Chem.","2017","41","18","10101","10111","10.1039/C7NJ01842H","","","0.71073","MoKα","","0.0467","0.0329","","","0.0769","0.0835","","","","","","1.039","","","","has coordinates","301442","2025-08-04","07:29:19",""
"7056496","10.4575","0.0004","18.0686","0.0006","18.4181","0.0006","66.674","0.002","73.605","0.002","85.41","0.002","3063.77","0.19","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C84 H58 N6 O8 Yb2 -","- C84 H54 N6 O8 Yb2 -","- C168 H108 N12 O16 Yb4 -","2","1","","Gholizadeh Dogaheh, Samira; Khanmohammadi, Hamid; Sañudo, E. Carolina","Double decker luminescent Ytterbium and Erbium SMMs with symmetric and asymmetric Schiff base ligands","New J. Chem.","2017","41","18","10101","10111","10.1039/C7NJ01842H","","","0.71073","MoKα","","0.0786","0.0451","","","0.0867","0.0984","","","","","","0.953","","","","has coordinates","301442","2025-08-04","07:29:32",""
"7056497","13.6388","0.0008","25.3478","0.0013","31.3489","0.0016","90","","101.535","0.003","90","","10618.8","1","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C256 H191 N35 O28 Yb6 -","- C256 H191 N35 O28 Yb6 -","- C512 H382 N70 O56 Yb12 -","2","0.5","","Gholizadeh Dogaheh, Samira; Khanmohammadi, Hamid; Sañudo, E. Carolina","Double decker luminescent Ytterbium and Erbium SMMs with symmetric and asymmetric Schiff base ligands","New J. Chem.","2017","41","18","10101","10111","10.1039/C7NJ01842H","","","1.5478","","","0.1182","0.0614","","","0.1414","0.1673","","","","","","1.021","","","","has coordinates,has disorder","301442","2025-08-04","07:29:46",""
"7056498","13.5774","0.0017","25.425","0.003","30.838","0.004","90","","102.553","0.008","90","","10391","2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C126 H91 Er3 N14 O16 -","- C126 H89 Er3 N14 O16 -","- C504 H356 Er12 N56 O64 -","4","1","","Gholizadeh Dogaheh, Samira; Khanmohammadi, Hamid; Sañudo, E. Carolina","Double decker luminescent Ytterbium and Erbium SMMs with symmetric and asymmetric Schiff base ligands","New J. Chem.","2017","41","18","10101","10111","10.1039/C7NJ01842H","","","0.71073","MoKα","","0.1453","0.0744","","","0.1723","0.213","","","","","","1.081","","","","has coordinates","301442","2025-08-04","07:29:51",""
"7056499","10.1601","0.0008","12.4693","0.0014","17.1951","0.0011","91.449","0.007","98.769","0.006","113.892","0.009","1959.3","0.3","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C80 H68 Cu4 F8 N20 O12 -","- C80 H68 Cu4 F8 N20 O12 -","- C80 H68 Cu4 F8 N20 O12 -","1","0.5","","Parween, Arfa; Naskar, Sumita; Mota, Antonio J.; Espinosa, Arturo; Chattopadhyay, Shyamal Kumar; Riviere, Eric; Lewis, William; Naskar, Subhendu","Ci-symmetry, [2 × 2] grid, square copper complex with the N4,N5-bis(4-fluorophenyl)-1H-imidazole-4,5-dicarboxamide ligand: structure, catecholase activity, magnetic properties and DFT calculations","New J. Chem.","2017","41","20","11750","11758","10.1039/C7NJ01667K","","x-ray","1.54184","CuKα","","0.0433","0.0356","","","0.092","0.0972","","","","","","1.028","","","","has coordinates","301851","2025-08-21","20:32:56",""
"7056500","10.8289","0.0003","12.9518","0.0004","20.3412","0.0006","90","","90","","90","","2852.93","0.15","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","1-tert-Butyl 2-methyl 7-oxoazepane-1,2-dicarboxylate","","- C13 H21 N O5 -","- C13 H21 N O5 -","- C104 H168 N8 O40 -","8","1","","Weck, Christian; Obst, Franziska; Nauha, Elisa; Schofield, Christopher J.; Gruber, Tobias","Synthesis of a bicyclic oxo-γ-lactam from a simple caprolactam derivative","New J. Chem.","2017","41","18","9984","9989","10.1039/C7NJ02348K","","","1.54178","CuKα","","0.0395","0.0369","","","0.0956","0.0979","","","","","","1.046","","","","has coordinates","301851","2025-08-21","20:32:56",""
"7056501","6.1511","0.0006","6.3794","0.0007","17.526","0.0018","88.877","0.005","80.145","0.005","82.187","0.005","671.28","0.12","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","tert-Butyl 7,8-dioxo-6-azabicyclo[3.2.1]octane-6-carboxylate","","- C12 H19 N O5 -","- C12 H19 N O5 -","- C24 H38 N2 O10 -","2","1","","Weck, Christian; Obst, Franziska; Nauha, Elisa; Schofield, Christopher J.; Gruber, Tobias","Synthesis of a bicyclic oxo-γ-lactam from a simple caprolactam derivative","New J. Chem.","2017","41","18","9984","9989","10.1039/C7NJ02348K","","","1.54178","CuKα","","0.0738","0.0677","","","0.1764","0.1859","","","","","","1.061","","","","has coordinates","301851","2025-08-21","20:32:56",""
"7056502","23.4764","0.0007","23.4764","0.0007","12.156","0.0006","90","","90","","120","","5802.1","0.4","296","","296","","","","","","","","","8","P -3","-P 3","147","","","","- C36 H27 La8 N6 Nb9 O172 Si3 W27 -","- C36 H24 La8 N6 Nb9 O178 Si3 W27 -","- C36 H24 La8 N6 Nb9 O178 Si3 W27 -","1","0.166667","","Yang, Mei-Si; Chen, Wei-Chao; Qin, Chao; Yao, Wei; Yin, Ying-Xue; Su, Zhong-Min","An Unprecedented 3D Architecture Based on Nb/W Mixed-Addendum Polyoxometalate and Lanthanide-Organic Complex: Synthesis, Crystal Structure and Properties","New J. Chem.","2017","41","19","10532","10536","10.1039/C7NJ02011B","","x-ray","0.71073","MoKα","K-L~3~","0.0739","0.0615","","","0.1436","0.1497","","","","","","1.08","","","","has coordinates,has disorder","301442","2025-08-04","07:30:32",""
"7056503","14.094","0.005","15.243","0.005","22.026","0.005","80.802","0.005","87.439","0.005","70.886","0.005","4413","2","293","2","293","2","","","","","","","","7","P -1","-P 1","2","3","3","","- C84 H100 Cu N28 O134 P4 W36 -","- C84 H66 Cu N28 O134 P4 W36 -","- C84 H66 Cu N28 O134 P4 W36 -","1","0.5","","Li, Shaobin; Zhang, Li; Chai, Dong Feng; Pang, Haijun; Ma, Huiyuan","Self-assembly of polyoxometalate-based hybrid aggregates: from monomer to dimer via changing pH value of reaction systems","New J. Chem.","2017","41","18","10148","10154","10.1039/C7NJ02475D","","","0.71069","MoKα","","0.0812","0.0579","","","0.1471","0.1639","","","","","","1.011","","","","has coordinates","301442","2025-08-04","07:30:41",""
"7056504","14.759","0.005","15.355","0.005","23.09","0.005","83.404","0.005","84.68","0.005","69.636","0.005","4865","3","293","2","293","2","","","","","","","","7","P -1","-P 1","2","1","1","","- C48 H56 Cu N16 O68 P2 W18 -","- C48 H40 Cu N16 O64 P2 W18 -","- C96 H80 Cu2 N32 O128 P4 W36 -","2","1","","Li, Shaobin; Zhang, Li; Chai, Dong Feng; Pang, Haijun; Ma, Huiyuan","Self-assembly of polyoxometalate-based hybrid aggregates: from monomer to dimer via changing pH value of reaction systems","New J. Chem.","2017","41","18","10148","10154","10.1039/C7NJ02475D","","","0.71069","MoKα","","0.0625","0.0434","","","0.1139","0.121","","","","","","0.97","","","","has coordinates","301442","2025-08-04","07:30:56",""
"7056505","14.902","0.005","22.953","0.005","28.479","0.005","90","0.005","99.402","0.005","90","0.005","9610","4","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","2","2","","- C96 H114 Cu2 N32 O137 P4 W36 -","- C96 H80 Cu2 N32 O128 P4 W36 -","- C192 H160 Cu4 N64 O256 P8 W72 -","2","0.5","","Li, Shaobin; Zhang, Li; Chai, Dong Feng; Pang, Haijun; Ma, Huiyuan","Self-assembly of polyoxometalate-based hybrid aggregates: from monomer to dimer via changing pH value of reaction systems","New J. Chem.","2017","41","18","10148","10154","10.1039/C7NJ02475D","","","0.71069","MoKα","","0.0606","0.043","","","0.1119","0.1183","","","","","","1.058","","","","has coordinates","301442","2025-08-04","07:31:16",""
"7056506","9.789","0.005","11.682","0.005","17.495","0.005","100.545","0.005","101.652","0.005","106.138","0.005","1820.4","1.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C43 H30 Cl N7 O5 Ru -","- C43 H30 Cl N7 O5 Ru -","- C86 H60 Cl2 N14 O10 Ru2 -","2","1","","Patra, Shanti G.; Zangrando, Ennio; Datta, Dipankar","Effect of ancillary ligand proton on the photophysical properties of some RuIIN6 cores. A proton valve","New J. Chem.","2017","41","18","10415","10423","10.1039/C7NJ02274C","","","0.71073","MoKα","","0.0915","0.0493","","","0.1001","0.1181","","","","","","1.017","","","","has coordinates","301851","2025-08-21","20:32:56",""
"7056507","9.5224","0.0009","23.282","0.002","18.7461","0.0018","90","","102.086","0.004","90","","4063.9","0.7","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C39 H33 Cl2 N7 O10 Ru -","- C39 H33 Cl2 N7 O10 Ru -","- C156 H132 Cl8 N28 O40 Ru4 -","4","1","","Patra, Shanti G.; Zangrando, Ennio; Datta, Dipankar","Effect of ancillary ligand proton on the photophysical properties of some RuIIN6 cores. A proton valve","New J. Chem.","2017","41","18","10415","10423","10.1039/C7NJ02274C","","","0.71073","MoKα","","0.0672","0.0485","","","0.1168","0.125","","","","","","1.042","","","","has coordinates","301851","2025-08-21","20:32:56",""
"7056508","17.0179","0.0004","17.0179","0.0004","12.9851","0.0004","90","","90","","90","","3760.6","0.17","298","2","298","2","","","","","","","","5","P 42/n","-P 4bc","86","","","","- C68 H104 Co3 N16 O12 -","- C68 H104 Co3 N16 O12 -","- C136 H208 Co6 N32 O24 -","2","","","Panja, Anangamohan; Jana, Narayan Ch.; Brandão, Paula","Influence of the first and second coordination spheres on the diverse phenoxazinone synthase activity of cobalt complexes derived from a tetradentate Schiff base ligand","New J. Chem.","2017","41","18","9784","9795","10.1039/C7NJ02015E","","","0.71073","MoKα","","0.0738","0.0391","","","0.0858","0.096","","","","","","1.048","","","","has coordinates","301851","2025-08-21","20:32:56",""
"7056509","18.977","0.003","11.8646","0.0017","21.938","0.003","90","","108.078","0.004","90","","4695.6","1.2","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C37 H54 Co2 N11 O4 S5 -","- C37 H54 Co2 N11 O4 S5 -","- C148 H216 Co8 N44 O16 S20 -","4","1","","Panja, Anangamohan; Jana, Narayan Ch.; Brandão, Paula","Influence of the first and second coordination spheres on the diverse phenoxazinone synthase activity of cobalt complexes derived from a tetradentate Schiff base ligand","New J. Chem.","2017","41","18","9784","9795","10.1039/C7NJ02015E","","","0.71073","MoKα","","0.0862","0.0549","","","0.1409","0.1767","","","","","","1.108","","","","has coordinates","301851","2025-08-21","20:32:56",""
"7056510","25.636","0.003","10.3538","0.0004","19.712","0.002","90","","126.446","0.016","90","","4208.8","1.1","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C34 H55 Co2 N19 O4 -","- C34 H55 Co2 N19 O4 -","- C136 H220 Co8 N76 O16 -","4","0.5","","Panja, Anangamohan; Jana, Narayan Ch.; Brandão, Paula","Influence of the first and second coordination spheres on the diverse phenoxazinone synthase activity of cobalt complexes derived from a tetradentate Schiff base ligand","New J. Chem.","2017","41","18","9784","9795","10.1039/C7NJ02015E","","","0.71073","MoKα","","0.0507","0.0407","","","0.0972","0.103","","","","","","1.039","","","","has coordinates","301442","2025-08-04","07:31:57",""
"7056511","7.9958","0.0004","10.1437","0.0005","13.4435","0.0007","85.118","0.002","83.482","0.002","89.535","0.002","1079.38","0.09","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H54 Co2 N10 O5 S4 -","- C36 H53 Co2 N10 O4.5 S4 -","- C36 H53 Co2 N10 O4.5 S4 -","1","0.5","","Panja, Anangamohan; Jana, Narayan Ch.; Brandão, Paula","Influence of the first and second coordination spheres on the diverse phenoxazinone synthase activity of cobalt complexes derived from a tetradentate Schiff base ligand","New J. Chem.","2017","41","18","9784","9795","10.1039/C7NJ02015E","","","0.71073","MoKα","","0.0313","0.0251","","","0.0631","0.0661","","","","","","1.033","","","","has coordinates","301442","2025-08-04","07:31:57",""
"7056512","9.7679","0.0002","13.1943","0.0005","15.3233","0.0006","67.616","0.004","73.07","0.003","70.037","0.003","1686.57","0.11","100","0.1","100","0.1","","","","","","","","8","P -1","-P 1","2","","","","- C69 H64 Cl2 F12 N4 O6 P4 Ru2 -","- C69 H64 Cl2 F12 N4 O6 P4 Ru2 -","- C69 H64 Cl2 F12 N4 O6 P4 Ru2 -","1","0.5","","Pandiyan, T.; Hernandez, Jose Hernandez; Huerta Aguilar, Carlos Alberto; Höpfl, Herbert","Ruthenium(III) complex derived from N,N´-bis(salicylidene)ethylenediamine as chemosensor for the selective recognition of acetate and its interaction with cells for bio-imaging: Experimental and theoretical studies","New J. Chem.","2017","41","19","10815","10827","10.1039/C7NJ01591G","","x-ray","0.71073","MoKα","","0.0768","0.0737","","","0.1785","0.1813","","","","","","1.194","","","","has coordinates,has disorder","301442","2025-08-04","07:31:57",""
"7056513","9.0434","0.0001","23.9537","0.0005","12.3526","0.0002","90","","102.996","0.0012","90","","2607.32","0.08","150","1","150","1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C18 H25 Cu F6 N5 O6 S2 -","- C18 H25 Cu F6 N5 O6 S2 -","- C72 H100 Cu4 F24 N20 O24 S8 -","4","1","","Pal, Sarit; Islam, Md Tariqul; Moore, James T.; Reyes, Jesus; Pardo, Andrew; Varela-Ramirez, Armando; Noveron, Juan","Self-assembly of a novel Cu (II) co-ordination complex forms metallo-vesicles that are able to transfect mammalian cells","New J. Chem.","2017","41","19","11230","11237","10.1039/C7NJ02161E","","","0.71073","MoKα","","0.0495","0.0368","","","0.0853","0.093","","","","","","1.032","","","","has coordinates","301851","2025-08-21","20:32:56",""
"7056514","12.1381","0.0005","12.9005","0.0005","15.6604","0.0006","104.149","0.002","90.794","0.002","107.642","0.002","2255.71","0.16","295","","295","","","","","","","","","5","P -1","-P 1","2","","","","- C97 H94 Cl6 O16 Ru4 -","- C97 H94 Cl6 O16 Ru4 -","- C97 H94 Cl6 O16 Ru4 -","1","0.5","","Tsovaltzi, E.; Malamidou-Xenikaki, E.; Dalezis, P.; Hatzidimitriou, Antonios; Trafalis, D.; Lazarides, Theodore; Sarli, Vasiliki","Synthesis and Analysis of the Anticancer Activity of Ru(II) Complexes Incorporating 2-Hydroxymethylidene-indene-1,3-diones Ligands","New J. Chem.","2017","41","18","10438","10446","10.1039/C7NJ02162C","","","0.71073","MoKα","","0.0969","0.0451","","0.0834","0.0786","0.0786","","","","","","0.9999","","","","has coordinates","301442","2025-08-04","07:31:59",""
"7056515","9.3961","0.001","14.3704","0.0015","18.598","0.002","99.204","0.005","91.117","0.005","94.615","0.005","2469.5","0.5","295","","295","","","","","","","","","5","P -1","-P 1","2","","","","- C26 H29 Cl O4 Ru -","- C26 H29 Cl O4 Ru -","- C104 H116 Cl4 O16 Ru4 -","4","2","","Tsovaltzi, E.; Malamidou-Xenikaki, E.; Dalezis, P.; Hatzidimitriou, Antonios; Trafalis, D.; Lazarides, Theodore; Sarli, Vasiliki","Synthesis and Analysis of the Anticancer Activity of Ru(II) Complexes Incorporating 2-Hydroxymethylidene-indene-1,3-diones Ligands","New J. Chem.","2017","41","18","10438","10446","10.1039/C7NJ02162C","","","0.71073","MoKα","","0.0624","0.0386","","0.0988","0.0895","0.0895","","","","","","1.0001","","","","has coordinates,has disorder","301442","2025-08-04","07:32:00",""
"7056516","7.7108","0.0003","12.7742","0.0004","12.7925","0.0003","64.6825","0.0015","74.5158","0.0017","83.476","0.002","1097.68","0.06","295","","295","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H25 Cl O4 Ru -","- C24 H25 Cl O4 Ru -","- C48 H50 Cl2 O8 Ru2 -","2","1","","Tsovaltzi, E.; Malamidou-Xenikaki, E.; Dalezis, P.; Hatzidimitriou, Antonios; Trafalis, D.; Lazarides, Theodore; Sarli, Vasiliki","Synthesis and Analysis of the Anticancer Activity of Ru(II) Complexes Incorporating 2-Hydroxymethylidene-indene-1,3-diones Ligands","New J. Chem.","2017","41","18","10438","10446","10.1039/C7NJ02162C","","","0.71073","MoKα","","0.037","0.0219","","0.05","0.0469","0.0469","","","","","","1","","","","has coordinates","301442","2025-08-04","07:32:00",""
"7056517","11.3428","0.0007","11.6272","0.0008","12.1199","0.0011","65.746","0.006","76.952","0.005","80.911","0.004","1415.9","0.2","295","","295","","","","","","","","","6","P -1","-P 1","2","","","","- C59 H54 Cl4 N2 O6 Ru2 -","- C59 H54 Cl4 N2 O6 Ru2 -","- C59 H54 Cl4 N2 O6 Ru2 -","1","0.5","","Tsovaltzi, E.; Malamidou-Xenikaki, E.; Dalezis, P.; Hatzidimitriou, Antonios; Trafalis, D.; Lazarides, Theodore; Sarli, Vasiliki","Synthesis and Analysis of the Anticancer Activity of Ru(II) Complexes Incorporating 2-Hydroxymethylidene-indene-1,3-diones Ligands","New J. Chem.","2017","41","18","10438","10446","10.1039/C7NJ02162C","","","0.71073","MoKα","","0.0882","0.0537","","0.1646","0.1469","0.1469","","","","","","1","","","","has coordinates","301851","2025-08-21","20:32:56",""
"7056518","17.786","0.008","10.318","0.005","19.201","0.009","90","","90","","90","","3524","3","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C18 H18 Cl Mn N2 O4 -","- C18 H18 Cl Mn N2 O4 -","- C144 H144 Cl8 Mn8 N16 O32 -","8","1","","Dolai, Malay; Mondal, Abhishake; Liu, Jun-Liang; Mahammad, Ali","Three novel mononuclear Mn(III) based magnetic materials with square pyramidal versus octahedral geometries","New J. Chem.","2017","41","19","10890","10898","10.1039/C7NJ02919E","","","0.71073","MoKα","","0.0984","0.0531","","","0.1091","0.1328","","","","","","1.066","","","","has coordinates","301442","2025-08-04","07:32:00",""
"7056519","18.1502","0.0008","10.0629","0.0004","20.4381","0.0009","90","","90","","90","","3732.9","0.3","273","2","273","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H18 Mn N5 O4 -","- C18 H18 Mn N5 O4 -","- C144 H144 Mn8 N40 O32 -","8","1","","Dolai, Malay; Mondal, Abhishake; Liu, Jun-Liang; Mahammad, Ali","Three novel mononuclear Mn(III) based magnetic materials with square pyramidal versus octahedral geometries","New J. Chem.","2017","41","19","10890","10898","10.1039/C7NJ02919E","","","0.71073","MoKα","","0.1282","0.0634","","","0.1538","0.18","","","","","","1.032","","","","has coordinates","301442","2025-08-04","07:32:00",""
"7056520","11.997","0.0003","13.159","0.0004","22.969","0.0007","90","","90","","90","","3626.08","0.18","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C18 H20 Cl Mn N2 O5 -","- C18 H20 Cl Mn N2 O5 -","- C144 H160 Cl8 Mn8 N16 O40 -","8","1","","Dolai, Malay; Mondal, Abhishake; Liu, Jun-Liang; Mahammad, Ali","Three novel mononuclear Mn(III) based magnetic materials with square pyramidal versus octahedral geometries","New J. Chem.","2017","41","19","10890","10898","10.1039/C7NJ02919E","","","0.71073","MoKα","","0.0526","0.0388","","","0.1035","0.1126","","","","","","1.054","","","","has coordinates","301442","2025-08-04","07:32:00",""
"7056521","10.697","0.004","15.165","0.006","14.304","0.004","90","","129.741","0.012","90","","1784.2","1.1","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(1,5-Cyclooctadiene)-bis(N,N'-dimethylthiourea)-iridium(IV)","","- C14 H26 Cl Ir N4 S2 -","- C14 H26 Cl Ir N4 S2 -","- C56 H104 Cl4 Ir4 N16 S8 -","4","1","","Kumar, Sumit; Purcell, Walter; Conradie, Jeanet; Bragg, Robert; Langner, Ernst Hendrik","Synthesis, characterization, computational and antimicrobial activities of a novel iridium thiourea complex","New J. Chem.","2017","41","19","10919","10928","10.1039/C7NJ02019H","","","0.71073","MoKα","","0.0243","0.0212","","","0.0494","0.051","","","","","","1.06","","","","has coordinates","301442","2025-08-04","07:32:00",""
"7056522","13.7585","0.0006","12.5082","0.0004","15.7328","0.0006","90","","110.107","0.004","90","","2542.5","0.18","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C27 H30 I N3 O Zn -","- C27 H30 I N3 O Zn -","- C108 H120 I4 N12 O4 Zn4 -","4","1","","Alaji, Z.; Safaei, E.; Wojtczak, A.","Development of pyridine based o-aminophenolate zinc complexes as structurally tunable catalysts for CO2 fixation into cyclic carbonates","New J. Chem.","2017","41","18","10121","10131","10.1039/C7NJ01656E","","","0.71073","MoKα","","0.0493","0.0284","","","0.0569","0.0601","","","","","","0.918","","","","has coordinates","301442","2025-08-04","07:32:00",""
"7056523","10.1927","0.0013","10.2059","0.0012","14.7907","0.0019","94.834","0.01","98.779","0.011","114.583","0.012","1363.9","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H34 N3 O3.5 Zn -","- C29 H34 N3 O3.5 Zn -","- C58 H68 N6 O7 Zn2 -","2","1","","Alaji, Z.; Safaei, E.; Wojtczak, A.","Development of pyridine based o-aminophenolate zinc complexes as structurally tunable catalysts for CO2 fixation into cyclic carbonates","New J. Chem.","2017","41","18","10121","10131","10.1039/C7NJ01656E","","","0.71073","MoKα","","0.0851","0.0611","","","0.1653","0.2128","","","","","","1.069","","","","has coordinates","301442","2025-08-04","07:32:01",""
"7056524","7.9476","0.0003","11.5809","0.0005","14.2737","0.0006","83.054","0.004","76.725","0.004","89.507","0.003","1269.02","0.09","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H30 Br N3 O Zn -","- C27 H30 Br N3 O Zn -","- C54 H60 Br2 N6 O2 Zn2 -","2","1","","Alaji, Z.; Safaei, E.; Wojtczak, A.","Development of pyridine based o-aminophenolate zinc complexes as structurally tunable catalysts for CO2 fixation into cyclic carbonates","New J. Chem.","2017","41","18","10121","10131","10.1039/C7NJ01656E","","","0.71073","MoKα","","0.0639","0.0375","","","0.0796","0.0859","","","","","","0.882","","","","has coordinates","301442","2025-08-04","07:32:01",""
"7056525","21.8983","0.0008","21.8983","0.0008","21.2428","0.0008","90","","90","","120","","8821.9","0.6","150","2","150","2","","","","","","","","3","R -3 :H","-R 3","148","","","","- C23 H20.5 O4.25 -","- C23 H20 O4.25 -","- C414 H360 O76.5 -","18","1","","talhi, oualid; Abdeldjebar, Hasnia; Belmiloud, Yamina; Hassaine, Ridha; Taibi, Nadia; Valega, Monica; Almeida Paz, Filipe Alexandre; Brahimi, Meziane; Bachari, Khaldoun; Silva, Artur M. S.","Organobase Catalysed One-pot Exo-selective Synthesis of meso-Spiro[Cyclohexanone-Pyrandione] Derivatives","New J. Chem.","2017","41","19","10790","10798","10.1039/C7NJ02168B","","","0.71073","MoKα","","0.0928","0.0603","","","0.1786","0.2048","","","","","","1.06","","","","has coordinates,has disorder","301442","2025-08-04","07:32:01",""
"7056526","14.1989","0.0003","6.3206","0.0001","24.271","0.0005","90","","96.751","0.002","90","","2163.11","0.07","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C25 H24 O6 -","- C25 H24 O6 -","- C100 H96 O24 -","4","1","","talhi, oualid; Abdeldjebar, Hasnia; Belmiloud, Yamina; Hassaine, Ridha; Taibi, Nadia; Valega, Monica; Almeida Paz, Filipe Alexandre; Brahimi, Meziane; Bachari, Khaldoun; Silva, Artur M. S.","Organobase Catalysed One-pot Exo-selective Synthesis of meso-Spiro[Cyclohexanone-Pyrandione] Derivatives","New J. Chem.","2017","41","19","10790","10798","10.1039/C7NJ02168B","","","0.715","synchrotron","","0.0638","0.0632","","","0.1367","0.137","","","","","","1.063","","","","has coordinates,has disorder","301851","2025-08-21","20:32:56",""
"7056527","22.418","0.004","9.8837","0.0017","11.914","0.002","90","","93.04","0.005","90","","2636.1","0.8","180","2","180","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C31 H36 O4 -","- C31 H36 O4 -","- C124 H144 O16 -","4","1","","talhi, oualid; Abdeldjebar, Hasnia; Belmiloud, Yamina; Hassaine, Ridha; Taibi, Nadia; Valega, Monica; Almeida Paz, Filipe Alexandre; Brahimi, Meziane; Bachari, Khaldoun; Silva, Artur M. S.","Organobase Catalysed One-pot Exo-selective Synthesis of meso-Spiro[Cyclohexanone-Pyrandione] Derivatives","New J. Chem.","2017","41","19","10790","10798","10.1039/C7NJ02168B","","","0.71073","MoKα","","0.0864","0.0722","","","0.1838","0.1963","","","","","","1.029","","","","has coordinates","301851","2025-08-21","20:32:56",""
"7056528","9.4899","0.0016","13.113","0.002","13.165","0.002","110.046","0.012","102.423","0.011","94.908","0.011","1480.2","0.4","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H30 N6 O8 -","- C32 H30 N6 O8 -","- C64 H60 N12 O16 -","2","1","","Baruah, Jubaraj Bikash; Tarai, Arup","Competing phenol-imidazole and phenol-phenol interactions in flexible supramolecular environment of N,N'-bis(3-imidazol-1-yl-propyl)naphthalenediimide causing domain expansion","New J. Chem.","2017","41","19","10750","10760","10.1039/C7NJ02322G","","","0.71073","MoKα","","0.0942","0.0501","","","0.086","0.0993","","","","","","1.081","","","","has coordinates","301851","2025-08-21","20:32:56",""
"7056529","8.3794","0.0012","10.8125","0.0017","12.123","0.003","106.232","0.014","108.621","0.015","105.345","0.009","920.7","0.4","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C38 H30 N10 O14 -","- C38 H30 N10 O14 -","- C38 H30 N10 O14 -","1","0.5","","Baruah, Jubaraj Bikash; Tarai, Arup","Competing phenol-imidazole and phenol-phenol interactions in flexible supramolecular environment of N,N'-bis(3-imidazol-1-yl-propyl)naphthalenediimide causing domain expansion","New J. Chem.","2017","41","19","10750","10760","10.1039/C7NJ02322G","","","0.71073","MoKα","","0.1025","0.0542","","","0.0921","0.1134","","","","","","1.081","","","","has coordinates","301851","2025-08-21","20:32:56",""
"7056530","9.2173","0.001","10.4784","0.0011","11.2283","0.0009","101.512","0.008","98.485","0.008","108.836","0.01","979.11","0.19","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C40 H36 N8 O10 -","- C40 H36 N8 O10 -","- C40 H36 N8 O10 -","1","0.5","","Baruah, Jubaraj Bikash; Tarai, Arup","Competing phenol-imidazole and phenol-phenol interactions in flexible supramolecular environment of N,N'-bis(3-imidazol-1-yl-propyl)naphthalenediimide causing domain expansion","New J. Chem.","2017","41","19","10750","10760","10.1039/C7NJ02322G","","","0.71073","MoKα","","0.1413","0.0715","","","0.1449","0.1833","","","","","","1.01","","","","has coordinates","301851","2025-08-21","20:32:56",""
"7056531","9.4179","0.0005","9.5207","0.0005","16.3424","0.0008","86.803","0.004","88.439","0.003","69.925","0.004","1374.12","0.13","296","2","296.15","","","","","","","","","4","P -1","-P 1","2","","","","- C32 H28 N6 O6 -","- C32 H28 N6 O6 -","- C64 H56 N12 O12 -","2","1","","Baruah, Jubaraj Bikash; Tarai, Arup","Competing phenol-imidazole and phenol-phenol interactions in flexible supramolecular environment of N,N'-bis(3-imidazol-1-yl-propyl)naphthalenediimide causing domain expansion","New J. Chem.","2017","41","19","10750","10760","10.1039/C7NJ02322G","","","0.71073","MoKα","","0.1039","0.0621","","","0.1604","0.1959","","","","","","1.049","","","","has coordinates,has disorder","301442","2025-08-04","07:32:05",""
"7056532","9.7353","0.0004","14.6502","0.0006","11.7908","0.0005","90","","97.654","0.003","90","","1666.67","0.12","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C38 H34 N6 O8 -","- C38 H34 N6 O8 -","- C76 H68 N12 O16 -","2","0.5","","Baruah, Jubaraj Bikash; Tarai, Arup","Competing phenol-imidazole and phenol-phenol interactions in flexible supramolecular environment of N,N'-bis(3-imidazol-1-yl-propyl)naphthalenediimide causing domain expansion","New J. Chem.","2017","41","19","10750","10760","10.1039/C7NJ02322G","","","0.71073","MoKα","","0.0758","0.0437","","","0.101","0.1126","","","","","","1.081","","","","has coordinates","301851","2025-08-21","20:32:56",""
"7056533","9.347","","9.949","","10.194","","106.19","","101.69","","110.1","","806.765","","293","2","293","2","","","","","","","","4","P -1","-P 1","2","azine","(1E,2E)-1-(4-ethoxybenzylidene)-2-(1-(4-nitrophenyl)ethylidene)hydrazine","","- C17 H17 N3 O3 -","- C17 H17 N3 O3 -","- C34 H34 N6 O6 -","2","1","","Valverde, Clodoaldo; Fonseca Vaz, Wesley; Custódio, Jean; Duarte, Vitor; Carvalho Jr, Paulo de Sousa; Figueredo, Andreza; Aquino, Gilberto Lúcio Benedito; Baseia, Basilio; Napolitano, Hamilton","Solid State Structure and Environmental Polarization Effect of a Novel Asymmetric Azine","New J. Chem.","2017","41","19","11361","11371","10.1039/C7NJ00618G","","","0.71073","MoKα","","0.078","0.0624","","","0.1706","0.1908","","","","","","1.03","","","","has coordinates","301851","2025-08-21","20:32:56",""
"7056534","7.7389","0.0005","9.6787","0.0006","13.1985","0.0008","81.999","0.002","75","0.001","75.514","0.002","921.62","0.1","298","2","298","2","","","","","","","","5","P -1","-P 1","2","DDL-JE10_55","","","- C15 H12 Er O9 S3 -","- C15 H12 Er O9 S3 -","- C30 H24 Er2 O18 S6 -","2","1","","Einkauf, Jeffrey D.; Ortega, Raul E.; Mathivathanan, Logesh; de Lill, Daniel T.","Nitroaromatic sensing with a new lanthanide coordination polymer [Ln2(C10H4O4S2)3(H2O)6]n (Ln = Sm-Yb) assembled by 2,2’-bithiophene-5,5’-dicarboxylate","New J. Chem.","2017","41","19","10929","10934","10.1039/C7NJ01677H","","","0.71073","MoKα","","0.0308","0.0264","","","0.0589","0.0607","","","","","","1.113","","","","has coordinates","301442","2025-08-04","07:32:07",""
"7056535","17.2827","0.0006","21.8727","0.0011","21.3196","0.0008","90","","103.353","0.003","90","","7841.3","0.6","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C172 H170 Cu2 N8 Ni2 O34 Tb2 -","- C172 H170 Cu2 N8 Ni2 O34 Tb2 -","- C344 H340 Cu4 N16 Ni4 O68 Tb4 -","2","0.5","","Zhu, Zhao-Xia; Cai, Li-Zheng; Deng, Xiao-Wei; Zhou, Yanling; Yao, Min-Xia","Synthesis, structures and magnetism of heterotrimetallic Ni-Cu-Ln complexes based on a dicompartmental imine-oxime ligand","New J. Chem.","2017","41","19","11097","11103","10.1039/C7NJ01955F","","","0.71073","MoKα","","0.1004","0.0514","","","0.1223","0.1366","","","","","","1.097","","","","has coordinates","301442","2025-08-04","07:32:16",""
"7056536","17.2908","0.0017","22.264","0.002","21.455","0.002","90","","103.966","0.007","90","","8015.2","1.3","296","2","296","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C170 H166 Cu2 Gd2 N8 Ni2 O34 -","- C170 H166 Cu2 Gd2 N8 Ni2 O34 -","- C340 H332 Cu4 Gd4 N16 Ni4 O68 -","2","0.5","","Zhu, Zhao-Xia; Cai, Li-Zheng; Deng, Xiao-Wei; Zhou, Yanling; Yao, Min-Xia","Synthesis, structures and magnetism of heterotrimetallic Ni-Cu-Ln complexes based on a dicompartmental imine-oxime ligand","New J. Chem.","2017","41","19","11097","11103","10.1039/C7NJ01955F","","","0.71073","MoKα","","0.136","0.0699","","","0.1857","0.2161","","","","","","1.257","","","","has coordinates","301442","2025-08-04","07:32:18",""
"7056537","17.2892","0.0007","21.8955","0.001","21.2964","0.0008","90","","103.845","0.003","90","","7827.6","0.6","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C172 H170 Cu2 Ho2 N8 Ni2 O34 -","- C172 H170 Cu2 Ho2 N8 Ni2 O34 -","- C344 H340 Cu4 Ho4 N16 Ni4 O68 -","2","0.5","","Zhu, Zhao-Xia; Cai, Li-Zheng; Deng, Xiao-Wei; Zhou, Yanling; Yao, Min-Xia","Synthesis, structures and magnetism of heterotrimetallic Ni-Cu-Ln complexes based on a dicompartmental imine-oxime ligand","New J. Chem.","2017","41","19","11097","11103","10.1039/C7NJ01955F","","","0.71073","MoKα","","0.1159","0.0597","","","0.148","0.1687","","","","","","1.102","","","","has coordinates","301442","2025-08-04","07:32:30",""
"7056538","17.2908","0.0017","22.264","0.002","21.455","0.002","90","","103.966","0.007","90","","8015.2","1.3","296","2","296","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C172 H170 Cu2 Dy2 N8 Ni2 O34 -","- C172 H170 Cu2 Dy2 N8 Ni2 O34 -","- C344 H340 Cu4 Dy4 N16 Ni4 O68 -","2","0.5","","Zhu, Zhao-Xia; Cai, Li-Zheng; Deng, Xiao-Wei; Zhou, Yanling; Yao, Min-Xia","Synthesis, structures and magnetism of heterotrimetallic Ni-Cu-Ln complexes based on a dicompartmental imine-oxime ligand","New J. Chem.","2017","41","19","11097","11103","10.1039/C7NJ01955F","","","0.71073","MoKα","","0.1059","0.0672","","","0.1774","0.1914","","","","","","1.045","","","","has coordinates","301442","2025-08-04","07:32:43",""
"7056539","9.1606","0.0009","9.1763","0.001","15.3777","0.0019","90","","90","","90","","1292.7","0.2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H7 F5 N2 -","- C15 H7 F5 N2 -","- C60 H28 F20 N8 -","4","1","","Prasannan, Dijo; Arunkumar, Chellaiah","Pentafluorophenyl dipyrrin as probe for transition metal ion detection and its bioremediation in Bacillus subtilis and Bacillus cereus","New J. Chem.","2017","41","19","11190","11200","10.1039/C7NJ02157G","","","0.71073","MoKα","","0.0433","0.0378","","","0.0989","0.1058","","","","","","1.081","","","","has coordinates","301851","2025-08-21","20:32:56",""
"7056540","18.125","0.002","18.125","0.002","18.125","0.003","90","","90","","90","","5954.3","1.4","298","2","298","2","","","","","","","","5","I 2 3","I 2 2 3","197","","","","- C36 H74 Cl6 N20 O4 -","- C36 H74.0004 Cl6.0002 N20 O3.9999 -","- C144 H296.002 Cl24.0008 N80 O15.9996 -","4","0.166667","","Matyuska, Ferenc; Nagy, Nora V.; Benyei, Attila; Gajda, Tamás","Control of structure, stability and catechol oxidase activity of copper(II) complexes by the denticity of tripodal platforms","New J. Chem.","2017","41","20","11647","11660","10.1039/C7NJ02013A","","","0.71073","MoKα","","0.0984","0.0878","","","","0.2403","","","","","","1.041","","","","has coordinates","301442","2025-08-04","07:32:55",""
"7056541","17.1341","0.0013","9.4399","0.0006","17.6883","0.0014","90","","117.219","0.001","90","","2544.2","0.3","103","2","103","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(tris[2-(5-pyrazolylmethyl)aminoethyl]amine-N,N',N"",N'"",N"""")-copper(II) diperchlorate","","- C18 H30 Cl2 Cu N10 O8 -","- C18 H30 Cl2 Cu N10 O8 -","- C72 H120 Cl8 Cu4 N40 O32 -","4","1","","Matyuska, Ferenc; Nagy, Nora V.; Benyei, Attila; Gajda, Tamás","Control of structure, stability and catechol oxidase activity of copper(II) complexes by the denticity of tripodal platforms","New J. Chem.","2017","41","20","11647","11660","10.1039/C7NJ02013A","","","0.71073","MoKα","","0.0563","0.0491","","","0.1205","0.1259","","","","","","1.046","","","","has coordinates,has disorder","301851","2025-08-21","20:32:56",""
"7056542","7.798","0.004","23.059","0.003","9.942","0.002","90","","111.31","0.03","90","","1665.5","1","294","2","294","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1'-Methyldispiro[cyclooctane-1,3'-pyrrolidine-2',2''-indene]-1'',2,3''-trione","","- C20 H23 N O3 -","- C20 H23 N O3 -","- C80 H92 N4 O12 -","4","1","","Seeni, Maharani; Vivek Kumar, Sundaravel; Almansour, Abdulrahman Ibrahim; Kumar, Raju; K, Anitha; Raju, Ranjith Kumar","Synthesis of penta- and tetra-cyclic cage-like compounds and dispiro heterocycles through microwave-assisted solvent-free multi-component domino reactions","New J. Chem.","2017","41","19","11009","11015","10.1039/C7NJ01673E","","","0.71073","MoKα","","0.0364","0.0311","","","0.0803","0.0921","","","","","","1.034","","","","has coordinates","301851","2025-08-21","20:32:56",""
"7056543","7.5616","0.0007","8.9033","0.0008","10.8091","0.0011","72.764","0.011","80.486","0.012","72.369","0.011","660.09","0.12","294","2","294","2","","","","","","","","4","P -1","-P 1","2","","5a,10a-Dihydroxy-3-methyl-2,3,4,5,5a,10a-hexahydro-1,5-methanoindeno [1,2-d] azepine-10,11(1H)-dione","","- C15 H15 N O4 -","- C15 H15 N O4 -","- C30 H30 N2 O8 -","2","1","","Seeni, Maharani; Vivek Kumar, Sundaravel; Almansour, Abdulrahman Ibrahim; Kumar, Raju; K, Anitha; Raju, Ranjith Kumar","Synthesis of penta- and tetra-cyclic cage-like compounds and dispiro heterocycles through microwave-assisted solvent-free multi-component domino reactions","New J. Chem.","2017","41","19","11009","11015","10.1039/C7NJ01673E","","","0.71073","MoKα","","0.0427","0.037","","","0.0927","0.0969","","","","","","1.107","","","","has coordinates","301442","2025-08-04","07:33:22",""
"7056544","9.2706","0.0009","19.7818","0.0018","10.5006","0.001","90","","93.572","0.001","90","","1922","0.3","294","2","294","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","5-Benzyl-7a-hydroxy-1-methyl-2,3,5,6,7,7a-hexahydro-1H-3a,7-methano-indeno[2,1-d]pyrrolo[3,2-c]azepine-12,13(4H)-dione","","- C24 H24 N2 O3 -","- C24 H24 N2 O3 -","- C96 H96 N8 O12 -","4","1","","Seeni, Maharani; Vivek Kumar, Sundaravel; Almansour, Abdulrahman Ibrahim; Kumar, Raju; K, Anitha; Raju, Ranjith Kumar","Synthesis of penta- and tetra-cyclic cage-like compounds and dispiro heterocycles through microwave-assisted solvent-free multi-component domino reactions","New J. Chem.","2017","41","19","11009","11015","10.1039/C7NJ01673E","","","0.71073","MoKα","","0.0434","0.04","","","0.1059","0.1092","","","","","","1.043","","","","has coordinates","301851","2025-08-21","20:32:56",""
"7056545","11.7935","0.001","12.3784","0.001","24.81","0.002","90","","90","","90","","3621.9","0.5","294","2","294","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","6a-Hydroxy-1-methyl-4-phenyl-2,3,6,6a-tetrahydro-1H,4H,11H-3a,6-methanoindeno [2',1':4,5]thiopyrano[4,3-b]pyrrole-11,12-dione","","- C22 H19 N O3 S -","- C22 H19 N O3 S -","- C176 H152 N8 O24 S8 -","8","1","","Seeni, Maharani; Vivek Kumar, Sundaravel; Almansour, Abdulrahman Ibrahim; Kumar, Raju; K, Anitha; Raju, Ranjith Kumar","Synthesis of penta- and tetra-cyclic cage-like compounds and dispiro heterocycles through microwave-assisted solvent-free multi-component domino reactions","New J. Chem.","2017","41","19","11009","11015","10.1039/C7NJ01673E","","","0.71073","MoKα","","0.0333","0.0315","","","0.0897","0.0917","","","","","","1.055","","","","has coordinates","301851","2025-08-21","20:32:56",""
"7056546","13.535","0.005","23.826","0.005","8.463","0.005","90","","104.28","0.005","90","","2644.9","1.9","296","2","296","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- C46 H52 Lu2 O27 -","- C46 H38 Lu2 O27 -","- C92 H76 Lu4 O54 -","2","0.25","","shi, tian; Chen, Ya-Guang; Ren, Xiao-Yan","Synthesis, characterization and properties of lanthanide coordination polymers with 3,5-bis(4-carboxyphenylmethyloxy) benzoic acid","New J. Chem.","2017","41","19","11215","11224","10.1039/C7NJ01650F","","","0.71069","MoKα","","0.0584","0.0412","","","0.0955","0.121","","","","","","1.101","","","","has coordinates,has disorder","301442","2025-08-04","07:33:24",""
"7056547","13.538","0.005","23.892","0.005","8.482","0.005","90","","104.265","0.005","90","","2658.9","1.9","296","2","296","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- C46 H52 Er2 O27 -","- C46 H38 Er2 O27 -","- C92 H76 Er4 O54 -","2","0.25","","shi, tian; Chen, Ya-Guang; Ren, Xiao-Yan","Synthesis, characterization and properties of lanthanide coordination polymers with 3,5-bis(4-carboxyphenylmethyloxy) benzoic acid","New J. Chem.","2017","41","19","11215","11224","10.1039/C7NJ01650F","","","0.71069","MoKα","","0.0376","0.0297","","","0.0718","0.0751","","","","","","1.056","","","","has coordinates,has disorder","301442","2025-08-04","07:33:24",""
"7056548","22.702","0.005","7.53","0.005","29.233","0.005","90","","90","","90","","4997","4","296","2","296","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C23 H24 Ce O12.5 -","- C23 H15 Ce O8 -","- C184 H120 Ce8 O64 -","8","1","","shi, tian; Chen, Ya-Guang; Ren, Xiao-Yan","Synthesis, characterization and properties of lanthanide coordination polymers with 3,5-bis(4-carboxyphenylmethyloxy) benzoic acid","New J. Chem.","2017","41","19","11215","11224","10.1039/C7NJ01650F","","","0.71069","MoKα","","0.1001","0.0453","","","0.089","0.1177","","","","","","0.987","","","","has coordinates,has disorder","301442","2025-08-04","07:33:24",""
"7056549","22.645","0.003","7.6075","0.001","29.26","0.004","90","","90","","90","","5040.7","1.2","296","2","296","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C23 H24 La O12.5 -","- C23 H15 La O8 -","- C184 H120 La8 O64 -","8","1","","shi, tian; Chen, Ya-Guang; Ren, Xiao-Yan","Synthesis, characterization and properties of lanthanide coordination polymers with 3,5-bis(4-carboxyphenylmethyloxy) benzoic acid","New J. Chem.","2017","41","19","11215","11224","10.1039/C7NJ01650F","","","0.71073","MoKα","","0.1289","0.0546","","","0.1123","0.1452","","","","","","0.97","","","","has coordinates,has disorder","301442","2025-08-04","07:33:24",""
"7056550","13.544","0.005","23.806","0.005","8.457","0.005","90","","104.523","0.005","90","","2639.6","1.9","296","2","296","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- C46 H52 O27 Tm2 -","- C46 H38 O27 Tm2 -","- C92 H76 O54 Tm4 -","2","0.25","","shi, tian; Chen, Ya-Guang; Ren, Xiao-Yan","Synthesis, characterization and properties of lanthanide coordination polymers with 3,5-bis(4-carboxyphenylmethyloxy) benzoic acid","New J. Chem.","2017","41","19","11215","11224","10.1039/C7NJ01650F","","","0.71069","MoKα","","0.0452","0.0363","","","0.081","0.0905","","","","","","1.076","","","","has coordinates,has disorder","301442","2025-08-04","07:33:24",""
"7056553","5.4915","0.0002","17.403","0.0005","24.2402","0.0007","90","","90","","90","","2316.6","0.13","297","2","297","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H22 Cu N2 O5 -","- C26 H22 Cu N2 O5 -","- C104 H88 Cu4 N8 O20 -","4","1","","Ahmed, Faruk; Halder, Soumi; Dutta, Basudeb; Islam, Sakhiul; Sen, Chandana; Kundu, Suman; Sinha, Chittaranjan; Ray, Partha Pratim; Mir, Mohammad Hedayetullah","Synthesis and structural characterization of Cu(II)-based 1D coordination polymer and its application in Schottky device","New J. Chem.","2017","41","19","11317","11323","10.1039/C7NJ01557G","","","0.71073","MoKα","","0.048","0.0417","","","0.0967","0.0998","","","","","","1.159","","","","has coordinates","301442","2025-08-04","07:33:24",""
"7056554","22.2759","0.0003","22.2759","0.0003","16.4697","0.0006","90","","90","","120","","7077.6","0.3","293","2","293","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C84 H102 Cl6 Cu7 N12 O21 Zn2 -","- C84 H102 Cl6 Cu7 N12 O20.9998 Zn2 -","- C252 H306 Cl18 Cu21 N36 O62.9994 Zn6 -","3","0.166667","","Li, Xiaoqin; Ma, Dan; Cao, Bingran; Lu, Ying","Windmill-type mixed-metal clusters containing schiff-base ligands as efficient catalyst for cyclohexene oxidation","New J. Chem.","2017","41","20","11619","11625","10.1039/C7NJ02359F","","","0.71073","MoKα","","0.0792","0.0653","","","0.1808","0.1934","","","","","","1.038","","","","has coordinates,has disorder","301442","2025-08-04","07:33:25",""
"7056555","22.3264","0.0003","22.3264","0.0003","16.4388","0.0006","90","","90","","120","","7096.4","0.3","293","2","293","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C84 H102 Cl6 Cu7 Mn2 N12 O21 -","- C84 H102 Cl6 Cu7 Mn2 N12 O20.9998 -","- C252 H306.001 Cl18 Cu21 Mn6 N36 O62.9994 -","3","0.166667","","Li, Xiaoqin; Ma, Dan; Cao, Bingran; Lu, Ying","Windmill-type mixed-metal clusters containing schiff-base ligands as efficient catalyst for cyclohexene oxidation","New J. Chem.","2017","41","20","11619","11625","10.1039/C7NJ02359F","","","0.71073","MoKα","","0.0707","0.0511","","","0.1285","0.147","","","","","","1.027","","","","has coordinates,has disorder","301442","2025-08-04","07:33:25",""
"7056556","8.486","0.0004","12.0008","0.0007","12.9636","0.0007","112.276","0.005","97.062","0.004","108.048","0.004","1117.37","0.12","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H22 N2 Ni2 O5 -","- C27 H22 N2 Ni2 O5 -","- C54 H44 N4 Ni4 O10 -","2","1","","Nemec, Ivan; Herchel, Radovan; Machata, Marek; Travnicek, Zdenek","Tetranuclear Ni(II) and Co(II) Schiff-base complexes with an M4O6 defective dicubane-like core: zero-field SMM behavior in the cobalt analogue","New J. Chem.","2017","41","19","11258","11267","10.1039/C7NJ02281F","","","0.71073","MoKα","","0.0505","0.034","","","0.0713","0.0767","","","","","","0.975","","","","has coordinates,has disorder","301851","2025-08-21","20:32:56",""
"7056557","12.6657","0.001","10.6594","0.0009","11.1921","0.0009","90","","115.08","0.002","90","","1368.57","0.19","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C20 H12 Br0.29 F1.71 -","- C20 H12 Br0.29 F1.71 -","- C80 H48 Br1.16 F6.84 -","4","0.5","","Budniak, Adam K.; Masny, Michał; Prezelj, Kristina; Grzeszkiewicz, Mikołaj; Gawraczyński, Jakub; Dobrzycki, Łukasz; Cyrański, Michał K.; Koźmiński, Wiktor; Mazej, Zoran; Fijałkowski, Karol J.; Grochala, Wojciech; Leszczyński, Piotr J.","Reconnaissance of reactivity of an Ag(ii)SO4 one-electron oxidizer towards naphthalene derivatives","New J. Chem.","2017","41","19","10742","10749","10.1039/C7NJ02299A","","","0.71073","MoKα","","0.0529","0.0473","","","0.0981","0.0997","","","","","","1.243","","","","has coordinates","301442","2025-08-04","07:33:26",""
"7056558","7.3184","0.0005","12.8258","0.0009","18.0272","0.0013","109.369","0.002","90.011","0.002","102.874","0.002","1551.16","0.19","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C20 H12 Br2 -","- C20 H12 Br2 -","- C80 H48 Br8 -","4","2","","Budniak, Adam K.; Masny, Michał; Prezelj, Kristina; Grzeszkiewicz, Mikołaj; Gawraczyński, Jakub; Dobrzycki, Łukasz; Cyrański, Michał K.; Koźmiński, Wiktor; Mazej, Zoran; Fijałkowski, Karol J.; Grochala, Wojciech; Leszczyński, Piotr J.","Reconnaissance of reactivity of an Ag(ii)SO4 one-electron oxidizer towards naphthalene derivatives","New J. Chem.","2017","41","19","10742","10749","10.1039/C7NJ02299A","","","0.71073","MoKα","","0.0406","0.0316","","","0.0631","0.0664","","","","","","1.089","","","","has coordinates","301851","2025-08-21","20:32:56",""
"7056559","12.4551","0.0009","10.6234","0.0008","11.1894","0.0008","90","","115.483","0.0016","90","","1336.49","0.17","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C20 H12 F2 -","- C20 H12 F2 -","- C80 H48 F8 -","4","0.5","","Budniak, Adam K.; Masny, Michał; Prezelj, Kristina; Grzeszkiewicz, Mikołaj; Gawraczyński, Jakub; Dobrzycki, Łukasz; Cyrański, Michał K.; Koźmiński, Wiktor; Mazej, Zoran; Fijałkowski, Karol J.; Grochala, Wojciech; Leszczyński, Piotr J.","Reconnaissance of reactivity of an Ag(ii)SO4 one-electron oxidizer towards naphthalene derivatives","New J. Chem.","2017","41","19","10742","10749","10.1039/C7NJ02299A","","","0.71073","MoKα","","0.0378","0.0346","","","0.0979","0.101","","","","","","1.061","","","","has coordinates","301851","2025-08-21","20:32:56",""
"7056560","12.6621","0.0009","10.6518","0.0008","11.173","0.0008","90","","115.065","0.002","90","","1365.04","0.17","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C20 H12 Cl0.33 F1.67 -","- C20 H12 Cl0.328 F1.672 -","- C80 H48 Cl1.312 F6.688 -","4","0.5","","Budniak, Adam K.; Masny, Michał; Prezelj, Kristina; Grzeszkiewicz, Mikołaj; Gawraczyński, Jakub; Dobrzycki, Łukasz; Cyrański, Michał K.; Koźmiński, Wiktor; Mazej, Zoran; Fijałkowski, Karol J.; Grochala, Wojciech; Leszczyński, Piotr J.","Reconnaissance of reactivity of an Ag(ii)SO4 one-electron oxidizer towards naphthalene derivatives","New J. Chem.","2017","41","19","10742","10749","10.1039/C7NJ02299A","","","0.71073","MoKα","","0.0361","0.0318","","","0.0859","0.089","","","","","","1.1","","","","has coordinates","301442","2025-08-04","07:33:28",""
"7056561","13.6675","0.0011","8.1974","0.0007","14.9831","0.0012","90","","90.5433","0.0019","90","","1678.6","0.2","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C22 H12 F6 -","- C22 H12 F6 -","- C88 H48 F24 -","4","1","","Budniak, Adam K.; Masny, Michał; Prezelj, Kristina; Grzeszkiewicz, Mikołaj; Gawraczyński, Jakub; Dobrzycki, Łukasz; Cyrański, Michał K.; Koźmiński, Wiktor; Mazej, Zoran; Fijałkowski, Karol J.; Grochala, Wojciech; Leszczyński, Piotr J.","Reconnaissance of reactivity of an Ag(ii)SO4 one-electron oxidizer towards naphthalene derivatives","New J. Chem.","2017","41","19","10742","10749","10.1039/C7NJ02299A","","","0.71073","MoKα","","0.0357","0.0303","","","0.0746","0.0788","","","","","","1.075","","","","has coordinates","301851","2025-08-21","20:32:56",""
"7056562","13.619","0.0007","10.5374","0.0006","11.4528","0.0006","90","","115.295","0.001","90","","1485.99","0.14","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C20 H12 Br2 -","- C20 H12 Br2 -","- C80 H48 Br8 -","4","0.5","","Budniak, Adam K.; Masny, Michał; Prezelj, Kristina; Grzeszkiewicz, Mikołaj; Gawraczyński, Jakub; Dobrzycki, Łukasz; Cyrański, Michał K.; Koźmiński, Wiktor; Mazej, Zoran; Fijałkowski, Karol J.; Grochala, Wojciech; Leszczyński, Piotr J.","Reconnaissance of reactivity of an Ag(ii)SO4 one-electron oxidizer towards naphthalene derivatives","New J. Chem.","2017","41","19","10742","10749","10.1039/C7NJ02299A","","","0.71073","MoKα","","0.0355","0.0303","","","0.0791","0.0812","","","","","","1.167","","","","has coordinates","301851","2025-08-21","20:32:56",""
"7056563","13.1656","0.001","10.6206","0.0008","11.2471","0.0009","90","","115.052","0.0018","90","","1424.7","0.19","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C20 H12 Cl2 -","- C20 H12 Cl2 -","- C80 H48 Cl8 -","4","0.5","","Budniak, Adam K.; Masny, Michał; Prezelj, Kristina; Grzeszkiewicz, Mikołaj; Gawraczyński, Jakub; Dobrzycki, Łukasz; Cyrański, Michał K.; Koźmiński, Wiktor; Mazej, Zoran; Fijałkowski, Karol J.; Grochala, Wojciech; Leszczyński, Piotr J.","Reconnaissance of reactivity of an Ag(ii)SO4 one-electron oxidizer towards naphthalene derivatives","New J. Chem.","2017","41","19","10742","10749","10.1039/C7NJ02299A","","","0.71073","MoKα","","0.0406","0.0331","","","0.0786","0.0831","","","","","","1.077","","","","has coordinates","301851","2025-08-21","20:32:56",""
"7056564","27.406","0.003","6.3564","0.0006","9.5554","0.0009","90","","106.745","0.0017","90","","1594","0.3","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C20 H12 I2 -","- C20 H12 I2 -","- C80 H48 I8 -","4","0.5","","Budniak, Adam K.; Masny, Michał; Prezelj, Kristina; Grzeszkiewicz, Mikołaj; Gawraczyński, Jakub; Dobrzycki, Łukasz; Cyrański, Michał K.; Koźmiński, Wiktor; Mazej, Zoran; Fijałkowski, Karol J.; Grochala, Wojciech; Leszczyński, Piotr J.","Reconnaissance of reactivity of an Ag(ii)SO4 one-electron oxidizer towards naphthalene derivatives","New J. Chem.","2017","41","19","10742","10749","10.1039/C7NJ02299A","","","0.71073","MoKα","","0.0342","0.0205","","","0.0476","0.0538","","","","","","1.104","","","","has coordinates","301851","2025-08-21","20:32:56",""
"7056565","12.6657","0.001","10.6594","0.0009","11.1921","0.0009","90","","115.08","0.002","90","","1368.57","0.19","100","2","100","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C40 H24 Br0.57 F3.43 -","- C40 H24 Br0.57 F3.43 -","- C80 H48 Br1.14 F6.86 -","2","0.5","","Budniak, Adam K.; Masny, Michał; Prezelj, Kristina; Grzeszkiewicz, Mikołaj; Gawraczyński, Jakub; Dobrzycki, Łukasz; Cyrański, Michał K.; Koźmiński, Wiktor; Mazej, Zoran; Fijałkowski, Karol J.; Grochala, Wojciech; Leszczyński, Piotr J.","Reconnaissance of reactivity of an Ag(ii)SO4 one-electron oxidizer towards naphthalene derivatives","New J. Chem.","2017","41","19","10742","10749","10.1039/C7NJ02299A","","","0.71073","MoKα","","0.0451","0.0359","","","0.0901","0.0938","","","","","","1.067","","","","has coordinates","301442","2025-08-04","07:33:28",""
"7056566","12.6575","0.0011","10.6532","0.0009","11.1899","0.001","90","","115.098","0.002","90","","1366.4","0.2","100","2","100","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C40 H24 Br0.55 F3.45 -","- C40 H24 Br0.55 F3.45 -","- C80 H48 Br1.1 F6.9 -","2","0.5","","Budniak, Adam K.; Masny, Michał; Prezelj, Kristina; Grzeszkiewicz, Mikołaj; Gawraczyński, Jakub; Dobrzycki, Łukasz; Cyrański, Michał K.; Koźmiński, Wiktor; Mazej, Zoran; Fijałkowski, Karol J.; Grochala, Wojciech; Leszczyński, Piotr J.","Reconnaissance of reactivity of an Ag(ii)SO4 one-electron oxidizer towards naphthalene derivatives","New J. Chem.","2017","41","19","10742","10749","10.1039/C7NJ02299A","","","0.71073","MoKα","","0.0474","0.0344","","","0.0761","0.0815","","","","","","1.034","","","","has coordinates","301442","2025-08-04","07:33:28",""
"7056567","10.1208","0.0004","25.0267","0.001","33.4392","0.0014","90","","92.0165","0.0013","90","","8464.6","0.6","100","2","100","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- C32 H22 -","- C32 H22 -","- C512 H352 -","16","4","","Budniak, Adam K.; Masny, Michał; Prezelj, Kristina; Grzeszkiewicz, Mikołaj; Gawraczyński, Jakub; Dobrzycki, Łukasz; Cyrański, Michał K.; Koźmiński, Wiktor; Mazej, Zoran; Fijałkowski, Karol J.; Grochala, Wojciech; Leszczyński, Piotr J.","Reconnaissance of reactivity of an Ag(ii)SO4 one-electron oxidizer towards naphthalene derivatives","New J. Chem.","2017","41","19","10742","10749","10.1039/C7NJ02299A","","","1.54178","CuKα","","0.1097","0.0694","","","0.1648","0.2076","","","","","","1.087","","","","has coordinates","301851","2025-08-21","20:32:56",""
"7056568","12.6399","0.0011","10.6517","0.0009","11.176","0.001","90","","115.128","0.002","90","","1362.3","0.2","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C20 H12 Cl0.33 F1.67 -","- C20 H12 Cl0.326 F1.674 -","- C80 H48 Cl1.304 F6.696 -","4","0.5","","Budniak, Adam K.; Masny, Michał; Prezelj, Kristina; Grzeszkiewicz, Mikołaj; Gawraczyński, Jakub; Dobrzycki, Łukasz; Cyrański, Michał K.; Koźmiński, Wiktor; Mazej, Zoran; Fijałkowski, Karol J.; Grochala, Wojciech; Leszczyński, Piotr J.","Reconnaissance of reactivity of an Ag(ii)SO4 one-electron oxidizer towards naphthalene derivatives","New J. Chem.","2017","41","19","10742","10749","10.1039/C7NJ02299A","","","0.71073","MoKα","","0.0357","0.032","","","0.0852","0.088","","","","","","1.113","","","","has coordinates","301442","2025-08-04","07:33:28",""
"7056569","16.4376","0.0011","12.9727","0.0009","7.2813","0.0005","90","","90","","90","","1552.66","0.18","100","2","100","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C20 H12 Br2 -","- C20 H12 Br2 -","- C80 H48 Br8 -","4","1","","Budniak, Adam K.; Masny, Michał; Prezelj, Kristina; Grzeszkiewicz, Mikołaj; Gawraczyński, Jakub; Dobrzycki, Łukasz; Cyrański, Michał K.; Koźmiński, Wiktor; Mazej, Zoran; Fijałkowski, Karol J.; Grochala, Wojciech; Leszczyński, Piotr J.","Reconnaissance of reactivity of an Ag(ii)SO4 one-electron oxidizer towards naphthalene derivatives","New J. Chem.","2017","41","19","10742","10749","10.1039/C7NJ02299A","","","0.71073","MoKα","","0.0182","0.017","","","0.0421","0.0426","","","","","","1.082","","","","has coordinates","301851","2025-08-21","20:32:56",""
"7056570","12.6575","0.0011","10.6532","0.0009","11.1899","0.001","90","","115.098","0.002","90","","1366.4","0.2","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C20 H12 Br0.28 F1.72 -","- C20 H12 Br0.282 F1.718 -","- C80 H48 Br1.128 F6.872 -","4","0.5","","Budniak, Adam K.; Masny, Michał; Prezelj, Kristina; Grzeszkiewicz, Mikołaj; Gawraczyński, Jakub; Dobrzycki, Łukasz; Cyrański, Michał K.; Koźmiński, Wiktor; Mazej, Zoran; Fijałkowski, Karol J.; Grochala, Wojciech; Leszczyński, Piotr J.","Reconnaissance of reactivity of an Ag(ii)SO4 one-electron oxidizer towards naphthalene derivatives","New J. Chem.","2017","41","19","10742","10749","10.1039/C7NJ02299A","","","0.71073","MoKα","","0.0594","0.0515","","","0.1004","0.1026","","","","","","1.325","","","","has coordinates","301442","2025-08-04","07:33:28",""
"7056571","20.2205","0.0015","12.0071","0.0008","13.185","0.001","90","","98.761","0.003","90","","3163.8","0.4","150","2","150.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H34 Cl Mn N6 O6 -","- C32 H34 Cl Mn N6 O6 -","- C128 H136 Cl4 Mn4 N24 O24 -","4","1","","Banerjee, Saikat; Brandao, Paula; Bauza, Antonio; Frontera, Antonio; Barcelo-Oliver, Miquel; Panja, Anangamohan; Saha, Amrita","Nuclearity versus oxidation state in catalytic efficiency of MnII/III azo Schiff base complexes: Computational study on supramolecular interactions and phenoxazinone synthase like activity","New J. Chem.","2017","41","20","11607","11618","10.1039/C7NJ02280H","","","0.71073","MoKα","","0.1248","0.0676","","","0.1815","0.2284","","","","","","1.041","","","","has coordinates","301442","2025-08-04","07:33:28",""
"7056572","8.375","0.0002","14.7703","0.0004","31.987","0.0009","90","","92.029","0.001","90","","3954.35","0.18","150","2","150.15","","","","","","","","","7","P 1 2/c 1","-P 2yc","13","","","","- C70 H84 Cl2 Mn2 N18 O14 Zn2 -","- C70 H84 Cl2 Mn2 N18 O14 Zn2 -","- C140 H168 Cl4 Mn4 N36 O28 Zn4 -","2","0.5","","Banerjee, Saikat; Brandao, Paula; Bauza, Antonio; Frontera, Antonio; Barcelo-Oliver, Miquel; Panja, Anangamohan; Saha, Amrita","Nuclearity versus oxidation state in catalytic efficiency of MnII/III azo Schiff base complexes: Computational study on supramolecular interactions and phenoxazinone synthase like activity","New J. Chem.","2017","41","20","11607","11618","10.1039/C7NJ02280H","","","0.71073","MoKα","","0.083","0.0613","","","0.1815","0.1995","","","","","","1.055","","","","has coordinates,has disorder","301442","2025-08-04","07:33:29",""
"7056573","24.2226","0.0012","7.8812","0.0003","25.4161","0.0013","90","","120.284","0.007","90","","4189.9","0.5","100","0.1","100","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","SebdtSe","","- C22 H22 N4 S Se2 -","- C22 H22 N4 S Se2 -","- C176 H176 N32 S8 Se16 -","8","1","","Ghosh, Sirina; Das, Sarasija; Kumar, Neha Rani; Agrawal, Abhijeet R.; Zade, Sanjio S.","Effect of heteroatom (S/Se) juggling in donor-acceptor-donor (D-A-D) fused systems: synthesis and electrochemical polymerization","New J. Chem.","2017","41","20","11568","11575","10.1039/C7NJ02394D","","x-ray","0.71073","MoKα","","0.0405","0.0347","","","0.0856","0.0892","","","","","","1.063","","","","has coordinates","301851","2025-08-21","20:32:56",""
"7056574","24.0368","0.0011","7.8856","0.0003","24.6824","0.0011","90","","118.162","0.006","90","","4124.6","0.4","293.15","","293.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","SbdSeS","","- C22 H22 N4 S2 Se -","- C22 H22 N4 S2 Se -","- C176 H176 N32 S16 Se8 -","8","1","","Ghosh, Sirina; Das, Sarasija; Kumar, Neha Rani; Agrawal, Abhijeet R.; Zade, Sanjio S.","Effect of heteroatom (S/Se) juggling in donor-acceptor-donor (D-A-D) fused systems: synthesis and electrochemical polymerization","New J. Chem.","2017","41","20","11568","11575","10.1039/C7NJ02394D","","","0.71073","","","0.035303","0.031109","","","","0.116105","","","","","","0.950288","","","","has coordinates","301851","2025-08-21","20:32:56",""
"7056575","20.6742","0.0008","14.3417","0.0005","16.3414","0.0007","90","","111.545","0.004","90","","4506.7","0.3","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","SbdtS","","- C22 H22 N4 S3 -","- C22 H22 N4 S3 -","- C176 H176 N32 S24 -","8","1","","Ghosh, Sirina; Das, Sarasija; Kumar, Neha Rani; Agrawal, Abhijeet R.; Zade, Sanjio S.","Effect of heteroatom (S/Se) juggling in donor-acceptor-donor (D-A-D) fused systems: synthesis and electrochemical polymerization","New J. Chem.","2017","41","20","11568","11575","10.1039/C7NJ02394D","","","1.54184","CuKα","","0.0431","0.0386","","","0.1189","0.1245","","","","","","1.083","","","","has coordinates","301851","2025-08-21","20:32:56",""
"7056576","11.0068","0.0012","18.8343","0.0018","19.829","0.002","72.08","0.006","89.811","0.007","77.711","0.007","3813.1","0.7","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H21 N O4 -","- C22 H21 N O4 -","- C176 H168 N8 O32 -","8","4","","Wen, Sai-Shuai; Zhou, Zhao-Fang; Xiao, Jun-An; Li, Jun; Xiang, Haoyue; Yang, Hua","Facile oxidative cyclization to access C2-quaternary 2-hydroxy-indolin-3-ones: Synthetic studies towards matemone","New J. Chem.","2017","41","20","11503","11506","10.1039/C7NJ02246H","","","0.71073","MoKα","","0.1295","0.0534","","","0.1271","0.172","","","","","","0.994","","","","has coordinates","301442","2025-08-04","07:33:29",""
"7056577","9.727","0.004","10.001","0.004","11.403","0.004","113.392","0.01","96.236","0.01","113.408","0.008","886.4","0.6","298","2","298","2","","","","","","","","3","P -1","-P 1","2","","","","- C22 H19 N3 -","- C22 H19 N3 -","- C44 H38 N6 -","2","1","","Singh, Ajai kumar; Singh, Mahabir Pratap; Saleem, Fariha; Pal, Ram Sahay","Palladacycles having normal and spiro chelate rings designed from bi- and tridentate ligands with indole core: structure, synthesis and applications as catalysts","New J. Chem.","2017","41","19","11342","11352","10.1039/C7NJ02116J","","","0.71073","MoKα","","0.2039","0.0688","","","0.1075","0.1437","","","","","","0.885","","","","has coordinates","301851","2025-08-21","20:32:56",""
"7056578","8.1295","0.0019","15.338","0.004","18.901","0.004","90","","90","","90","","2356.8","1","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C13 H10 N2 S -","- C13 H10 N2 S -","- C104 H80 N16 S8 -","8","1","","Singh, Ajai kumar; Singh, Mahabir Pratap; Saleem, Fariha; Pal, Ram Sahay","Palladacycles having normal and spiro chelate rings designed from bi- and tridentate ligands with indole core: structure, synthesis and applications as catalysts","New J. Chem.","2017","41","19","11342","11352","10.1039/C7NJ02116J","","","0.71073","MoKα","","0.0636","0.0453","","","0.1175","0.1299","","","","","","0.95","","","","has coordinates","301851","2025-08-21","20:32:56",""
"7056579","14.7535","0.0016","13.5197","0.0015","15.5348","0.0017","90","","111.195","0.002","90","","2889","0.5","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C27 H20 Cl4 N4 Pd2 S2 -","- C27 H20 Cl4 N4 Pd2 S2 -","- C108 H80 Cl16 N16 Pd8 S8 -","4","0.5","","Singh, Ajai kumar; Singh, Mahabir Pratap; Saleem, Fariha; Pal, Ram Sahay","Palladacycles having normal and spiro chelate rings designed from bi- and tridentate ligands with indole core: structure, synthesis and applications as catalysts","New J. Chem.","2017","41","19","11342","11352","10.1039/C7NJ02116J","","","0.71073","MoKα","","0.0335","0.0297","","","0.0734","0.0753","","","","","","1.042","","","","has coordinates","301442","2025-08-04","07:33:30",""
"7056580","8.5285","0.0018","15.89","0.003","7.5691","0.0016","90","","114.881","0.003","90","","930.5","0.3","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H9 N O -","- C12 H9 N O -","- C48 H36 N4 O4 -","4","1","","Singh, Ajai kumar; Singh, Mahabir Pratap; Saleem, Fariha; Pal, Ram Sahay","Palladacycles having normal and spiro chelate rings designed from bi- and tridentate ligands with indole core: structure, synthesis and applications as catalysts","New J. Chem.","2017","41","19","11342","11352","10.1039/C7NJ02116J","","","0.71073","MoKα","","0.0468","0.0383","","","0.1049","0.1106","","","","","","1.078","","","","has coordinates","301851","2025-08-21","20:32:56",""
"7056581","10.45","0.006","12.734","0.008","18.174","0.011","90","","104.019","0.011","90","","2346","2","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H22 Cl N5 Pd -","- C26 H22 Cl N5 Pd -","- C104 H88 Cl4 N20 Pd4 -","4","1","","Singh, Ajai kumar; Singh, Mahabir Pratap; Saleem, Fariha; Pal, Ram Sahay","Palladacycles having normal and spiro chelate rings designed from bi- and tridentate ligands with indole core: structure, synthesis and applications as catalysts","New J. Chem.","2017","41","19","11342","11352","10.1039/C7NJ02116J","","","0.71073","MoKα","","0.1273","0.0873","","","0.1527","0.1687","","","","","","1.168","","","","has coordinates","301442","2025-08-04","07:33:30",""
"7056582","11.737","0.003","12.583","0.003","8.43","0.002","90","","104.108","0.006","90","","1207.4","0.5","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H12 N2 O -","- C15 H12 N2 O -","- C60 H48 N8 O4 -","4","1","","Singh, Ajai kumar; Singh, Mahabir Pratap; Saleem, Fariha; Pal, Ram Sahay","Palladacycles having normal and spiro chelate rings designed from bi- and tridentate ligands with indole core: structure, synthesis and applications as catalysts","New J. Chem.","2017","41","19","11342","11352","10.1039/C7NJ02116J","","","0.71073","MoKα","","0.0768","0.0469","","","0.1036","0.1142","","","","","","1.024","","","","has coordinates","301851","2025-08-21","20:32:56",""
"7056583","10.7502","0.0004","13.3823","0.0006","17.1566","0.0009","83.608","0.004","77.608","0.004","72.188","0.004","2292.36","0.19","130","2","130","2","","","","","","","","6","P -1","-P 1","2","","","","- C50 H28 Au2 F14 P2 S2 -","- C50 H28 Au2 F14 P2 S2 -","- C100 H56 Au4 F28 P4 S4 -","2","1","","Moreno-Alcántar, Luis Guillermo; Guevara-Vela, José Manuel; Delgadillo-Ruíz, Rafael; Rocha-Rinza, Tomás; Martín Pendás, Angel; Flores-Alamo, Marcos; Torrens, Hugo","Structural effects of trifluoromethylation and fluorination in gold(I) BIPHEP fluorothiolates","New J. Chem.","2017","41","19","10537","10541","10.1039/C7NJ02202F","","","0.71073","MoKα","","0.0632","0.0518","","","0.1229","0.1343","","","","","","1.08","","","","has coordinates","301442","2025-08-04","07:33:30",""
"7056584","10.9563","0.0005","13.2303","0.0006","16.1494","0.0007","93.295","0.004","101.336","0.004","110.274","0.004","2132.9","0.18","130","2","130","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H28 Au2 F10 P2 S2 -","- C48 H28 Au2 F10 P2 S2 -","- C96 H56 Au4 F20 P4 S4 -","2","1","","Moreno-Alcántar, Luis Guillermo; Guevara-Vela, José Manuel; Delgadillo-Ruíz, Rafael; Rocha-Rinza, Tomás; Martín Pendás, Angel; Flores-Alamo, Marcos; Torrens, Hugo","Structural effects of trifluoromethylation and fluorination in gold(I) BIPHEP fluorothiolates","New J. Chem.","2017","41","19","10537","10541","10.1039/C7NJ02202F","","","0.71073","MoKα","","0.0689","0.0571","","","0.1425","0.1566","","","","","","1.074","","","","has coordinates","301442","2025-08-04","07:33:31",""
"7056585","4.4715","0.0005","6.6057","0.0007","16.7243","0.0018","101.339","0.009","91.268","0.009","105.658","0.01","464.89","0.09","133","2","133","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H14 N4 O4 -","- C22 H14 N4 O4 -","- C22 H14 N4 O4 -","1","0.5","","Farfán, Norberto; Santillan, Rosa; Garcia Ortega, Héctor; Guerrero, Tomas; Morales-Saavedra, O. G.; Lacroix, Pascal Georges","Bis(4-nitroanilines) in interaction through a π-conjugated bridge: conformational effects and potential molecular switches","New J. Chem.","2017","41","20","11881","11890","10.1039/C7NJ02622F","","","0.71073","MoKα","","0.1356","0.0511","","","0.085","0.1009","","","","","","0.807","","","","has coordinates","301851","2025-08-21","20:32:56",""
"7056586","20.583","0.002","10.965","0.001","14.503","0.002","90","","103.007","0.009","90","","3189.2","0.6","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","1,3-bis[5-(4-(hexyloxy)phenyl)-1,3,4-oxadiazol-2-yl]benzene","","- C34 H37 N5 O6 -","- C34 H37 N5 O6 -","- C136 H148 N20 O24 -","4","0.5","","Gallardo, Hugo; Ferreira, Marli; Westphal, Eduard; Ballottin, Mariana Victoria; Bechtold, Ivan H.; Bortoluzzi, Adailton J.; Mezalira, Daniela Zambelli","Columnar bent-core liquid crystals with two oxadiazole units and two or four alkyl chains and their phase-dependent fluorescence","New J. Chem.","2017","41","20","11766","11777","10.1039/C7NJ00548B","","","0.71069","MoKα","","0.1125","0.0702","","","0.1984","0.2269","","","","","","1.066","","","","has coordinates","301851","2025-08-21","20:32:56",""
"7056587","11.494","0.007","21.318","0.003","14.593","0.005","90","","111.24","0.04","90","","3333","3","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C53 H84 Cl N17 Ni4 O15 -","- C52 H80 Cl N17 Ni4 O14 -","- C104 H160 Cl2 N34 Ni8 O28 -","2","1","","Chattopadhyay, Shouvik; Bhattacharyya, Anik; Das, Mithun; Bauza, Antonio; Herrero, Santiago; González-Prieto, Rodrigo; Frontera, Antonio","Both end-on and end-to-end azide bridged tetranuclear ferromagnetic nickel(II) Schiff base complex","New J. Chem.","2017","41","22","13585","13592","10.1039/C7NJ00852J","","","0.71073","MoKα","","0.057","0.045","","","0.1158","0.123","","","","","","1.068","","","","has coordinates","301442","2025-08-04","07:33:32",""
"7056588","11.5443","0.0003","11.6413","0.0003","15.0137","0.0004","74.386","0.002","69.643","0.002","74.148","0.002","1785.5","0.09","150","2","150","2","","","","","","","","7","P 1","P 1","1","","","","- C13 H19 Cl Cu N7 O2.5 S -","- C13 H19 Cl Cu N7 O2.5 S -","- C52 H76 Cl4 Cu4 N28 O10 S4 -","4","4","","Shen, Fang; Liu, Ya-Xian; Li, Shu-Min; Jiang, Chi-Kun; Wang, Bing-Feng; Xiong, Yahong; Mao, Zong-Wan; Le, Xue-Yi","Synthesis, crystal structures, molecular docking, in vitro cytotoxicity studies of two new copper(II) complexes: special emphasis on their binding to HSA","New J. Chem.","2017","41","21","12429","12441","10.1039/C7NJ02351K","","","1.54184","CuKα","","0.0359","0.0356","","","0.0998","0.1001","","","","","","1.041","","","","has coordinates","301442","2025-08-04","07:33:33",""
"7056589","11.462","0.0003","13.0187","0.0005","21.6957","0.0004","83.139","0.002","76.475","0.002","70.908","0.003","2971.27","0.16","150","2","150","2","","","","","","","","6","P 1","P 1","1","","","","- C17 H22 Cl Cu N7 O4 -","- C17 H22 Cl Cu N7 O4 -","- C102 H132 Cl6 Cu6 N42 O24 -","6","6","","Shen, Fang; Liu, Ya-Xian; Li, Shu-Min; Jiang, Chi-Kun; Wang, Bing-Feng; Xiong, Yahong; Mao, Zong-Wan; Le, Xue-Yi","Synthesis, crystal structures, molecular docking, in vitro cytotoxicity studies of two new copper(II) complexes: special emphasis on their binding to HSA","New J. Chem.","2017","41","21","12429","12441","10.1039/C7NJ02351K","","","0.71073","MoKα","","0.0322","0.0276","","","0.062","0.0644","","","","","","1.022","","","","has coordinates","301442","2025-08-04","07:33:33",""
"7056590","7.5607","0.0008","13.715","0.0015","8.9269","0.0009","90","","102.388","0.004","90","","904.12","0.17","299","2","299","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C4 H6 N10 O -","- C4 H6 N10 O -","- C16 H24 N40 O4 -","4","1","","Chen, Fu-Xue; Wang, Q.; Lu, Tian; Wang, Chenbin; Fan, Gui-Juan; Yin, Hongquan","Synthesis of 5,5'-azoxybistetrazole via nitration and de-oxygen rearrangement of triazene","New J. Chem.","2017","41","20","11512","11516","10.1039/C7NJ02724A","","","0.71073","MoKα","","0.0775","0.0553","","","0.1401","0.1562","","","","","","1.033","","","","has coordinates","301851","2025-08-21","20:32:56",""
"7056591","10.08","0.002","12.781","0.003","15.66","0.003","80.391","0.004","71.443","0.004","74.048","0.004","1832","0.7","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C42 H28 Ag9 N12 O40 P W12 -","- C42 H28 Ag9 N12 O40 P W12 -","- C42 H28 Ag9 N12 O40 P W12 -","1","0.5","","Cao, Yue; Lv, Jinghua; Yu, Kai; Wang, Chunmei; Su, Zhanhua; Wang, Lu; Zhou, Baibin","Synthesis and photo-/electro-catalytic properties of Keggin polyoxometalate inorganic-organic hybrid layers based on d10 metal and rigid benzo-diazole/-triazole ligands","New J. Chem.","2017","41","21","12459","12469","10.1039/C7NJ02615C","","","0.71073","MoKα","","0.0924","0.0743","","","0.1039","0.1229","","","","","","1.057","","","","has coordinates","301442","2025-08-04","07:33:33",""
"7056592","11.679","0.01","12.709","0.012","13.329","0.012","95.994","0.013","111.209","0.013","107.347","0.013","1710","3","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C36 H26 Cu7 Mo12 N18 O40 P -","- C36 H26 Cu7 Mo12 N18 O40 P -","- C36 H26 Cu7 Mo12 N18 O40 P -","1","0.5","","Cao, Yue; Lv, Jinghua; Yu, Kai; Wang, Chunmei; Su, Zhanhua; Wang, Lu; Zhou, Baibin","Synthesis and photo-/electro-catalytic properties of Keggin polyoxometalate inorganic-organic hybrid layers based on d10 metal and rigid benzo-diazole/-triazole ligands","New J. Chem.","2017","41","21","12459","12469","10.1039/C7NJ02615C","","","0.71073","MoKα","","0.0627","0.0583","","","0.1082","0.1165","","","","","","1.068","","","","has coordinates","301442","2025-08-04","07:33:33",""
"7056593","9.9145","0.0016","11.2727","0.0019","13.766","0.002","69.701","0.003","82.052","0.003","71.665","0.002","1369","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H28 Mo12 N8 O40 Si -","- C28 H28 Mo12 N8 O40 Si -","- C28 H28 Mo12 N8 O40 Si -","1","0.5","","Cao, Yue; Lv, Jinghua; Yu, Kai; Wang, Chunmei; Su, Zhanhua; Wang, Lu; Zhou, Baibin","Synthesis and photo-/electro-catalytic properties of Keggin polyoxometalate inorganic-organic hybrid layers based on d10 metal and rigid benzo-diazole/-triazole ligands","New J. Chem.","2017","41","21","12459","12469","10.1039/C7NJ02615C","","","0.71068","MoKα","","0.0858","0.0722","","","0.1226","0.1032","","","","","","1.09","","","","has coordinates","301442","2025-08-04","07:33:33",""
"7056594","11.6544","0.0008","12.8654","0.0009","13.5532","0.0009","95.994","0.001","111.033","0.001","106.86","0.002","1765.1","0.2","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C36 H26 Ag7 As N18 O40 W12 -","- C36 H26 Ag7 As N18 O40 W12 -","- C36 H26 Ag7 As N18 O40 W12 -","1","0.5","","Cao, Yue; Lv, Jinghua; Yu, Kai; Wang, Chunmei; Su, Zhanhua; Wang, Lu; Zhou, Baibin","Synthesis and photo-/electro-catalytic properties of Keggin polyoxometalate inorganic-organic hybrid layers based on d10 metal and rigid benzo-diazole/-triazole ligands","New J. Chem.","2017","41","21","12459","12469","10.1039/C7NJ02615C","","","0.71073","MoKα","","0.0803","0.0741","","","0.105","0.1174","","","","","","1.073","","","","has coordinates","301442","2025-08-04","07:33:34",""
"7056595","12.409","0.0008","14.8977","0.001","17.3674","0.0011","65.948","0.001","80.814","0.001","69.922","0.001","2753","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H27 Mo12 N8 O40 P -","- C28 H27 Mo12 N8 O40 P -","- C56 H54 Mo24 N16 O80 P2 -","2","1","","Cao, Yue; Lv, Jinghua; Yu, Kai; Wang, Chunmei; Su, Zhanhua; Wang, Lu; Zhou, Baibin","Synthesis and photo-/electro-catalytic properties of Keggin polyoxometalate inorganic-organic hybrid layers based on d10 metal and rigid benzo-diazole/-triazole ligands","New J. Chem.","2017","41","21","12459","12469","10.1039/C7NJ02615C","","","0.71073","MoKα","","0.0591","0.0338","","","0.1155","0.1368","","","","","","1.125","","","","has coordinates","301442","2025-08-04","07:33:34",""
"7056596","12.5644","0.0019","14.395","0.002","15.5","0.002","90","","90","","90","","2803.4","0.7","296","2","296.15","","","","","","","","","5","I 21 21 21","I 2b 2c","24","","","","- C30 H26 N4 O4 Zn -","- C30 H26 N4 O4 Zn -","- C120 H104 N16 O16 Zn4 -","4","0.5","","Zhang, Mei-Li; Wang, Ji-Jiang; Ma, Zhen-Zhen; Qiao, Lei","Color tunable entangled coordination polymers based on long flexible bis(imidazole) ligands and phenylenediacetate","New J. Chem.","2017","41","20","12139","12146","10.1039/C7NJ00645D","","","0.71073","MoKα","","0.0402","0.0368","","","0.0972","0.0999","","","","","","1.0147","","","","has coordinates","301442","2025-08-04","07:33:34",""
"7056597","17.5339","0.0013","16.7657","0.0012","12.7103","0.0009","90","","132.795","0.001","90","","2741.7","0.3","296","2","296.15","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C60 H50 Cd2 N8 O8 -","- C60 H50 Cd2 N8 O8 -","- C120 H100 Cd4 N16 O16 -","2","0.5","","Zhang, Mei-Li; Wang, Ji-Jiang; Ma, Zhen-Zhen; Qiao, Lei","Color tunable entangled coordination polymers based on long flexible bis(imidazole) ligands and phenylenediacetate","New J. Chem.","2017","41","20","12139","12146","10.1039/C7NJ00645D","","","0.71073","MoKα","","0.0188","0.018","","","0.0507","0.0515","","","","","","1.0334","","","","has coordinates","301442","2025-08-04","07:33:34",""
"7056598","12.3569","0.0007","16.5347","0.0009","17.0455","0.0009","100.883","0.001","103.834","0.001","109.436","0.001","3048.9","0.3","293","2","","","","","","","","","","5","P -1","-P 1","2","","","","- C66.5 H56 Co2 N8 O11 -","- C66.5 H56 Co2 N8 O11 -","- C133 H112 Co4 N16 O22 -","2","1","","Zhang, Mei-Li; Wang, Ji-Jiang; Ma, Zhen-Zhen; Qiao, Lei","Color tunable entangled coordination polymers based on long flexible bis(imidazole) ligands and phenylenediacetate","New J. Chem.","2017","41","20","12139","12146","10.1039/C7NJ00645D","","","0.71073","MoKα","","0.1046","0.0687","","","0.2064","0.2426","","","","","","1.036","","","","has coordinates","301442","2025-08-04","07:33:34",""
"7056599","10.2073","0.0014","10.5715","0.0015","15.142","0.002","109.687","0.002","99.922","0.002","92.742","0.002","1505.5","0.4","296","2","","","","","","","","","","6","P -1","-P 1","2","","","","- C30 H29 Cl N4 O5 Pd -","- C30 H29 Cl N4 O5 Pd -","- C60 H58 Cl2 N8 O10 Pd2 -","2","1","","Zhang, Mei-Li; Wang, Ji-Jiang; Ma, Zhen-Zhen; Qiao, Lei","Color tunable entangled coordination polymers based on long flexible bis(imidazole) ligands and phenylenediacetate","New J. Chem.","2017","41","20","12139","12146","10.1039/C7NJ00645D","","","0.71073","MoKα","","0.0466","0.04","","","0.1237","0.1323","","","","","","0.9561","","","","has coordinates","301442","2025-08-04","07:33:34",""
"7056600","12.325","0.003","6.5356","0.0015","17.769","0.003","90","","115.411","0.012","90","","1292.8","0.5","293","2","","","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C30 H26 Cd N4 O4 -","- C30 H26 Cd N4 O4 -","- C60 H52 Cd2 N8 O8 -","2","0.5","","Zhang, Mei-Li; Wang, Ji-Jiang; Ma, Zhen-Zhen; Qiao, Lei","Color tunable entangled coordination polymers based on long flexible bis(imidazole) ligands and phenylenediacetate","New J. Chem.","2017","41","20","12139","12146","10.1039/C7NJ00645D","","","0.71073","MoKα","","0.0413","0.0398","","","0.1104","0.1112","","","","","","1.0183","","","","has coordinates","301442","2025-08-04","07:33:34",""
"7056601","16.5928","0.0012","10.6712","0.0008","16.0573","0.0011","90","","110.762","0.001","90","","2658.6","0.3","296","2","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H27 Cd N4 O6 -","- C27 H27 Cd N4 O6 -","- C108 H108 Cd4 N16 O24 -","4","1","","Zhang, Mei-Li; Wang, Ji-Jiang; Ma, Zhen-Zhen; Qiao, Lei","Color tunable entangled coordination polymers based on long flexible bis(imidazole) ligands and phenylenediacetate","New J. Chem.","2017","41","20","12139","12146","10.1039/C7NJ00645D","","","0.71073","MoKα","","0.0413","0.0285","","","0.0649","0.0737","","","","","","1.027","","","","has coordinates","301442","2025-08-04","07:33:34",""
"7056602","8.201","0.006","9.946","0.007","21.325","0.015","81.89","0.03","84.71","0.02","87.42","0.02","1714","2","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C50 H56 Br0 Cl22 N4 O0 Ru2 -","- C50 H56 Cl22 N4 Ru2 -","- C50 H56 Cl22 N4 Ru2 -","1","0.5","","Ramaiah, Danaboyina; Viji, Mambattakkara; Tyagi, Nidhi; Naithani, Neeraj","Aryl Appended Neutral and Cationic Half-sandwich Ruthenium(II)-NHC Complexes: Synthesis, Characterisation and Catalytic Applications","New J. Chem.","2017","41","21","12736","12745","10.1039/C7NJ02822A","","","0.71073","MoKα","","0.1059","0.0785","","","0.2043","0.2212","","","","","","1.21","","","","has coordinates","301442","2025-08-04","07:33:34",""
"7056603","16.376","0.011","10.424","0.007","20.145","0.01","90","","127.64","0.04","90","","2723","3","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H50 Cl16 N4 Ru2 -","- C40 H50 Cl16 N4 Ru2 -","- C80 H100 Cl32 N8 Ru4 -","2","0.5","","Ramaiah, Danaboyina; Viji, Mambattakkara; Tyagi, Nidhi; Naithani, Neeraj","Aryl Appended Neutral and Cationic Half-sandwich Ruthenium(II)-NHC Complexes: Synthesis, Characterisation and Catalytic Applications","New J. Chem.","2017","41","21","12736","12745","10.1039/C7NJ02822A","","","0.71073","MoKα","","0.1477","0.1139","","","0.2066","0.2229","","","","","","1.226","","","","has coordinates","301442","2025-08-04","07:33:40",""
"7056604","29.1612","0.0011","12.5438","0.0005","16.5284","0.0006","90","","103.261","0.002","90","","5884.7","0.4","296","2","296","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C27 H31 Cl F6 N3 P Ru -","- C27 H31 Cl F6 N3 P Ru -","- C216 H248 Cl8 F48 N24 P8 Ru8 -","8","1","","Ramaiah, Danaboyina; Viji, Mambattakkara; Tyagi, Nidhi; Naithani, Neeraj","Aryl Appended Neutral and Cationic Half-sandwich Ruthenium(II)-NHC Complexes: Synthesis, Characterisation and Catalytic Applications","New J. Chem.","2017","41","21","12736","12745","10.1039/C7NJ02822A","","","0.71073","MoKα","","0.0729","0.0577","","","0.184","0.2022","","","","","","0.999","","","","has coordinates","301442","2025-08-04","07:33:42",""
"7056605","13.3979","0.0007","10.3168","0.0005","19.7429","0.0009","90","","101.468","0.002","90","","2674.5","0.2","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C25 H27 Cl F6 N3 P Ru -","- C25 H27 Cl F6 N3 P Ru -","- C100 H108 Cl4 F24 N12 P4 Ru4 -","4","1","","Ramaiah, Danaboyina; Viji, Mambattakkara; Tyagi, Nidhi; Naithani, Neeraj","Aryl Appended Neutral and Cationic Half-sandwich Ruthenium(II)-NHC Complexes: Synthesis, Characterisation and Catalytic Applications","New J. Chem.","2017","41","21","12736","12745","10.1039/C7NJ02822A","","","0.71073","MoKα","","0.0541","0.0352","","","0.0876","0.0965","","","","","","1.05","","","","has coordinates,has disorder","301442","2025-08-04","07:33:43",""
"7056606","9.36","0.0019","23.494","0.005","9.6076","0.0019","90","","97.83","0.03","90","","2093.1","0.8","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H19 Cu N5 O6 -","- C20 H19 Cu N5 O6 -","- C80 H76 Cu4 N20 O24 -","4","1","","Azary, Akbar; Bezaatpour, Abolfazl; Zahri, Saber; Amiri, Mandana","Synthesis, characterization, Crystal structure Electrochemical, Solvatochromic and Biological investigation of Novel N4 and N3 type Cu(II) Schiff base complexes","New J. Chem.","2017","41","21","12554","12561","10.1039/C7NJ02187A","","","0.71073","MoKα","","0.1485","0.0499","","","0.1005","0.1254","","","","","","0.778","","","","has coordinates","301851","2025-08-21","20:32:56",""
"7056607","7.1742","0.0014","11.35","0.002","12.47","0.003","76.8","0.03","75.49","0.03","83.62","0.03","955.5","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H18 Cl2 Cu N3 -","- C20 H18 Cl2 Cu N3 -","- C40 H36 Cl4 Cu2 N6 -","2","1","","Azary, Akbar; Bezaatpour, Abolfazl; Zahri, Saber; Amiri, Mandana","Synthesis, characterization, Crystal structure Electrochemical, Solvatochromic and Biological investigation of Novel N4 and N3 type Cu(II) Schiff base complexes","New J. Chem.","2017","41","21","12554","12561","10.1039/C7NJ02187A","","","0.71073","MoKα","","0.3636","0.0879","","","0.1337","0.2442","","","","","","0.587","","","","has coordinates","301442","2025-08-04","07:33:44",""
"7056608","10.267","0.004","25.086","0.009","16.403","0.006","90","","90","","90","","4225","3","150","2","150","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C44 H40 N4 O6 -","- C44 H40 N4 O6 -","- C176 H160 N16 O24 -","4","1","","Paul, Parimal; Bhatt, Madhuri; Maity, Debdeep; Hingu, vinayak; Suresh, Eringathodi; Ganguly, Bishwajit","Functionalized calix[4]arene as colorimetric dual sensor for Cu(II) and cysteine in aqueous media: Experimental and computational study","New J. Chem.","2017","41","21","12541","12553","10.1039/C7NJ02537H","","","0.71073","MoKα","","0.1536","0.1106","","","0.2278","0.2492","","","","","","1.075","","","","has coordinates","301851","2025-08-21","20:32:56",""
"7056609","9.974","0.002","10.59","0.002","13.315","0.003","111.62","0.03","96.36","0.03","106.73","0.03","1214.4","0.6","298","2","571","2","","","","","","","","4","P -1","-P 1","2","","","","- C29 H33 N3 O2 -","- C29 H33 N3 O2 -","- C58 H66 N6 O4 -","2","1","","Azadbakht, Reza; Hakimi, Mohammad; Khanabadi, Javad; Amiri Rudbari, Hadi","A new macrocyclic ligand as a turn-on fluorescent chemosensor for the recognition of Pb2+ ions","New J. Chem.","2017","41","20","12198","12204","10.1039/C7NJ02873C","","","0.71073","MoKα","","0.1193","0.0646","","","0.1657","0.1928","","","","","","0.843","","","","has coordinates","301851","2025-08-21","20:32:56",""
"7056610","33.17","0.007","3.969","0.0008","13.572","0.003","90","","90","","90","","1786.8","0.7","298","2","298","2","","","","","","","","3","P c c n","-P 2ab 2ac","56","","","","- C24 H18 O4 -","- C24 H18 O4 -","- C96 H72 O16 -","4","0.5","","Azadbakht, Reza; Hakimi, Mohammad; Khanabadi, Javad; Amiri Rudbari, Hadi","A new macrocyclic ligand as a turn-on fluorescent chemosensor for the recognition of Pb2+ ions","New J. Chem.","2017","41","20","12198","12204","10.1039/C7NJ02873C","","","0.71069","MoKα","","0.1","0.0504","","","0.113","0.1366","","","","","","1.065","","","","has coordinates","301851","2025-08-21","20:32:56",""
"7056611","6.1749","0.0007","6.3972","0.0007","9.0143","0.001","78.006","0.004","80.204","0.004","63.912","0.004","311.56","0.06","171","2","171","2","","","","","","","","5","P -1","-P 1","2","","","","- C6 H4 F2 N4 O12 -","- C6 H4 F2 N4 O12 -","- C6 H4 F2 N4 O12 -","1","0.5","","Ma, Jinchao; Yang, Hongwei; Cheng, Guangbin","Study on the synthesis of 2-fluoro-2,2-dinitroethyl esters as potential melt cast matrix in explosive charges","New J. Chem.","2017","41","21","12700","12706","10.1039/C7NJ02717F","","","0.71073","MoKα","","0.0568","0.036","","","0.0729","0.0784","","","","","","1.056","","","","has coordinates","301851","2025-08-21","20:32:56",""
"7056612","5.8921","0.0006","12.6006","0.0016","18.796","0.002","90","","90","","90","","1395.5","0.3","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C9 H4 F N5 O12 -","- C9 H4 F N5 O12 -","- C36 H16 F4 N20 O48 -","4","1","","Ma, Jinchao; Yang, Hongwei; Cheng, Guangbin","Study on the synthesis of 2-fluoro-2,2-dinitroethyl esters as potential melt cast matrix in explosive charges","New J. Chem.","2017","41","21","12700","12706","10.1039/C7NJ02717F","","","0.71073","MoKα","","0.1163","0.0514","","","0.074","0.0914","","","","","","1.017","","","","has coordinates","301851","2025-08-21","20:32:56",""
"7056613","6.0766","0.0004","9.436","0.0003","9.7318","0.0004","73.389","0.003","72.298","0.004","84.89","0.004","509.4","0.04","295","2","295","2","","","","","","","","5","P 1","P 1","1","","5-(N-benzyl)amino-5-deoxy-1,2-O-isopropylidene-3-O-methyl-a-D-xylo-furanosyl)-(R,S)-2,3,3,3-tetrafluoropropanamide","","- C19 H23 F4 N O5 -","- C19 H23 F4 N O5 -","- C19 H23 F4 N O5 -","1","1","","Bilska-Markowska, Monika; Siodła, Tomasz; Patyk, Ewa; Katrusiak, Andrzej; Koroniak, Henryk","The conformations of new CF3 and CF3-CHF containing amides derived from carbohydrates: NMR, crystallographic and DFT study","New J. Chem.","2017","41","21","12631","12644","10.1039/C7NJ02986A","","x-ray","1.54184","CuKα","","0.0838","0.0782","","","0.2411","0.2534","","","","","","1.106","","","","has coordinates","301851","2025-08-21","20:32:56",""
"7056614","14.4123","0.0005","5.7309","0.0002","16.0699","0.0005","90","","113.838","0.001","90","","1214.07","0.07","273","2","273","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H10 Cl N S -","- C14 H10 Cl N S -","- C56 H40 Cl4 N4 S4 -","4","2","","Ge, Xin; Sun, Fengli; Liu, Xuemin; Chen, Xinzhi; Qian, Chao; Zhou, Shaodong","Combined Experimental/theoretical Study on D-Glucosamine Promoted Regioselective Sulfenylation of Indoles Catalyzed by Copper","New J. Chem.","2017","41","21","13175","13180","10.1039/C7NJ02784B","","","0.71073","MoKα","","0.0244","0.0231","","","0.0733","0.0745","","","","","","1.002","","","","has coordinates","301851","2025-08-21","20:32:56",""
"7056615","7.2727","0.0002","7.4681","0.0001","7.4416","0.0002","90","","95.939","0.001","90","","402.008","0.016","160","2","160","2","","","","","","","","6","P 1 2/m 1","-P 2y","10","","","","- C12 H10.4 Fe N8 O1.2 Pt -","- C12 H8 Fe N8 O1.2 Pt -","- C12 H8 Fe N8 O1.2 Pt -","1","0.25","","Polyzou, Christina D.; Lalioti, Nikolia; Psycharis, Vassilis; Tangoulis, Vassilis","Guest Induced Hysteretic Tristability in 3D Pillared Hofmann-type Microporous Metal-Organic Framework","New J. Chem.","2017","41","21","12384","12387","10.1039/C7NJ02398G","","","1.54178","CuKα","","0.0464","0.0438","","","0.0925","0.0941","","","","","","1.041","","","","has coordinates","301442","2025-08-04","07:33:45",""
"7056616","7.28","0.0001","7.47","0.0001","7.4387","0.0001","90","","95.88","0.001","90","","402.4","0.009","160","2","160","2","","","","","","","","6","P 1 2/m 1","-P 2y","10","","","","- C12 H10.4 Fe N8 O1.2 Pd -","- C12 H8 Fe N8 O1.2 Pd -","- C12 H8 Fe N8 O1.2 Pd -","1","0.25","","Polyzou, Christina D.; Lalioti, Nikolia; Psycharis, Vassilis; Tangoulis, Vassilis","Guest Induced Hysteretic Tristability in 3D Pillared Hofmann-type Microporous Metal-Organic Framework","New J. Chem.","2017","41","21","12384","12387","10.1039/C7NJ02398G","","","1.54178","CuKα","","0.0446","0.0433","","","0.1055","0.1065","","","","","","1.097","","","","has coordinates","301442","2025-08-04","07:33:46",""
"7056620","12.5375","0.0012","14.0018","0.0012","15.3625","0.0015","90","","109.974","0.003","90","","2534.6","0.4","123","2","273","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","Cadmium Complex","","","- C24 H27 Cd Cl2 N5 O S -","- C24 H27 Cd Cl2 N5 O S -","- C96 H108 Cd4 Cl8 N20 O4 S4 -","4","1","","Raje, Sakthi; Mani, Kalaikodikumaran; MinnathParsutkar, Mahesh; Angamuthu, Raja","Metal ions as external stimuli in stereoselective self-sorting of koneramines and thiokoneramines","New J. Chem.","2017","41","20","12303","12308","10.1039/C7NJ01941F","","","0.71073","MoKα","","0.0775","0.0419","","","0.1031","0.1286","","","","","","0.834","","","","has coordinates","301442","2025-08-04","07:33:46",""
"7056621","36.547","0.007","10.4667","0.0019","13.743","0.002","90","","100.796","0.003","90","","5164","1.6","123","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H27 Cl2 N5 S Zn -","- C24 H27 Cl2 N5 S Zn -","- C192 H216 Cl16 N40 S8 Zn8 -","8","2","","Raje, Sakthi; Mani, Kalaikodikumaran; MinnathParsutkar, Mahesh; Angamuthu, Raja","Metal ions as external stimuli in stereoselective self-sorting of koneramines and thiokoneramines","New J. Chem.","2017","41","20","12303","12308","10.1039/C7NJ01941F","","","0.71073","MoKα","","0.0833","0.0557","","","0.113","0.1439","","","","","","1.107","","","","has coordinates,has disorder","301442","2025-08-04","07:33:47",""
"7056622","9.0819","0.0005","11.9997","0.0006","12.4935","0.0006","105.822","0.001","92.123","0.002","108.589","0.001","1230.09","0.11","123","2","123","2","","","","","","","","7","P -1","-P 1","2","","","","- C24 H27 Cl2 N5 O S Zn -","- C24 H27 Cl2 N5 O S Zn -","- C48 H54 Cl4 N10 O2 S2 Zn2 -","2","1","","Raje, Sakthi; Mani, Kalaikodikumaran; MinnathParsutkar, Mahesh; Angamuthu, Raja","Metal ions as external stimuli in stereoselective self-sorting of koneramines and thiokoneramines","New J. Chem.","2017","41","20","12303","12308","10.1039/C7NJ01941F","","","0.71073","MoKα","","0.0767","0.0442","","","0.0897","0.1001","","","","","","1.003","","","","has coordinates","301442","2025-08-04","07:33:47",""
"7056623","10.202","0.002","17.783","0.004","17.633","0.004","90","","102.04","0.03","90","","3128.6","1.2","123","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H30 Cd Cl4 N6 Ni -","- C28 H30 Cd Cl4 N6 Ni -","- C112 H120 Cd4 Cl16 N24 Ni4 -","4","1","","Raje, Sakthi; Mani, Kalaikodikumaran; MinnathParsutkar, Mahesh; Angamuthu, Raja","Metal ions as external stimuli in stereoselective self-sorting of koneramines and thiokoneramines","New J. Chem.","2017","41","20","12303","12308","10.1039/C7NJ01941F","","","0.71073","MoKα","","0.145","0.1113","","","0.3075","0.3225","","","","","","2.21","","","","has coordinates","301442","2025-08-04","07:33:47",""
"7056629","11.4204","0.0012","21.689","0.003","15.3958","0.0017","90","","97.293","0.003","90","","3782.6","0.8","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H20 Cd N2 O7 -","- C14 H20 Cd N2 O7 -","- C112 H160 Cd8 N16 O56 -","8","1","","do Nascimento Neto, José Antônio; da Silva, Cameron Capeletti; Ribeiro, Leandro; Vasconcelos, Géssica Adriana; Gontijo Vaz, Boniek; Ferreira, Vinicius Sousa; Queiroz Júnior, Luiz Keng; Maia, Lauro J. Q.; Sarotti, Ariel Marcelo; Martins, Felipe Terra","Probing the Competition between Acetate and 2,2’-Bipyridine Ligands to Bind to d-Block 12 Group Metals: Molecular and Structural Diversity towards High-Efficiency Luminescent Materials","New J. Chem.","2017","41","21","12843","12853","10.1039/C7NJ02393F","","","0.71073","MoKα","","0.089","0.0619","","","0.1704","0.1877","","","","","","1.042","","","","has coordinates","301851","2025-08-21","20:32:56",""
"7056630","8.9084","0.001","12.5072","0.0015","14.9281","0.0018","105.185","0.008","99.615","0.008","102.311","0.008","1523.8","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H32 Cd N5 O7 -","- C29 H32 Cd N5 O7 -","- C58 H64 Cd2 N10 O14 -","2","1","","do Nascimento Neto, José Antônio; da Silva, Cameron Capeletti; Ribeiro, Leandro; Vasconcelos, Géssica Adriana; Gontijo Vaz, Boniek; Ferreira, Vinicius Sousa; Queiroz Júnior, Luiz Keng; Maia, Lauro J. Q.; Sarotti, Ariel Marcelo; Martins, Felipe Terra","Probing the Competition between Acetate and 2,2’-Bipyridine Ligands to Bind to d-Block 12 Group Metals: Molecular and Structural Diversity towards High-Efficiency Luminescent Materials","New J. Chem.","2017","41","21","12843","12853","10.1039/C7NJ02393F","","","0.71073","MoKα","","0.0661","0.0443","","","0.0874","0.096","","","","","","1.026","","","","has coordinates","301442","2025-08-04","07:33:50",""
"7056631","23.6688","0.0015","13.4856","0.0009","24.0246","0.0015","90","","105.012","0.003","90","","7406.7","0.8","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H43 N6 O10.5 Zn -","- C34 H43 N6 O10.5 Zn -","- C272 H344 N48 O84 Zn8 -","8","2","","do Nascimento Neto, José Antônio; da Silva, Cameron Capeletti; Ribeiro, Leandro; Vasconcelos, Géssica Adriana; Gontijo Vaz, Boniek; Ferreira, Vinicius Sousa; Queiroz Júnior, Luiz Keng; Maia, Lauro J. Q.; Sarotti, Ariel Marcelo; Martins, Felipe Terra","Probing the Competition between Acetate and 2,2’-Bipyridine Ligands to Bind to d-Block 12 Group Metals: Molecular and Structural Diversity towards High-Efficiency Luminescent Materials","New J. Chem.","2017","41","21","12843","12853","10.1039/C7NJ02393F","","","0.71073","MoKα","","0.1634","0.0741","","","0.19","0.2383","","","","","","0.993","","","","has coordinates","301442","2025-08-04","07:33:50",""
"7056632","20.1431","0.0008","8.0764","0.0004","21.7544","0.0009","90","","97.401","0.002","90","","3509.6","0.3","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H20 N2 O7 Zn -","- C14 H20 N2 O7 Zn -","- C112 H160 N16 O56 Zn8 -","8","1","","do Nascimento Neto, José Antônio; da Silva, Cameron Capeletti; Ribeiro, Leandro; Vasconcelos, Géssica Adriana; Gontijo Vaz, Boniek; Ferreira, Vinicius Sousa; Queiroz Júnior, Luiz Keng; Maia, Lauro J. Q.; Sarotti, Ariel Marcelo; Martins, Felipe Terra","Probing the Competition between Acetate and 2,2’-Bipyridine Ligands to Bind to d-Block 12 Group Metals: Molecular and Structural Diversity towards High-Efficiency Luminescent Materials","New J. Chem.","2017","41","21","12843","12853","10.1039/C7NJ02393F","","","0.71073","MoKα","","0.0473","0.0363","","","0.0892","0.0963","","","","","","1.054","","","","has coordinates","301851","2025-08-21","20:32:56",""
"7056633","10.255","0.002","12.619","0.002","13.064","0.002","90","","108.023","0.004","90","","1607.6","0.5","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H16 Hg N2 O5 -","- C14 H16 Hg N2 O5 -","- C56 H64 Hg4 N8 O20 -","4","1","","do Nascimento Neto, José Antônio; da Silva, Cameron Capeletti; Ribeiro, Leandro; Vasconcelos, Géssica Adriana; Gontijo Vaz, Boniek; Ferreira, Vinicius Sousa; Queiroz Júnior, Luiz Keng; Maia, Lauro J. Q.; Sarotti, Ariel Marcelo; Martins, Felipe Terra","Probing the Competition between Acetate and 2,2’-Bipyridine Ligands to Bind to d-Block 12 Group Metals: Molecular and Structural Diversity towards High-Efficiency Luminescent Materials","New J. Chem.","2017","41","21","12843","12853","10.1039/C7NJ02393F","","","0.71073","MoKα","","0.0839","0.0411","","","0.0778","0.0917","","","","","","0.948","","","","has coordinates","301442","2025-08-04","07:33:50",""
"7056634","9.316","0.013","13.037","0.018","13.162","0.016","61.74","0.03","81.33","0.04","85.11","0.04","1392","3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H46 N8 O9 Zn2 -","- C48 H46 N8 O9 Zn2 -","- C48 H46 N8 O9 Zn2 -","1","0.5","","do Nascimento Neto, José Antônio; da Silva, Cameron Capeletti; Ribeiro, Leandro; Vasconcelos, Géssica Adriana; Gontijo Vaz, Boniek; Ferreira, Vinicius Sousa; Queiroz Júnior, Luiz Keng; Maia, Lauro J. Q.; Sarotti, Ariel Marcelo; Martins, Felipe Terra","Probing the Competition between Acetate and 2,2’-Bipyridine Ligands to Bind to d-Block 12 Group Metals: Molecular and Structural Diversity towards High-Efficiency Luminescent Materials","New J. Chem.","2017","41","21","12843","12853","10.1039/C7NJ02393F","","","0.71073","MoKα","","0.1161","0.097","","","0.2795","0.298","","","","","","1.15","","","","has coordinates,has disorder","301442","2025-08-04","07:33:50",""
"7056635","12.38","0.002","19.659","0.003","15.164","0.002","90","","108.148","0.009","90","","3507","0.9","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H42 Hg N5 O12 -","- C29 H42 Hg N5 O12 -","- C116 H168 Hg4 N20 O48 -","4","1","","do Nascimento Neto, José Antônio; da Silva, Cameron Capeletti; Ribeiro, Leandro; Vasconcelos, Géssica Adriana; Gontijo Vaz, Boniek; Ferreira, Vinicius Sousa; Queiroz Júnior, Luiz Keng; Maia, Lauro J. Q.; Sarotti, Ariel Marcelo; Martins, Felipe Terra","Probing the Competition between Acetate and 2,2’-Bipyridine Ligands to Bind to d-Block 12 Group Metals: Molecular and Structural Diversity towards High-Efficiency Luminescent Materials","New J. Chem.","2017","41","21","12843","12853","10.1039/C7NJ02393F","","","0.71073","MoKα","","0.0702","0.0382","","","0.0839","0.0958","","","","","","0.984","","","","has coordinates","301442","2025-08-04","07:33:50",""
"7056636","8.0907","0.0003","9.8783","0.0005","12.7432","0.0006","106.076","0.002","98.523","0.002","108.795","0.002","894.34","0.07","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H34 N4 O12 Zn3 -","- C32 H34 N4 O12 Zn3 -","- C32 H34 N4 O12 Zn3 -","1","0.5","","do Nascimento Neto, José Antônio; da Silva, Cameron Capeletti; Ribeiro, Leandro; Vasconcelos, Géssica Adriana; Gontijo Vaz, Boniek; Ferreira, Vinicius Sousa; Queiroz Júnior, Luiz Keng; Maia, Lauro J. Q.; Sarotti, Ariel Marcelo; Martins, Felipe Terra","Probing the Competition between Acetate and 2,2’-Bipyridine Ligands to Bind to d-Block 12 Group Metals: Molecular and Structural Diversity towards High-Efficiency Luminescent Materials","New J. Chem.","2017","41","21","12843","12853","10.1039/C7NJ02393F","","","0.71073","MoKα","","0.0279","0.0245","","","0.0659","0.068","","","","","","1.045","","","","has coordinates","301851","2025-08-21","20:32:56",""
"7056637","4.2229","0.0006","13.994","0.002","42.276","0.006","90","","90","","90","","2498.3","0.6","298","2","298","2","","","","","","","","5","P b c m","-P 2c 2b","57","","","","- C16 H16 Ba Cl6 O10 -","- C16 H16 Ba Cl6 O10 -","- C64 H64 Ba4 Cl24 O40 -","4","0.5","","Xu, Xiu ling; Hu, Fan; Shuai, Qi","A facile synthesis, crystal structure and bioactivity evaluation of two novel barium complexes based on 2,4,6-trichlorophenoxyacetic acid and o-ferrocenylcarbonyl benzoic acid","New J. Chem.","2017","41","22","13319","13326","10.1039/C7NJ03046K","","","0.71073","MoKα","","0.0652","0.0589","","","0.1655","0.1764","","","","","","1.178","","","","has coordinates","301442","2025-08-04","07:33:50",""
"7056638","9.3623","0.0006","11.8133","0.0015","20.503","0.002","77.734","0.001","89.018","0.002","89.116","0.002","2215.4","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H54 Ba Fe2 O20 -","- C36 H54 Ba Fe2 O20 -","- C72 H108 Ba2 Fe4 O40 -","2","1","","Xu, Xiu ling; Hu, Fan; Shuai, Qi","A facile synthesis, crystal structure and bioactivity evaluation of two novel barium complexes based on 2,4,6-trichlorophenoxyacetic acid and o-ferrocenylcarbonyl benzoic acid","New J. Chem.","2017","41","22","13319","13326","10.1039/C7NJ03046K","","","0.71073","MoKα","","0.1658","0.0993","","","0.2312","0.2936","","","","","","1.06","","","","has coordinates","301442","2025-08-04","07:33:50",""
"7056639","7.5576","0.0003","15.4438","0.0008","9.6007","0.0005","90","","91.438","0.005","90","","1120.22","0.09","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H18 Cu2 N14 S2 -","- C16 H18 Cu2 N14 S2 -","- C32 H36 Cu4 N28 S4 -","2","0.5","","Biswas, Niladri; KHANRA, SUMIT; Sarkar, Arnab; Mandal, Deba Prasad; Bhattacharjee, Shamee; Chaudhuri, Ankur; Chakraborty, Sibani; Roy Choudhury, Chirantan","One new azido bridged dinuclear copper(II) thiosemicarbazide complex: Synthesis, DNA/protein binding, molecular docking study and cytotoxicity activity","New J. Chem.","2017","41","21","12996","13011","10.1039/C7NJ01998J","","","0.71073","MoKα","","0.0463","0.0362","","","0.0787","0.0838","","","","","","1.073","","","","has coordinates","301442","2025-08-04","07:33:50",""
"7056640","13.6857","0.0012","19.1641","0.0016","20.631","0.0018","90","","105.861","0.002","90","","5205","0.8","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C46 H54 Ag2 F12 N10 O2 P2 -","- C46 H54 Ag2 F12 N10 O2 P2 -","- C184 H216 Ag8 F48 N40 O8 P8 -","4","1","","Fei, Fan; Lu, Taotao; Chen, Xue-tai; Xue, Ziling Ben","Synthesis and structural characterization of metal complexes with macrocyclic tetracarbene ligands","New J. Chem.","2017","41","22","13442","13453","10.1039/C7NJ02485A","","","0.71073","MoKα","","0.077","0.0529","","","0.1499","0.1711","","","","","","1.068","","","","has coordinates","301442","2025-08-04","07:33:50",""
"7056641","12.736","0.005","30.092","0.012","16.19","0.007","90","","98.396","0.005","90","","6138","4","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C48 H62 Ag3 F18 N10 O4 P3 -","- C48 H62 Ag3 F18 N10 O4 P3 -","- C192 H248 Ag12 F72 N40 O16 P12 -","4","1","","Fei, Fan; Lu, Taotao; Chen, Xue-tai; Xue, Ziling Ben","Synthesis and structural characterization of metal complexes with macrocyclic tetracarbene ligands","New J. Chem.","2017","41","22","13442","13453","10.1039/C7NJ02485A","","","0.71073","MoKα","","0.17","0.0933","","","0.24","0.2904","","","","","","1.018","","","","has coordinates","301442","2025-08-04","07:33:50",""
"7056642","13.072","0.003","14.373","0.003","15.647","0.004","71.028","0.004","71.887","0.004","65.687","0.004","2479.5","1","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H44 F12 N8 Ni P2 -","- C42 H44 F12 N8 Ni P2 -","- C84 H88 F24 N16 Ni2 P4 -","2","1","","Fei, Fan; Lu, Taotao; Chen, Xue-tai; Xue, Ziling Ben","Synthesis and structural characterization of metal complexes with macrocyclic tetracarbene ligands","New J. Chem.","2017","41","22","13442","13453","10.1039/C7NJ02485A","","","0.71073","MoKα","","0.1764","0.1085","","","0.2179","0.2437","","","","","","1.094","","","","has coordinates,has disorder","301442","2025-08-04","07:33:50",""
"7056643","12.925","0.004","13.073","0.004","16.324","0.006","75.27","0.007","69.306","0.007","66.767","0.006","2349.8","1.3","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H40 F12 N8 P2 Pd -","- C40 H40 F11.994 N8 P1.999 Pd -","- C80 H80 F23.988 N16 P3.998 Pd2 -","2","1","","Fei, Fan; Lu, Taotao; Chen, Xue-tai; Xue, Ziling Ben","Synthesis and structural characterization of metal complexes with macrocyclic tetracarbene ligands","New J. Chem.","2017","41","22","13442","13453","10.1039/C7NJ02485A","","","0.71073","MoKα","","0.0969","0.0613","","","0.1422","0.1579","","","","","","1.055","","","","has coordinates,has disorder","301442","2025-08-04","07:33:50",""
"7056644","12.74","0.002","14.279","0.003","16.577","0.003","78.433","0.004","71.473","0.004","64.699","0.004","2577.7","0.8","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C2.75 H3 F0.75 N0.5 P0.12 Pt0.06 -","- C2.75 H3 F0.75 N0.5 P0.125 Pt0.0625 -","- C88 H96 F24 N16 P4 Pt2 -","32","16","","Fei, Fan; Lu, Taotao; Chen, Xue-tai; Xue, Ziling Ben","Synthesis and structural characterization of metal complexes with macrocyclic tetracarbene ligands","New J. Chem.","2017","41","22","13442","13453","10.1039/C7NJ02485A","","","0.71073","MoKα","","0.101","0.0617","","","0.161","0.1718","","","","","","1.077","","","","has coordinates,has disorder","301442","2025-08-04","07:33:50",""
"7056645","11.4236","0.0019","13.822","0.002","15.218","0.002","90.046","0.004","96.534","0.004","102.324","0.004","2331.5","0.6","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H44 F12 N8 P2 Pd -","- C42 H44 F12 N8 P2 Pd -","- C84 H88 F24 N16 P4 Pd2 -","2","1","","Fei, Fan; Lu, Taotao; Chen, Xue-tai; Xue, Ziling Ben","Synthesis and structural characterization of metal complexes with macrocyclic tetracarbene ligands","New J. Chem.","2017","41","22","13442","13453","10.1039/C7NJ02485A","","","0.71073","MoKα","","0.2014","0.1164","","","0.2096","0.2419","","","","","","1.057","","","","has coordinates","301442","2025-08-04","07:33:50",""
"7056646","12.866","0.002","12.956","0.002","16.28","0.003","75.394","0.004","69.092","0.002","67.037","0.002","2314","0.7","190","2","190","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H40 F12 N8 P2 Pt -","- C40 H40 F12 N8 P2 Pt -","- C80 H80 F24 N16 P4 Pt2 -","2","1","","Fei, Fan; Lu, Taotao; Chen, Xue-tai; Xue, Ziling Ben","Synthesis and structural characterization of metal complexes with macrocyclic tetracarbene ligands","New J. Chem.","2017","41","22","13442","13453","10.1039/C7NJ02485A","","","0.71073","MoKα","","0.0893","0.0631","","","0.1476","0.1567","","","","","","1.04","","","","has coordinates","301442","2025-08-04","07:33:50",""
"7056647","16.245","0.003","14.013","0.003","20.618","0.004","90","","93.493","0.004","90","","4684.8","1.6","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C40 H40 F12 N8 Ni P2 -","- C40 H40 F12 N8 Ni P2 -","- C160 H160 F48 N32 Ni4 P8 -","4","1","","Fei, Fan; Lu, Taotao; Chen, Xue-tai; Xue, Ziling Ben","Synthesis and structural characterization of metal complexes with macrocyclic tetracarbene ligands","New J. Chem.","2017","41","22","13442","13453","10.1039/C7NJ02485A","","","0.71073","MoKα","","0.1457","0.0628","","","0.1101","0.1332","","","","","","1.04","","","","has coordinates,has disorder","301442","2025-08-04","07:33:50",""
"7056648","12.775","0.0011","14.4409","0.0013","16.4321","0.0014","78.288","0.003","71.501","0.003","63.775","0.001","2571.8","0.4","190","2","190","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H48 F12 N8 Ni P2 -","- C44 H48 F12 N8 Ni P2 -","- C88 H96 F24 N16 Ni2 P4 -","2","1","","Fei, Fan; Lu, Taotao; Chen, Xue-tai; Xue, Ziling Ben","Synthesis and structural characterization of metal complexes with macrocyclic tetracarbene ligands","New J. Chem.","2017","41","22","13442","13453","10.1039/C7NJ02485A","","","0.71073","MoKα","","0.1678","0.0829","","","0.2113","0.259","","","","","","1.038","","","","has coordinates,has disorder","301442","2025-08-04","07:33:50",""
"7056649","13.4115","0.0008","14.8836","0.0008","15.868","0.0008","92.478","0.002","112.811","0.002","116.642","0.001","2517.5","0.2","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H44 F12 N8 P2 Pt -","- C42 H44 F12 N8 P2 Pt -","- C84 H88 F24 N16 P4 Pt2 -","2","1","","Fei, Fan; Lu, Taotao; Chen, Xue-tai; Xue, Ziling Ben","Synthesis and structural characterization of metal complexes with macrocyclic tetracarbene ligands","New J. Chem.","2017","41","22","13442","13453","10.1039/C7NJ02485A","","","0.71073","MoKα","","0.0666","0.048","","","0.094","0.0995","","","","","","1.036","","","","has coordinates,has disorder","301442","2025-08-04","07:33:50",""
"7056650","31.573","0.002","43.5","0.003","45.318","0.003","90","","90","","90","","62241","7","120","2","120","2","","","","","","","","6","F d d d","-F 2uv 2vw","70","","","","- C264 H288 Ag12 F72 N48 P12 -","- C264 H288 Ag12 F72 N48 P12 -","- C2112 H2304 Ag96 F576 N384 P96 -","8","","","Fei, Fan; Lu, Taotao; Chen, Xue-tai; Xue, Ziling Ben","Synthesis and structural characterization of metal complexes with macrocyclic tetracarbene ligands","New J. Chem.","2017","41","22","13442","13453","10.1039/C7NJ02485A","","","0.71073","MoKα","","0.1189","0.0973","","","0.2627","0.2792","","","","","","0.991","","","","has coordinates,has disorder","301442","2025-08-04","07:33:50",""
"7056651","20.0846","0.0007","20.0846","0.0007","38.506","0.002","90","","90","","90","","15533","1.1","153","2","153","2","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C44 H48 F12 N8 P2 Pd -","- C44 H48 F12 N8 P2 Pd -","- C528 H576 F144 N96 P24 Pd12 -","12","1.5","","Fei, Fan; Lu, Taotao; Chen, Xue-tai; Xue, Ziling Ben","Synthesis and structural characterization of metal complexes with macrocyclic tetracarbene ligands","New J. Chem.","2017","41","22","13442","13453","10.1039/C7NJ02485A","","","0.71073","MoKα","","0.0802","0.0663","","","0.1685","0.1758","","","","","","1.097","","","","has coordinates,has disorder","301442","2025-08-04","07:33:50",""
"7056653","13.0587","0.0007","11.2253","0.0006","17.2297","0.0008","90","","120.987","0.003","90","","2165.2","0.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H25 N2 O16 Tb -","- C15 H25 N2 O16 Tb -","- C60 H100 N8 O64 Tb4 -","4","1","","Feyisa Bogale, Raji; Chen, Yanzhen; Ye, Junwei; Zhang, Siqi; Li, Yiwen; Liu, Xigang; Zheng, Ting; Rauf, Abdul; Ning, Guiling","A terbium(iii)-based coordination polymer for selective and sensitive sensing of nitroaromatics and ferric ion: synthesis, crystal structure and photoluminescence properties","New J. Chem.","2017","41","21","12713","12720","10.1039/C7NJ02492D","","","0.71073","MoKα","","0.0336","0.0255","","","0.0631","0.069","","","","","","1.039","","","","has coordinates","301442","2025-08-04","07:33:50",""
"7056654","28.3225","0.0015","9.7812","0.0005","18.605","0.0009","90","","110.718","0.002","90","","4820.8","0.4","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C54 H44 Cu2 N2 P4 S2 -","- C54 H44 Cu2 N2 P4 S2 -","- C216 H176 Cu8 N8 P16 S8 -","4","0.5","","Trivedi, Manoj; Smreker, Jacob Robert; Singh, Gurmeet; Kumar, Abhinav; Rath, Nigam P.","cis-1,2-bis(diphenylphosphino)ethylene copper(I) catalyzed C-H activation and carboxylation of terminal alkynes","New J. Chem.","2017","41","23","14145","14151","10.1039/C7NJ03038J","","","0.71073","MoKα","","0.0803","0.042","","","0.0817","0.096","","","","","","1.023","","","","has coordinates","301442","2025-08-04","07:33:51",""
"7056655","20.0996","0.0003","11.2677","0.0002","20.9221","0.0004","90","","96.228","0.002","90","","4710.39","0.14","295","2","295","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C58 H45 Cl N2 P2 Pt2 -","- C58 H45 Cl N2 P2 Pt2 -","- C232 H180 Cl4 N8 P8 Pt8 -","4","1","","Samandar Sangari, Mozhgan; Golbon Haghighi, Mohsen; Nabavizadeh, S. Masoud; Kubicki, Maciej; Rashidi, Mehdi","Photophysical Study on Unsymmetrical Binuclear Cycloplatinated(II) Complexes","New J. Chem.","2017","41","22","13293","13302","10.1039/C7NJ03034G","","","0.7107","MoKα","","0.0488","0.0322","","","0.053","0.0568","","","","","","0.96","","","","has coordinates","301442","2025-08-04","07:33:52",""
"7056656","33.725","0.0002","11.0882","0.0001","26.5368","0.0002","90","","92.967","0.001","90","","9910.12","0.13","130","1","130","1","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C117 H90 Cl2 F6 N4 O4 P4 Pt4 -","- C117 H90 Cl2 F6 N4 O4 P4 Pt4 -","- C468 H360 Cl8 F24 N16 O16 P16 Pt16 -","4","0.5","","Samandar Sangari, Mozhgan; Golbon Haghighi, Mohsen; Nabavizadeh, S. Masoud; Kubicki, Maciej; Rashidi, Mehdi","Photophysical Study on Unsymmetrical Binuclear Cycloplatinated(II) Complexes","New J. Chem.","2017","41","22","13293","13302","10.1039/C7NJ03034G","","","1.5418","CuKα","","0.0377","0.0377","","","0.1361","0.1361","","","","","","1.27","","","","has coordinates,has disorder","301442","2025-08-04","07:33:53",""
"7056657","10.9965","0.0006","11.8076","0.0008","13.2007","0.0007","90","","92.894","0.005","90","","1711.82","0.17","295.2","0.3","295.2","0.3","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","1","","- C24 H16 O2 -","- C24 H16 O2 -","- C96 H64 O8 -","4","1","","Kong, Qunshou; Zhuang, Weihua; Li, Gaocan; Xu, Yangyang; Jiang, Qing; Wang, Yunbing","High contrast stimuli-responsive luminescence switching of pyrene-1-carboxylic esters triggered by a crystal-to-crystal transition","New J. Chem.","2017","41","22","13784","13791","10.1039/C7NJ03014B","","x-ray","1.54184","CuKα","","0.0673","0.0556","","","0.1581","0.173","","","","","","1.028","","","","has coordinates","301851","2025-08-21","20:32:56",""
"7056658","5.4969","0.0003","10.735","0.0007","22.1474","0.0012","90","","90","","90","","1306.9","0.13","293","2","293.15","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","lgc-127","","- C18 H12 O2 -","- C18 H12 O2 -","- C72 H48 O8 -","4","1","","Kong, Qunshou; Zhuang, Weihua; Li, Gaocan; Xu, Yangyang; Jiang, Qing; Wang, Yunbing","High contrast stimuli-responsive luminescence switching of pyrene-1-carboxylic esters triggered by a crystal-to-crystal transition","New J. Chem.","2017","41","22","13784","13791","10.1039/C7NJ03014B","","x-ray","0.71073","MoKα","","0.0651","0.045","","","0.0885","0.1018","","","","","","1.084","","","","has coordinates","301851","2025-08-21","20:32:56",""
"7056659","9.6985","0.0007","11.4602","0.0009","14.9575","0.0012","80.519","0.004","73.258","0.004","76.892","0.004","1541.7","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","rotaxane","","","- C31 H33 Cl N5 O4 -","- C31 H33 Cl N5 O4 -","- C62 H66 Cl2 N10 O8 -","2","1","","Martins, Marcos A. P.; Zimmer, Geórgia Cristiane; Rodrigues, Leticia V.; Orlando, Tainára; Buriol, Lilian; Alajarin, Mateo; Berna, Jose; Frizzo, Clarissa Piccinin; Bonacorso, Helio Gauze; Zanatta, Nilo","Competition Between the Donor and Acceptor Hydrogen Bonds of the Threads in the Formation of [2]Rotaxane by Clipping Reaction","New J. Chem.","2017","41","22","13303","13318","10.1039/C7NJ02443F","","","0.71073","MoKα","","0.0676","0.0506","","","0.1417","0.1495","","","","","","1.082","","","","has coordinates","301442","2025-08-04","07:33:54",""
"7056660","6.9687","0.0003","12.1818","0.0006","16.6042","0.0009","90","","99.584","0.002","90","","1389.88","0.12","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","thread 1,3-pyrazole","'1,2-bis(aminocarbonyl-(5'-phenyl)-(1'-tert-butyl)-1H-pyrazole-3'-il)-ethane'","","- C30 H36 N6 O2 -","- C30 H36 N6 O2 -","- C60 H72 N12 O4 -","2","0.5","","Martins, Marcos A. P.; Zimmer, Geórgia Cristiane; Rodrigues, Leticia V.; Orlando, Tainára; Buriol, Lilian; Alajarin, Mateo; Berna, Jose; Frizzo, Clarissa Piccinin; Bonacorso, Helio Gauze; Zanatta, Nilo","Competition Between the Donor and Acceptor Hydrogen Bonds of the Threads in the Formation of [2]Rotaxane by Clipping Reaction","New J. Chem.","2017","41","22","13303","13318","10.1039/C7NJ02443F","","","0.71073","MoKα","","0.066","0.0506","","","0.1384","0.1538","","","","","","1.057","","","","has coordinates","301851","2025-08-21","20:32:56",""
"7056661","26.6417","0.0008","11.3041","0.0003","9.7939","0.0002","90","","91.318","0.002","90","","2948.75","0.13","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","1,5-thread-p-Ph-Cl","'1,2-bis(aminocarbonyl-(3'-(4""-chlorophenyl)-1'- (1',1'-tert-butyl)-1H-pyrazole-5'-il))-ethane'","","- C15 H17 Cl N3 O -","- C15 H17 Cl N3 O -","- C120 H136 Cl8 N24 O8 -","8","1","","Martins, Marcos A. P.; Zimmer, Geórgia Cristiane; Rodrigues, Leticia V.; Orlando, Tainára; Buriol, Lilian; Alajarin, Mateo; Berna, Jose; Frizzo, Clarissa Piccinin; Bonacorso, Helio Gauze; Zanatta, Nilo","Competition Between the Donor and Acceptor Hydrogen Bonds of the Threads in the Formation of [2]Rotaxane by Clipping Reaction","New J. Chem.","2017","41","22","13303","13318","10.1039/C7NJ02443F","","","0.71073","MoKα","","0.0485","0.0387","","","0.1041","0.1112","","","","","","1.052","","","","has coordinates","301851","2025-08-21","20:32:56",""
"7056662","13.0096","0.001","18.5432","0.0014","12.0412","0.0009","90","","100.744","0.003","90","","2853.9","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","thread-1,5-fenil","'1,2-bis(aminocarbonyl-(3'-phenyl)-(1'(tert-butyl)-1H-pyrazole-5'-il)ethane'","","- C30 H36 N6 O2 -","- C30 H36 N6 O2 -","- C120 H144 N24 O8 -","4","1","","Martins, Marcos A. P.; Zimmer, Geórgia Cristiane; Rodrigues, Leticia V.; Orlando, Tainára; Buriol, Lilian; Alajarin, Mateo; Berna, Jose; Frizzo, Clarissa Piccinin; Bonacorso, Helio Gauze; Zanatta, Nilo","Competition Between the Donor and Acceptor Hydrogen Bonds of the Threads in the Formation of [2]Rotaxane by Clipping Reaction","New J. Chem.","2017","41","22","13303","13318","10.1039/C7NJ02443F","","","1.54178","CuKα","","0.1086","0.0996","","","0.3381","0.3454","","","","","","1.176","","","","has coordinates","301851","2025-08-21","20:32:56",""
"7056663","6.6195","0.0013","8.2505","0.0019","12.924","0.005","96.15","0.03","99.794","0.018","97.771","0.014","683","0.3","296","2","296","2","","","","","","","N-cyanoguanidine","5","P -1","-P 1","2","2-carbamoylguanidinium p-toluensulfonate","N-carbamoylguanidinium p-toluensulfonate","","- C9 H14 N4 O4 S -","- C9 H14 N4 O4 S -","- C18 H28 N8 O8 S2 -","2","1","","Fernández-Stefanuto, V.; Verdía, P.; Tojo, E.","A new procedure to obtain ε-caprolactam catalyzed by a guanidinium salt","New J. Chem.","2017","41","21","12830","12834","10.1039/C7NJ03443A","","","1.54178","CuKα","","0.068","0.0573","","","0.1658","0.1763","","","","","","1.069","","","","has coordinates","301851","2025-08-21","20:32:56",""
"7056664","5.7367","0.0006","7.4012","0.0008","21.041","0.002","90","","91.012","0.002","90","","893.23","0.16","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H34 I N -","- C15 H34 I N -","- C30 H68 I2 N2 -","2","1","","Roitershtein, Dmitrii M.; Puntus, Lada N.; Lyssenko, Konstantin A.; Taidakov, Ilya V.; Varaksina, Evgenia; Minyaev, Mikhail M.; Gerasin, Viktor Anatol'evich; Guseva, Maria A.; Vinogradov, Alexey V.; Savchenko, Maria S.; Nifant'ev, Ilya E.","An efficient route for design of luminescent composite materials based on polyethylene containing europium dibenzoylmethanate","New J. Chem.","2017","41","22","13663","13672","10.1039/C7NJ03055J","","","0.71073","MoKα","","0.0344","0.0276","","","0.0587","0.0622","","","","","","1.04","","","","has coordinates,has disorder","301851","2025-08-21","20:32:56",""
"7056665","25.835","0.002","8.3357","0.0008","25.37","0.002","90","","90.106","0.0019","90","","5463.5","0.8","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C64 H56 Eu Na O10 -","- C64 H56 Eu Na O10 -","- C256 H224 Eu4 Na4 O40 -","4","1","","Roitershtein, Dmitrii M.; Puntus, Lada N.; Lyssenko, Konstantin A.; Taidakov, Ilya V.; Varaksina, Evgenia; Minyaev, Mikhail M.; Gerasin, Viktor Anatol'evich; Guseva, Maria A.; Vinogradov, Alexey V.; Savchenko, Maria S.; Nifant'ev, Ilya E.","An efficient route for design of luminescent composite materials based on polyethylene containing europium dibenzoylmethanate","New J. Chem.","2017","41","22","13663","13672","10.1039/C7NJ03055J","","","0.71073","MoKα","","0.0502","0.0381","","","0.0773","0.0824","","","","","","0.977","","","","has coordinates,has disorder","301851","2025-08-21","20:32:56",""
"7056666","13.9894","0.0006","17.6752","0.0007","19.1128","0.0008","90","","90","","90","","4725.9","0.3","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C54 H61 B Ir N2 O3 P -","- C54 H61 B Ir N2 O3 P -","- C216 H244 B4 Ir4 N8 O12 P4 -","4","1","","Albertin, Gabriele; Antoniutti, Stefano; Bortoluzzi, Marco; Castro, Jesús; Sibilla, Francesca; Trave, Enrico","Preparation of metalated azine complexes of iridium(iii)","New J. Chem.","2017","41","21","12976","12988","10.1039/C7NJ02224G","","","0.71073","MoKα","","0.0244","0.0217","","","0.039","0.0398","","","","","","1.067","","","","has coordinates","301442","2025-08-04","07:33:55",""
"7056667","8.8062","0.0018","17.518","0.004","8.1176","0.0016","90","","103.15","0.03","90","","1219.4","0.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H11 N5 O5 -","- C10 H11 N5 O5 -","- C40 H44 N20 O20 -","4","1","","Wang, Jin-Wen; Li, Yao-Jia; Chen, Chen; Luo, Yang-Hui; Sun, Baiwang","Substituent swap affect the crystal structure and properties of N-benzyl-4-amino-1, 2, 4-triazole related organic salts","New J. Chem.","2017","41","22","13846","13854","10.1039/C7NJ03445H","","","0.71073","MoKα","","0.1555","0.0875","","","0.1798","0.2043","","","","","","1.169","","","","has coordinates","301442","2025-08-04","07:33:55",""
"7056668","4.2","0.0008","8.507","0.0017","17.069","0.003","90","","94.05","0.03","90","","608.3","0.2","293","2","293","2","","","","","","","","4","P 1 n 1","P -2yac","7","","","","- C10 H11 N5 O5 -","- C10 H11 N5 O5 -","- C20 H22 N10 O10 -","2","1","","Wang, Jin-Wen; Li, Yao-Jia; Chen, Chen; Luo, Yang-Hui; Sun, Baiwang","Substituent swap affect the crystal structure and properties of N-benzyl-4-amino-1, 2, 4-triazole related organic salts","New J. Chem.","2017","41","22","13846","13854","10.1039/C7NJ03445H","","","0.71073","MoKα","","0.0458","0.0404","","","0.1162","0.1226","","","","","","1.001","","","","has coordinates","301851","2025-08-21","20:32:56",""
"7056669","4.419","0.0009","8.581","0.0017","17.499","0.004","90","","91.35","0.03","90","","663.4","0.2","293","2","293","2","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C10 H11 Cl N4 O6 -","- C10 H11 Cl N4 O6 -","- C20 H22 Cl2 N8 O12 -","2","1","","Wang, Jin-Wen; Li, Yao-Jia; Chen, Chen; Luo, Yang-Hui; Sun, Baiwang","Substituent swap affect the crystal structure and properties of N-benzyl-4-amino-1, 2, 4-triazole related organic salts","New J. Chem.","2017","41","22","13846","13854","10.1039/C7NJ03445H","","","0.71073","MoKα","","0.0681","0.0553","","","0.1418","0.153","","","","","","1.08","","","","has coordinates","301851","2025-08-21","20:32:56",""
"7056670","21.2012","0.0014","7.069","0.003","17.137","","90","","90","","90","","2568.3","1.1","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C20 H25 N8 O9 P -","- C20 H25 N8 O9 P -","- C80 H100 N32 O36 P4 -","4","1","","Wang, Jin-Wen; Li, Yao-Jia; Chen, Chen; Luo, Yang-Hui; Sun, Baiwang","Substituent swap affect the crystal structure and properties of N-benzyl-4-amino-1, 2, 4-triazole related organic salts","New J. Chem.","2017","41","22","13846","13854","10.1039/C7NJ03445H","","","0.71073","MoKα","","0.1354","0.0923","","","0.2198","0.244","","","","","","1.069","","","","has coordinates","301851","2025-08-21","20:32:56",""
"7056671","8.011","0.0016","11.071","0.002","13.968","0.003","100.75","0.03","91.99","0.03","108.46","0.03","1148.6","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H21 Cl N8 O8 -","- C20 H21 Cl N8 O8 -","- C40 H42 Cl2 N16 O16 -","2","1","","Wang, Jin-Wen; Li, Yao-Jia; Chen, Chen; Luo, Yang-Hui; Sun, Baiwang","Substituent swap affect the crystal structure and properties of N-benzyl-4-amino-1, 2, 4-triazole related organic salts","New J. Chem.","2017","41","22","13846","13854","10.1039/C7NJ03445H","","","0.71073","MoKα","","0.0863","0.0581","","","0.1522","0.1712","","","","","","1.059","","","","has coordinates","301442","2025-08-04","07:33:55",""
"7056672","4.4091","0.0009","8.6022","0.0017","17.525","0.004","90","","91.34","0.03","90","","664.5","0.2","293","2","293","2","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C10 H13 N4 O6 P -","- C10 H13 N4 O6 P -","- C20 H26 N8 O12 P2 -","2","1","","Wang, Jin-Wen; Li, Yao-Jia; Chen, Chen; Luo, Yang-Hui; Sun, Baiwang","Substituent swap affect the crystal structure and properties of N-benzyl-4-amino-1, 2, 4-triazole related organic salts","New J. Chem.","2017","41","22","13846","13854","10.1039/C7NJ03445H","","","0.71073","MoKα","","0.075","0.0558","","","0.1205","0.1404","","","","","","0.995","","","","has coordinates","301851","2025-08-21","20:32:56",""
"7056673","5.422","0.0011","10.436","0.002","17.944","0.004","90","","91.2","0.03","90","","1015.1","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H10 N4 O2 -","- C10 H10 N4 O2 -","- C40 H40 N16 O8 -","4","1","","Wang, Jin-Wen; Li, Yao-Jia; Chen, Chen; Luo, Yang-Hui; Sun, Baiwang","Substituent swap affect the crystal structure and properties of N-benzyl-4-amino-1, 2, 4-triazole related organic salts","New J. Chem.","2017","41","22","13846","13854","10.1039/C7NJ03445H","","","0.71073","MoKα","","0.1","0.0561","","","0.1331","0.1581","","","","","","1.002","","","","has coordinates","301851","2025-08-21","20:32:56",""
"7056674","5.835","0.0004","8.6412","0.0006","15.4578","0.001","85.662","0.001","83.585","0.001","86.652","0.001","771.32","0.09","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H17 Cl O S2 -","- C15 H17 Cl O S2 -","- C30 H34 Cl2 O2 S4 -","2","1","","Kurva, Srinivas; Sriramoju, Vinodkumar; Madabhushi, Sridhar; Nanubolu, Jagadeesh Babu","Synthesis of polysubstituted 3,4-dihydro-2H-thiopyrans by regioselective annulation of 3,3-disubstituted allylic alcohols with a β-oxodithioester","New J. Chem.","2017","41","22","13219","13221","10.1039/C7NJ03025H","","","0.71073","MoKα","","0.0404","0.0376","","","0.1039","0.1066","","","","","","1.07","","","","has coordinates","301851","2025-08-21","20:32:56",""
"7056675","11.3734","0.0005","7.9651","0.0003","15.65","0.0007","90","","94.572","0.002","90","","1413.23","0.1","223","2","223","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Ethyl 4',6'-dimethyl-2-oxo-2H-[1,2'-bipyridine]-5-carboxylate","","- C15 H16 N2 O3 -","- C15 H16 N2 O3 -","- C60 H64 N8 O12 -","4","1","","Akhtar, Muhammad Saeed; Shim, Jae-Jin; Kim, Sung Hong; Lee, Yong Rok","Novel construction of diversely functionalized N-heteroaryl-2-pyridones via copper(ii)-catalyzed [3+2+1] annulation","New J. Chem.","2017","41","21","13027","13035","10.1039/C7NJ03013D","","","0.71073","MoKα","","0.0763","0.0459","","","0.1101","0.1283","","","","","","1.038","","","","has coordinates","301851","2025-08-21","20:32:56",""
"7056676","13.1184","0.0006","12.6369","0.0005","32.3036","0.0012","90","","96.168","0.004","90","","5324.2","0.4","293","2","293","2","","","","","","","","7","P 1 n 1","P -2yac","7","","","","- C32 H113 Er Ge2 Mo22 N8 O100 -","- C20 H50 Er Ge2 Mo22 N5 O83 -","- C40 H100 Er2 Ge4 Mo44 N10 O166 -","2","1","","Jin, Zhanbin; Bai, Jie; Wei, Tingting; Li, Fengyan; Song, Chunli; Luo, Xinze; Xu, Lin","New series of mononuclear lanthanide single molecule magnets based on sandwich-type germanomolybdates [Ln(GeMo11O39)2]13- (Ln = ErIII, GdIII, DyIII or TbIII)","New J. Chem.","2017","41","22","13490","13494","10.1039/C7NJ02104F","","","0.71073","MoKα","","0.053","0.0452","","","0.1032","0.1082","","","","","","1.013","","","","has coordinates","301442","2025-08-04","07:33:56",""
"7056677","13.2175","0.0003","12.7258","0.0004","32.5224","0.001","90","","96.203","0.003","90","","5438.3","0.3","293","2","293","2","","","","","","","","7","P 1 n 1","P -2yac","7","","","","- C32 H111 Gd Ge2 Mo22 N8 O99 -","- C28 H68 Gd Ge2 Mo22 N7 O85 -","- C56 H136 Gd2 Ge4 Mo44 N14 O170 -","2","1","","Jin, Zhanbin; Bai, Jie; Wei, Tingting; Li, Fengyan; Song, Chunli; Luo, Xinze; Xu, Lin","New series of mononuclear lanthanide single molecule magnets based on sandwich-type germanomolybdates [Ln(GeMo11O39)2]13- (Ln = ErIII, GdIII, DyIII or TbIII)","New J. Chem.","2017","41","22","13490","13494","10.1039/C7NJ02104F","","","0.71073","MoKα","","0.0409","0.0391","","","0.1007","0.1023","","","","","","1.024","","","","has coordinates","301442","2025-08-04","07:33:56",""
"7056678","13.2127","0.0003","12.7291","0.0003","32.5182","0.001","90","","96.158","0.002","90","","5437.5","0.2","293","2","293","2","","","","","","","","7","P 1 n 1","P -2yac","7","","","","- C32 H115 Dy Ge2 Mo22 N8 O101 -","- C24 H56 Dy Ge2 Mo22 N6 O84 -","- C48 H112 Dy2 Ge4 Mo44 N12 O168 -","2","1","","Jin, Zhanbin; Bai, Jie; Wei, Tingting; Li, Fengyan; Song, Chunli; Luo, Xinze; Xu, Lin","New series of mononuclear lanthanide single molecule magnets based on sandwich-type germanomolybdates [Ln(GeMo11O39)2]13- (Ln = ErIII, GdIII, DyIII or TbIII)","New J. Chem.","2017","41","22","13490","13494","10.1039/C7NJ02104F","","","0.71073","MoKα","","0.0417","0.0399","","","0.111","0.1129","","","","","","1.04","","","","has coordinates","301442","2025-08-04","07:33:56",""
"7056679","13.2174","0.0006","12.7175","0.0006","32.4095","0.0014","90","","96.294","0.004","90","","5415","0.4","293","2","293","2","","","","","","","","7","P 1 n 1","P -2yac","7","","","","- C32 H113 Ge2 Mo22 N8 O100 Tb -","- C28 H56 Ge2 Mo22 N7 O85 Tb -","- C56 H112 Ge4 Mo44 N14 O170 Tb2 -","2","1","","Jin, Zhanbin; Bai, Jie; Wei, Tingting; Li, Fengyan; Song, Chunli; Luo, Xinze; Xu, Lin","New series of mononuclear lanthanide single molecule magnets based on sandwich-type germanomolybdates [Ln(GeMo11O39)2]13- (Ln = ErIII, GdIII, DyIII or TbIII)","New J. Chem.","2017","41","22","13490","13494","10.1039/C7NJ02104F","","","0.71073","MoKα","","0.0382","0.0363","","","0.0962","0.0977","","","","","","1.023","","","","has coordinates","301442","2025-08-04","07:33:56",""
"7056680","9.5639","0.0005","29.929","0.0012","10.7888","0.0005","90","","116.105","0.006","90","","2773.1","0.3","100.01","0.1","100.01","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H29 N6 Ni O3.75 S -","- C30 H29.606 N6 Ni O3.803 S -","- C120 H118.424 N24 Ni4 O15.212 S4 -","4","1","","Vereshchagin, Anatoliy A.; Sizov, Vladimir; Vlasov, Petr; Alekseeva, Elena V.; Konev, Alexander S.; Levin, Oleg V.","Water-stable [Ni(salen)]-type electrode material based on phenylazosubstituted salicylic aldehyde imine ligand","New J. Chem.","2017","41","22","13918","13928","10.1039/C7NJ03526H","","x-ray","1.54184","CuKα","","0.0634","0.0549","","","0.1377","0.1469","","","","","","1.043","","","","has coordinates,has disorder","301442","2025-08-04","07:33:56",""
"7056681","18.2388","0.0001","51.6192","0.0004","20.9479","0.0002","90","","102.414","0.0003","90","","19260.7","0.3","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C128 N15 O69 Si2 W20 Zn -","- C128 N15 O69 Si2 W20 Zn -","- C512 N60 O276 Si8 W80 Zn4 -","4","1","","Jeong, Jinu; Suzuki, Kosuke; Yamaguchi, Kazuya; Mizuno, Noritaka","Visible-light-responsive catalysis of a zinc-introduced lacunary disilicoicosatungstate for deoxygenation of pyridine N-oxides","New J. Chem.","2017","41","22","13226","13229","10.1039/C7NJ03057F","","","0.71069","MoKα","","0.0932","0.0777","","","0.1782","0.191","","","","","","1.2","","","","has coordinates","301442","2025-08-04","07:33:56",""
"7056682","23.021","0.005","16.305","0.003","24.931","0.005","90","","108.69","0.03","90","","8865","3","150","2","150","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C76 H70 Ca Cl14 Mo6 N2 O6 P4 -","- C76 H70 Ca Cl14 Mo6 N2 O6 P4 -","- C304 H280 Ca4 Cl56 Mo24 N8 O24 P16 -","4","0.5","","Evtushok, Darya V.; Vorotnikova, Natalya A.; Logvinenko, Vladimir A.; Smolentsev, Anton I.; Brylev, Konstantin; Plyusnin, Pavel E.; Pishchur, Denis P.; Kitamura, N.; Mironov, Yuri V.; Solovieva, Anastasiya O.; Efremova, Olga A.; Shestopalov, Michael A.","Luminescent Coordination Polymers Based on Ca2+ and Octahedral Cluster Anions [{M6Cli8}Cla6]2– (M = Mo, W): Synthesis and Thermal Stability Studies","New J. Chem.","2017","41","24","14855","14861","10.1039/C7NJ02858J","","","0.71073","MoKα","","0.0607","0.0331","","","0.0757","0.0829","","","","","","1.023","","","","has coordinates","301442","2025-08-04","07:33:57",""
"7056683","25.3726","0.001","14.1362","0.0006","24.2685","0.0011","90","","113.212","0.001","90","","7999.8","0.6","150","2","150","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C72 H60 Ca Cl14 O4 P4 W6 -","- C72 H60 Ca Cl14 O4 P4 W6 -","- C288 H240 Ca4 Cl56 O16 P16 W24 -","4","0.5","","Evtushok, Darya V.; Vorotnikova, Natalya A.; Logvinenko, Vladimir A.; Smolentsev, Anton I.; Brylev, Konstantin; Plyusnin, Pavel E.; Pishchur, Denis P.; Kitamura, N.; Mironov, Yuri V.; Solovieva, Anastasiya O.; Efremova, Olga A.; Shestopalov, Michael A.","Luminescent Coordination Polymers Based on Ca2+ and Octahedral Cluster Anions [{M6Cli8}Cla6]2– (M = Mo, W): Synthesis and Thermal Stability Studies","New J. Chem.","2017","41","24","14855","14861","10.1039/C7NJ02858J","","","0.71073","MoKα","","0.0707","0.0367","","","0.0739","0.0818","","","","","","0.98","","","","has coordinates","301442","2025-08-04","07:33:57",""
"7056684","22.955","0.005","16.219","0.003","24.818","0.005","90","","108.58","0.03","90","","8758","3","150","2","150","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C76 H70 Ca Cl14 N2 O6 P4 W6 -","- C76 H70 Ca Cl14 N2 O6 P4 W6 -","- C304 H280 Ca4 Cl56 N8 O24 P16 W24 -","4","0.5","","Evtushok, Darya V.; Vorotnikova, Natalya A.; Logvinenko, Vladimir A.; Smolentsev, Anton I.; Brylev, Konstantin; Plyusnin, Pavel E.; Pishchur, Denis P.; Kitamura, N.; Mironov, Yuri V.; Solovieva, Anastasiya O.; Efremova, Olga A.; Shestopalov, Michael A.","Luminescent Coordination Polymers Based on Ca2+ and Octahedral Cluster Anions [{M6Cli8}Cla6]2– (M = Mo, W): Synthesis and Thermal Stability Studies","New J. Chem.","2017","41","24","14855","14861","10.1039/C7NJ02858J","","","0.71073","MoKα","","0.0756","0.0616","","","0.1328","0.1471","","","","","","0.985","","","","has coordinates","301442","2025-08-04","07:33:57",""
"7056685","8.871","0.0007","16.8165","0.0014","21.3749","0.0014","90","","114.521","0.002","90","","2901.1","0.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H40 B Cu F4 N8 -","- C24 H40 B Cu F4 N8 -","- C96 H160 B4 Cu4 F16 N32 -","4","1","","Melekhova, Anna A.; Novikov, Alexander S.; Panikorovsky, Taras L.; Bokach, Nadezhda A.; Kukushkin, Vadim Yu.","Novel Family of Homoleptic Copper(I) Complexes Featuring Disubstituted Cyanamides: Combined Synthetic, Structural, and Theoretical Study","New J. Chem.","2017","41","23","14557","14566","10.1039/C7NJ02798B","","","0.71073","MoKα","","0.0524","0.042","","","0.1024","0.1082","","","","","","1.079","","","","has coordinates","301851","2025-08-21","20:32:56",""
"7056686","9.8926","0.0002","17.9661","0.0003","15.057","0.0002","90","","91.906","0.002","90","","2674.62","0.08","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C20 H32 B Cu F4 N8 O4 -","- C20 H32 B Cu F4 N8 O4 -","- C80 H128 B4 Cu4 F16 N32 O16 -","4","2","","Melekhova, Anna A.; Novikov, Alexander S.; Panikorovsky, Taras L.; Bokach, Nadezhda A.; Kukushkin, Vadim Yu.","Novel Family of Homoleptic Copper(I) Complexes Featuring Disubstituted Cyanamides: Combined Synthetic, Structural, and Theoretical Study","New J. Chem.","2017","41","23","14557","14566","10.1039/C7NJ02798B","","","0.71073","MoKα","","0.0274","0.0251","","","0.0604","0.0618","","","","","","1.028","","","","has coordinates","301851","2025-08-21","20:32:56",""
"7056687","12.423","0.0004","12.423","0.0004","26.376","0.002","90","","90","","90","","4070.6","0.4","100","2","100","2","","","","","","","","6","I -4 2 d","I -4 2bw","122","","","","- C12 H24 B Cu F4 N8 -","- C12 H24 B Cu F4 N8 -","- C96 H192 B8 Cu8 F32 N64 -","8","0.5","","Melekhova, Anna A.; Novikov, Alexander S.; Panikorovsky, Taras L.; Bokach, Nadezhda A.; Kukushkin, Vadim Yu.","Novel Family of Homoleptic Copper(I) Complexes Featuring Disubstituted Cyanamides: Combined Synthetic, Structural, and Theoretical Study","New J. Chem.","2017","41","23","14557","14566","10.1039/C7NJ02798B","","","0.71073","MoKα","","0.0274","0.0218","","","0.0528","0.0557","","","","","","1.142","","","","has coordinates","301851","2025-08-21","20:32:56",""
"7056688","10.0889","0.0013","12.1516","0.0015","13.1028","0.0018","105.885","0.003","98.459","0.004","98.029","0.004","1500.6","0.3","123","2","123","2","","","","","","","","8","P -1","-P 1","2","","[Fe(qsal-Cl)(qsal-Br)]NCS MeOH","","- C34 H24 Br Cl Fe N5 O3 S -","- C34 H24 Br Cl Fe N5 O3 S -","- C68 H48 Br2 Cl2 Fe2 N10 O6 S2 -","2","1","","Phonsri, Wasinee; Harding, Phimphaka; Murray, Keith S.; Moubaraki, Boujemaa; Harding, David J.","Spin crossover in mixed ligand iron(III) complexes","New J. Chem.","2017","41","22","13747","13753","10.1039/C7NJ03676K","","","0.71073","MoKα","","0.1044","0.0903","","","0.2435","0.2518","","","","","","1.08","","","","has coordinates,has disorder","301851","2025-08-21","20:32:56",""
"7056689","13.6206","0.0005","13.6929","0.0005","16.2779","0.0006","112.954","0.002","96.785","0.002","110.518","0.002","2501.27","0.18","123","2","123","2","","","","","","","","8","P -1","-P 1","2","","","","- C58 H44 B Br Cl5 Fe N4 O2 -","- C58 H44 B Br Cl5 Fe N4 O2 -","- C116 H88 B2 Br2 Cl10 Fe2 N8 O4 -","2","1","","Phonsri, Wasinee; Harding, Phimphaka; Murray, Keith S.; Moubaraki, Boujemaa; Harding, David J.","Spin crossover in mixed ligand iron(III) complexes","New J. Chem.","2017","41","22","13747","13753","10.1039/C7NJ03676K","","","0.71073","MoKα","","0.1152","0.0548","","","0.111","0.1331","","","","","","1.025","","","","has coordinates,has disorder","301851","2025-08-21","20:32:56",""
"7056690","14.0102","0.0007","19.1475","0.0009","12.2634","0.0005","90","","111.177","0.001","90","","3067.6","0.2","123","2","123","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","[Fe(qsal-Cl)(qsal-Br)]CF3SO3","","- C33.5 H20.5 Br Cl F3 Fe N4 O5.5 S -","- C33.5 H20.5 Br Cl F3 Fe N4 O5.5 S -","- C134 H82 Br4 Cl4 F12 Fe4 N16 O22 S4 -","4","1","","Phonsri, Wasinee; Harding, Phimphaka; Murray, Keith S.; Moubaraki, Boujemaa; Harding, David J.","Spin crossover in mixed ligand iron(III) complexes","New J. Chem.","2017","41","22","13747","13753","10.1039/C7NJ03676K","","","0.71073","MoKα","","0.0812","0.0534","","","0.1366","0.1522","","","","","","1.049","","","","has coordinates,has disorder","301442","2025-08-04","07:34:00",""
"7056691","13.719","0.002","14.012","0.003","16.606","0.005","113.81","0.02","96.164","0.018","110.831","0.019","2609.4","1.3","267","9","267","9","","","","","","","","8","P -1","-P 1","2","","[Fe(qsal-Cl)(qsal-Br)]BPh4","","- C58 H44 B Br Cl5 Fe N4 O2 -","- C58 H44 B Br Cl5 Fe N4 O2 -","- C116 H88 B2 Br2 Cl10 Fe2 N8 O4 -","2","1","","Phonsri, Wasinee; Harding, Phimphaka; Murray, Keith S.; Moubaraki, Boujemaa; Harding, David J.","Spin crossover in mixed ligand iron(III) complexes","New J. Chem.","2017","41","22","13747","13753","10.1039/C7NJ03676K","","","0.7107","MoKα","","0.193","0.0869","","","0.2265","0.3093","","","","","","0.948","","","","has coordinates,has disorder","301851","2025-08-21","20:32:56",""
"7056692","10.3803","0.0006","12.557","0.0007","23.1729","0.0014","86.246","0.003","81.312","0.003","89.492","0.003","2979.4","0.3","123","2","123","2","","","","","","","","9","P -1","-P 1","2","","[Fe(qsal-Cl)(qsal-Br)]PF6","","- C32 H20 Br Cl F6 Fe N4 O2 P -","- C32 H20 Br Cl F6 Fe N4 O2 P -","- C128 H80 Br4 Cl4 F24 Fe4 N16 O8 P4 -","4","2","","Phonsri, Wasinee; Harding, Phimphaka; Murray, Keith S.; Moubaraki, Boujemaa; Harding, David J.","Spin crossover in mixed ligand iron(III) complexes","New J. Chem.","2017","41","22","13747","13753","10.1039/C7NJ03676K","","","0.71073","MoKα","","0.167","0.0552","","","0.0752","0.0953","","","","","","0.76","","","","has coordinates,has disorder","301851","2025-08-21","20:32:56",""
"7056693","13.5484","0.0008","13.5845","0.0006","16.3212","0.001","97.29","0.004","112.892","0.005","109.908","0.005","2482.6","0.3","100.01","0.1","100.01","0.1","","","","","","","","8","P -1","-P 1","2","","[Fe(qsal-Cl)(qsal-Br)]BPh4","","- C58 H44 B Br Cl5 Fe N4 O2 -","- C58 H44 B Br Cl5 Fe N4 O2 -","- C116 H88 B2 Br2 Cl10 Fe2 N8 O4 -","2","1","","Phonsri, Wasinee; Harding, Phimphaka; Murray, Keith S.; Moubaraki, Boujemaa; Harding, David J.","Spin crossover in mixed ligand iron(III) complexes","New J. Chem.","2017","41","22","13747","13753","10.1039/C7NJ03676K","","","0.7107","MoKα","","0.0826","0.0476","","","0.1042","0.122","","","","","","1.007","","","","has coordinates,has disorder","301851","2025-08-21","20:32:56",""
"7056694","11.8119","0.0004","13.0851","0.0004","13.4912","0.0004","90.401","0.001","91.035","0.001","107.506","0.002","1988.13","0.11","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C13 H19 Cl2 Cu N3 O -","- C13 H19 Cl2 Cu N3 O -","- C52 H76 Cl8 Cu4 N12 O4 -","4","2","","Kumari, Sweta; Mahato, Arun Kumar; Maurya, Abhishek; Singh, Vijay Kumar; Kesharwani, Neha; Kachhap, Payal; Koshevoy, Igor O.; Haldar, Chanchal","Syntheses and characterization of monobasic tridentate Cu(ii) Schiff-base complexes for efficient oxidation of 3,5-di-tert-butylcatechol and oxidative bromination of organic substrates","New J. Chem.","2017","41","22","13625","13646","10.1039/C7NJ00957G","","","0.71073","MoKα","","0.0497","0.0327","","","0.0778","0.0839","","","","","","1.031","","","","has coordinates","301442","2025-08-04","07:34:00",""
"7056695","22.4034","0.0016","14.9191","0.0016","20.435","0.002","90","","113.618","0.004","90","","6258","1","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C30 H74 Co7 N12 O22 S6 -","- C30 H54 Co7 N12 O12 S6 -","- C120 H216 Co28 N48 O48 S24 -","4","0.5","","Ahamad, M. Naqi; Sama, Farasha; Akhtar, Muhammad Nadeem; Chen, Yan-Cong; Tong, Mingliang; Ahmad, Musheer; Shahid, M.; Hussain, Sahid; Khan, Kulsum","A disc like Co7 cluster with solvent dependent catecholase activity","New J. Chem.","2017","41","23","14057","14061","10.1039/C7NJ03149A","","","0.71073","MoKα","","0.1268","0.0664","","","0.1514","0.1793","","","","","","1.027","","","","has coordinates","301442","2025-08-04","07:34:00",""
"7056696","13.66","0.03","19.02","0.04","10.88","0.02","90","","90","","90","","2827","10","273","2","273","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C16 H14 Fe N2 O2 -","- C16 H14 Fe N2 O2 -","- C128 H112 Fe8 N16 O16 -","8","2","","Deb, Mayukh; Singh, Jatinder; Mallik, Shuvadip; Hazra, Susanta; Elias, Anil J.","Borylation, silylation and selenation of C-H bonds in metal sandwich compounds by applying a directing group strategy","New J. Chem.","2017","41","23","14528","14538","10.1039/C7NJ02388J","","","0.71073","MoKα","","0.0653","0.0445","","","0.0822","0.0898","","","","","","0.921","","","","has coordinates","301442","2025-08-04","07:34:00",""
"7056697","11.285","0.019","13.21","0.02","15.82","0.03","98.5","0.02","97.19","0.04","107.13","0.03","2193","6","273","2","273","2","","","","","","","","8","P -1","-P 1","2","","","","- C46 H39 Cl2 Co N2 O3 Pd S -","- C46 H39 Cl2 Co N2 O3 Pd S -","- C92 H78 Cl4 Co2 N4 O6 Pd2 S2 -","2","1","","Deb, Mayukh; Singh, Jatinder; Mallik, Shuvadip; Hazra, Susanta; Elias, Anil J.","Borylation, silylation and selenation of C-H bonds in metal sandwich compounds by applying a directing group strategy","New J. Chem.","2017","41","23","14528","14538","10.1039/C7NJ02388J","","","0.71073","MoKα","","0.0566","0.0426","","","0.1035","0.1112","","","","","","1.005","","","","has coordinates","301442","2025-08-04","07:34:00",""
"7056698","11.024","0.011","20.65","0.02","14.762","0.011","90","","97.1","0.03","90","","3335","5","273","2","273","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C41 H30 Co N3 O2 Pd -","- C41 H30 Co N3 O2 Pd -","- C164 H120 Co4 N12 O8 Pd4 -","4","1","","Deb, Mayukh; Singh, Jatinder; Mallik, Shuvadip; Hazra, Susanta; Elias, Anil J.","Borylation, silylation and selenation of C-H bonds in metal sandwich compounds by applying a directing group strategy","New J. Chem.","2017","41","23","14528","14538","10.1039/C7NJ02388J","","","0.71073","MoKα","","0.1168","0.0498","","","0.0634","0.0749","","","","","","0.724","","","","has coordinates","301442","2025-08-04","07:34:00",""
"7056699","12.92","0.04","14.34","0.04","17.16","0.06","90","","93.61","0.03","90","","3173","17","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C39 H29 Co N2 O2 -","- C39 H29 Co N2 O2 -","- C156 H116 Co4 N8 O8 -","4","1","","Deb, Mayukh; Singh, Jatinder; Mallik, Shuvadip; Hazra, Susanta; Elias, Anil J.","Borylation, silylation and selenation of C-H bonds in metal sandwich compounds by applying a directing group strategy","New J. Chem.","2017","41","23","14528","14538","10.1039/C7NJ02388J","","","0.71073","MoKα","","0.0754","0.0438","","","0.0849","0.0924","","","","","","0.882","","","","has coordinates","301442","2025-08-04","07:34:00",""
"7056700","10.27","0.02","16.5","0.03","23.24","0.05","90","","90","","90","","3938","13","273","2","273","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C49 H35 Co N2 O Se -","- C49 H35 Co N2 O Se -","- C196 H140 Co4 N8 O4 Se4 -","4","1","","Deb, Mayukh; Singh, Jatinder; Mallik, Shuvadip; Hazra, Susanta; Elias, Anil J.","Borylation, silylation and selenation of C-H bonds in metal sandwich compounds by applying a directing group strategy","New J. Chem.","2017","41","23","14528","14538","10.1039/C7NJ02388J","","","0.71073","MoKα","","0.1529","0.094","","","0.1256","0.1426","","","","","","1.064","","","","has coordinates","301442","2025-08-04","07:34:00",""
"7056701","10.257","0.002","11.746","0.002","18.873","0.004","96.25","0.03","92.91","0.03","94.13","0.03","2250.5","0.8","273","2","273","2","","","","","","","","8","P -1","-P 1","2","","","","- C48 H44 B Cl3 Co N O3 S -","- C48 H44 B Cl3 Co N O3 S -","- C96 H88 B2 Cl6 Co2 N2 O6 S2 -","2","1","","Deb, Mayukh; Singh, Jatinder; Mallik, Shuvadip; Hazra, Susanta; Elias, Anil J.","Borylation, silylation and selenation of C-H bonds in metal sandwich compounds by applying a directing group strategy","New J. Chem.","2017","41","23","14528","14538","10.1039/C7NJ02388J","","","0.71073","MoKα","","0.1639","0.0626","","","0.1201","0.1506","","","","","","0.776","","","","has coordinates","301442","2025-08-04","07:34:00",""
"7056702","11.64","0.05","13.37","0.05","13.68","0.06","65.93","0.1","78.53","0.07","77.94","0.07","1885","14","273","2","273","2","","","","","","","","6","P -1","-P 1","2","","","","- C45 H40 B Co N2 O3 -","- C45 H40 B Co N2 O3 -","- C90 H80 B2 Co2 N4 O6 -","2","1","","Deb, Mayukh; Singh, Jatinder; Mallik, Shuvadip; Hazra, Susanta; Elias, Anil J.","Borylation, silylation and selenation of C-H bonds in metal sandwich compounds by applying a directing group strategy","New J. Chem.","2017","41","23","14528","14538","10.1039/C7NJ02388J","","","0.71073","MoKα","","0.096","0.0529","","","0.0901","0.1025","","","","","","0.832","","","","has coordinates","301442","2025-08-04","07:34:00",""
"7056703","13","0.03","13.25","0.03","23.77","0.05","84.63","0.02","86.64","0.02","72.88","0.03","3894","15","273","2","273","2","","","","","","","","7","P -1","-P 1","2","","","","- C44 H40 Co N O S Si -","- C44 H40 Co N O S Si -","- C176 H160 Co4 N4 O4 S4 Si4 -","4","2","","Deb, Mayukh; Singh, Jatinder; Mallik, Shuvadip; Hazra, Susanta; Elias, Anil J.","Borylation, silylation and selenation of C-H bonds in metal sandwich compounds by applying a directing group strategy","New J. Chem.","2017","41","23","14528","14538","10.1039/C7NJ02388J","","","0.71073","MoKα","","0.0966","0.0559","","","0.1212","0.1339","","","","","","0.916","","","","has coordinates","301442","2025-08-04","07:34:00",""
"7056704","11.255","0.006","22.409","0.01","12.599","0.006","90","","90.186","0.016","90","","3178","3","304","2","304","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C41 H32 Co N O S -","- C41 H32 Co N O S -","- C164 H128 Co4 N4 O4 S4 -","4","1","","Deb, Mayukh; Singh, Jatinder; Mallik, Shuvadip; Hazra, Susanta; Elias, Anil J.","Borylation, silylation and selenation of C-H bonds in metal sandwich compounds by applying a directing group strategy","New J. Chem.","2017","41","23","14528","14538","10.1039/C7NJ02388J","","","0.71073","MoKα","","0.0869","0.0467","","","0.1073","0.1237","","","","","","1.025","","","","has coordinates","301442","2025-08-04","07:34:00",""
"7056705","10.8","0.03","11.71","0.03","15.37","0.04","95.62","0.04","101.53","0.04","103.73","0.04","1828","8","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H16 Fe N3 O2.5 Pd -","- C18 H16 Fe N3 O2.5 Pd -","- C72 H64 Fe4 N12 O10 Pd4 -","4","2","","Deb, Mayukh; Singh, Jatinder; Mallik, Shuvadip; Hazra, Susanta; Elias, Anil J.","Borylation, silylation and selenation of C-H bonds in metal sandwich compounds by applying a directing group strategy","New J. Chem.","2017","41","23","14528","14538","10.1039/C7NJ02388J","","","0.71073","MoKα","","0.0816","0.05","","","0.1147","0.134","","","","","","0.931","","","","has coordinates","301442","2025-08-04","07:34:00",""
"7056706","9.91","0.03","12.38","0.03","14.01","0.04","90","","90","","90","","1719","8","273","2","273","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C18 H17 Fe N O S -","- C18 H17 Fe N O S -","- C72 H68 Fe4 N4 O4 S4 -","4","1","","Deb, Mayukh; Singh, Jatinder; Mallik, Shuvadip; Hazra, Susanta; Elias, Anil J.","Borylation, silylation and selenation of C-H bonds in metal sandwich compounds by applying a directing group strategy","New J. Chem.","2017","41","23","14528","14538","10.1039/C7NJ02388J","","","0.71073","MoKα","","0.0533","0.0377","","","0.0643","0.0687","","","","","","0.864","","","","has coordinates","301442","2025-08-04","07:34:00",""
"7056707","14.2613","0.0007","14.2613","0.0007","30.489","0.002","90","","90","","120","","5370.2","0.5","293","2","293","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C39 H28 Fe N6 O6.5 -","- C39 H27.9999 Fe N6 O6.5 -","- C234 H167.999 Fe6 N36 O39 -","6","0.333333","","Lee, Sze-Ling; Hu, Fei-long; Shang, Xiu-Juan; Shi, Yi-Xiang; Tan, Ai Ling; Mizera, Jens; Clegg, Jack Kay; Zhang, Wen-Hua; Young, David James; Lang, Jian-Ping","Efficient ring-opening polymerization (ROP) of ɛ-caprolactone catalysed by isomeric pyridyl β-diketonate iron(lll) complexes","New J. Chem.","2017","41","23","14457","14465","10.1039/C7NJ03571C","","","0.71073","MoKα","","0.1015","0.0751","","","0.2468","0.2725","","","","","","1.099","","","","has coordinates,has disorder","301442","2025-08-04","07:34:00",""
"7056708","10.5081","0.0012","12.0042","0.0018","16.4968","0.0018","77.517","0.003","73.321","0.003","75.069","0.003","1903.2","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C42.5 H35 Cl Fe N6 O6 -","- C42.5 H35 Cl Fe N6 O6 -","- C85 H70 Cl2 Fe2 N12 O12 -","2","1","","Lee, Sze-Ling; Hu, Fei-long; Shang, Xiu-Juan; Shi, Yi-Xiang; Tan, Ai Ling; Mizera, Jens; Clegg, Jack Kay; Zhang, Wen-Hua; Young, David James; Lang, Jian-Ping","Efficient ring-opening polymerization (ROP) of ɛ-caprolactone catalysed by isomeric pyridyl β-diketonate iron(lll) complexes","New J. Chem.","2017","41","23","14457","14465","10.1039/C7NJ03571C","","","0.71073","MoKα","","0.0745","0.0543","","","0.1233","0.1329","","","","","","1.045","","","","has coordinates,has disorder","301442","2025-08-04","07:34:01",""
"7056709","13.7398","0.0016","13.7398","0.0016","33.05","0.007","90","","90","","120","","5403.3","1.4","293","2","293","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C39 H28 Fe N6 O6.5 -","- C39 H27 Fe N6 O6.5 -","- C234 H162 Fe6 N36 O39 -","6","0.333333","","Lee, Sze-Ling; Hu, Fei-long; Shang, Xiu-Juan; Shi, Yi-Xiang; Tan, Ai Ling; Mizera, Jens; Clegg, Jack Kay; Zhang, Wen-Hua; Young, David James; Lang, Jian-Ping","Efficient ring-opening polymerization (ROP) of ɛ-caprolactone catalysed by isomeric pyridyl β-diketonate iron(lll) complexes","New J. Chem.","2017","41","23","14457","14465","10.1039/C7NJ03571C","","","0.71073","MoKα","","0.0836","0.0721","","","0.1807","0.19","","","","","","1.22","","","","has coordinates,has disorder","301442","2025-08-04","07:34:01",""
"7056710","10.6","0.003","12.147","0.004","16.59","0.005","77.32","0.009","73.287","0.009","74.385","0.009","1946.8","1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H34 Fe N6 O6 -","- C42 H34 Fe N6 O6 -","- C84 H68 Fe2 N12 O12 -","2","1","","Lee, Sze-Ling; Hu, Fei-long; Shang, Xiu-Juan; Shi, Yi-Xiang; Tan, Ai Ling; Mizera, Jens; Clegg, Jack Kay; Zhang, Wen-Hua; Young, David James; Lang, Jian-Ping","Efficient ring-opening polymerization (ROP) of ɛ-caprolactone catalysed by isomeric pyridyl β-diketonate iron(lll) complexes","New J. Chem.","2017","41","23","14457","14465","10.1039/C7NJ03571C","","","0.71073","MoKα","","0.0928","0.0744","","","0.1914","0.2016","","","","","","1.058","","","","has coordinates,has disorder","301851","2025-08-21","20:32:56",""
"7056711","16.0478","0.0007","16.0478","0.0007","8.2848","0.0009","90","","90","","120","","1847.8","0.2","150","2","150","2","","","","","","","","5","P -3","-P 3","147","","","","- C39 H35 Fe N6 O10 -","- C39 H27 Fe N6 O10 -","- C78 H54 Fe2 N12 O20 -","2","0.333333","","Lee, Sze-Ling; Hu, Fei-long; Shang, Xiu-Juan; Shi, Yi-Xiang; Tan, Ai Ling; Mizera, Jens; Clegg, Jack Kay; Zhang, Wen-Hua; Young, David James; Lang, Jian-Ping","Efficient ring-opening polymerization (ROP) of ɛ-caprolactone catalysed by isomeric pyridyl β-diketonate iron(lll) complexes","New J. Chem.","2017","41","23","14457","14465","10.1039/C7NJ03571C","","","0.71073","MoKα","","0.0813","0.0512","","","0.1327","0.1506","","","","","","1.037","","","","has coordinates","301442","2025-08-04","07:34:01",""
"7056712","9.0163","0.0006","22.1308","0.0013","17.6843","0.0011","90","","91.643","0.006","90","","3527.2","0.4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C39 H27 Fe N6 O6 -","- C39 H27 Fe N6 O6 -","- C156 H108 Fe4 N24 O24 -","4","0.5","","Lee, Sze-Ling; Hu, Fei-long; Shang, Xiu-Juan; Shi, Yi-Xiang; Tan, Ai Ling; Mizera, Jens; Clegg, Jack Kay; Zhang, Wen-Hua; Young, David James; Lang, Jian-Ping","Efficient ring-opening polymerization (ROP) of ɛ-caprolactone catalysed by isomeric pyridyl β-diketonate iron(lll) complexes","New J. Chem.","2017","41","23","14457","14465","10.1039/C7NJ03571C","","","0.71073","MoKα","","0.0913","0.0604","","","0.1408","0.161","","","","","","1.046","","","","has coordinates,has disorder","301442","2025-08-04","07:34:01",""
"7056713","9.751","0.0003","16.2442","0.0005","17.3619","0.0005","90","","100.538","0.002","90","","2703.69","0.14","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C29 H31 Cl2 O3 P Ru -","- C29 H31 Cl2 O3 P Ru -","- C116 H124 Cl8 O12 P4 Ru4 -","4","1","","Marchetti, Fabio; Biancalana, Lorenzo; Pratesi, Alessandro; Chiellini, Federica; Zacchini, Stefano; Funaioli, Tiziana; Gabbiani, Chiara","Ruthenium Arene Complexes with Triphenylphosphane Ligands: Cytotoxic Activity Towards Pancreatic Cancer Cells, Interaction with Model Proteins, and Critical Effect of Ethacrynic Acid Substitution","New J. Chem.","2017","41","23","14574","14588","10.1039/C7NJ02300F","","","0.71073","MoKα","","0.0448","0.033","","","0.0785","0.0875","","","","","","1.074","","","","has coordinates","301442","2025-08-04","07:34:01",""
"7056714","15.373","0.002","13.9","0.002","23.827","0.004","90","","94.239","0.004","90","","5077.5","1.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C29 H28 Cl O2 P Ru -","- C29 H28 Cl O2 P Ru -","- C232 H224 Cl8 O16 P8 Ru8 -","8","2","","Marchetti, Fabio; Biancalana, Lorenzo; Pratesi, Alessandro; Chiellini, Federica; Zacchini, Stefano; Funaioli, Tiziana; Gabbiani, Chiara","Ruthenium Arene Complexes with Triphenylphosphane Ligands: Cytotoxic Activity Towards Pancreatic Cancer Cells, Interaction with Model Proteins, and Critical Effect of Ethacrynic Acid Substitution","New J. Chem.","2017","41","23","14574","14588","10.1039/C7NJ02300F","","","0.71073","MoKα","","0.1022","0.0728","","","0.1397","0.1496","","","","","","1.132","","","","has coordinates","301442","2025-08-04","07:34:01",""
"7056715","9.3256","0.0014","16.641","0.003","31.414","0.005","90","","93.589","0.003","90","","4865.5","1.4","100","2","100.15","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","Bis(phenylanthryl)phenanthrene","3,6-bis(10-phenylanthracen-9-yl)phenanthrene","","- C57 H37 Cl9 -","- C57 H37 Cl9 -","- C228 H148 Cl36 -","4","1","","Jhulki, Samik; Mishra, Abhaya Kumar; Chow, Tahsin J.; Moorthy, J. Narasimha","Carbo[5]helicene versus planar phenanthrene as a scaffold for organic materials in OLEDs: electroluminescence of anthracene-functionalized emissive materials","New J. Chem.","2017","41","23","14730","14737","10.1039/C7NJ02233F","","","0.71073","MoKα","","0.1961","0.0884","","","0.186","0.2471","","","","","","1.032","","","","has coordinates","301851","2025-08-21","20:32:56",""
"7056716","7.6164","0.0008","19.798","0.002","7.849","0.001","90","","114.01","0.01","90","","1081.1","0.2","297","2","297","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-trifluoromethylchromone-3-cyanide-methyl","","- C12 H6 F3 N O2 -","- C12 H6 F3 N O2 -","- C48 H24 F12 N4 O8 -","4","1","","Alcivar León, Christian David; Echeverría, Gustavo A.; Piro, Oscar E.; Ulic, Sonia E.; Jios, Jorge Luis; Pereanez, Jaime A.; Henao Castañeda, Isabel Cristina; Pérez, Hiram","The role of non-covalent interactions in some 2-trifluoromethylchromones in the solid state.","New J. Chem.","2017","41","23","14659","14674","10.1039/C7NJ00481H","","","1.5418","CuKα","","0.0629","0.0456","","","0.1256","0.1447","","","","","","1.04","","","","has coordinates","301851","2025-08-21","20:32:56",""
"7056717","4.7865","0.0002","15.3885","0.0006","13.7073","0.0005","90","","93.722","0.003","90","","1007.51","0.07","297","2","297","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-trifluoromethylchromone-3-oxydryl-methyl","","- C11 H7 F3 O3 -","- C11 H7 F3 O3 -","- C44 H28 F12 O12 -","4","1","","Alcivar León, Christian David; Echeverría, Gustavo A.; Piro, Oscar E.; Ulic, Sonia E.; Jios, Jorge Luis; Pereanez, Jaime A.; Henao Castañeda, Isabel Cristina; Pérez, Hiram","The role of non-covalent interactions in some 2-trifluoromethylchromones in the solid state.","New J. Chem.","2017","41","23","14659","14674","10.1039/C7NJ00481H","","x-ray","1.54184","CuKα","","0.0677","0.0609","","","0.167","0.1759","","","","","","1.067","","","","has coordinates,has disorder","301851","2025-08-21","20:32:56",""
"7056718","7.5438","0.0005","20.2116","0.0011","7.7385","0.0006","90","","110.717","0.009","90","","1103.61","0.14","297","2","297","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","2-trifluoromethylchromone-3-nitro-methyl","","- C11 H6 F3 N O4 -","- C11 H6 F3 N O4 -","- C44 H24 F12 N4 O16 -","4","1","","Alcivar León, Christian David; Echeverría, Gustavo A.; Piro, Oscar E.; Ulic, Sonia E.; Jios, Jorge Luis; Pereanez, Jaime A.; Henao Castañeda, Isabel Cristina; Pérez, Hiram","The role of non-covalent interactions in some 2-trifluoromethylchromones in the solid state.","New J. Chem.","2017","41","23","14659","14674","10.1039/C7NJ00481H","","","1.5418","CuKα","","0.1144","0.0757","","","0.2382","0.333","","","","","","1.133","","","","has coordinates","301851","2025-08-21","20:32:56",""
"7056719","30.875","0.006","16.909","0.003","14.799","0.003","90","","116.37","0.03","90","","6922","3","298","","298","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C29 H27 Co F12 N4 O4 P2 -","- C29 H27 Co F12 N4 O4 P2 -","- C232 H216 Co8 F96 N32 O32 P16 -","8","1","","Lanznaster, Mauricio; da Silva, Aline Farias Moreira; Vital, Renata de Uzeda; Martins, Daniela de Luna; Rocha, David Rodrigues; Ferreira, Glaucio Braga; Camargos-Resende, Jackson A. L.","Investigation of cobalt(III)-tpa complexes as potential bioreductively activated carriers for naphthoquinone-based drugs","New J. Chem.","2017","41","24","14960","14965","10.1039/C7NJ03072J","","","0.71073","MoKα","","0.0966","0.0622","","","0.1632","0.1969","","","","","","1.035","","","","has coordinates","301442","2025-08-04","07:34:02",""
"7056720","10.3773","0.0003","8.6965","0.0003","33.1936","0.0011","90","","93.449","0.003","90","","2990.17","0.17","150","0.1","150.15","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C29 H27 B Cl Co F4 N4 O5 -","- C29 H27.004 B Cl Co F4 N4 O5.002 -","- C116 H108.016 B4 Cl4 Co4 F16 N16 O20.008 -","4","1","","Lanznaster, Mauricio; da Silva, Aline Farias Moreira; Vital, Renata de Uzeda; Martins, Daniela de Luna; Rocha, David Rodrigues; Ferreira, Glaucio Braga; Camargos-Resende, Jackson A. L.","Investigation of cobalt(III)-tpa complexes as potential bioreductively activated carriers for naphthoquinone-based drugs","New J. Chem.","2017","41","24","14960","14965","10.1039/C7NJ03072J","","","0.71073","MoKα","","0.0761","0.0595","","","0.1579","0.1789","","","","","","1.123","","","","has coordinates,has disorder","301442","2025-08-04","07:34:03",""
"7056721","10.23899","0.00016","8.76417","0.00012","33.1396","0.0004","90","","93.9895","0.0013","90","","2966.62","0.07","149.8","0.2","150.15","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C29 H27 B Br Co F4 N4 O5 -","- C29 H27.002 B Br Co F4 N4 O5.001 -","- C116 H108.008 B4 Br4 Co4 F16 N16 O20.004 -","4","1","","Lanznaster, Mauricio; da Silva, Aline Farias Moreira; Vital, Renata de Uzeda; Martins, Daniela de Luna; Rocha, David Rodrigues; Ferreira, Glaucio Braga; Camargos-Resende, Jackson A. L.","Investigation of cobalt(III)-tpa complexes as potential bioreductively activated carriers for naphthoquinone-based drugs","New J. Chem.","2017","41","24","14960","14965","10.1039/C7NJ03072J","","","0.71073","MoKα","","0.0486","0.0427","","","0.1032","0.1058","","","","","","1.147","","","","has coordinates,has disorder","301442","2025-08-04","07:34:03",""
"7056722","10.7","0.002","14.421","0.003","14.701","0.003","90","","101.754","0.003","90","","2220.9","0.8","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","PM3FBP-PTSC","1-phenyl-3-methyl-4-(3-fluorobenzal)-5-hydroxypyrazole 4-phenylthiosemicarbazone","","- C24 H20 F N5 O S -","- C24 H20 F N5 O S -","- C96 H80 F4 N20 O4 S4 -","4","1","","Che, Yuanyuan; Liu, Lang; Tang, Yakun; Qiao, Yuqian; Zhao, Xianmei; Gao, Shasha; Ding, Sheng; Jia, Dianzeng","Solid-state photochromic behavior of pyrazolone 4-phenylthiosemicarbazone","New Journal of Chemistry","2017","41","24","15229","15235","10.1039/C7NJ03406G","","","0.71073","MoKα","","0.117","0.0677","","","0.175","0.2045","","","","","","1.084","","","","has coordinates","301851","2025-08-21","20:32:56",""
"7056723","10.0427","0.0003","11.1946","0.0003","21.0233","0.0004","96.2914","0.0018","92.4769","0.0018","109.769","0.002","2202.67","0.1","120","","120","","","","101","","","","","3","P -1","-P 1","2","","","","- C53 H56 O6.45 -","- C53 H56 O6.451 -","- C106 H112 O12.902 -","2","1","","Slavik, Petr; Dvorakova, Hana; Eigner, Vaclav; Lhotak, Pavel","meta-Bridged Calix[4]arenes Prepared by Friedel–Crafts Alkylation","New Journal of Chemistry","2017","41","23","14738","14745","10.1039/C7NJ03394J","","","1.54184","CuKα","","0.0611","0.0563","","0.1678","0.1589","0.1678","","","","","","0.9371","","","","has coordinates,has disorder","301442","2025-08-04","07:34:03",""
"7056724","12.6881","0.0002","19.1234","0.0003","14.91023","0.00019","90","","93.081","0.0013","90","","3612.58","0.09","95","","95","","","","101","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C43 H52 O4 -","- C43 H52 O4 -","- C172 H208 O16 -","4","1","","Slavik, Petr; Dvorakova, Hana; Eigner, Vaclav; Lhotak, Pavel","meta-Bridged Calix[4]arenes Prepared by Friedel–Crafts Alkylation","New Journal of Chemistry","2017","41","23","14738","14745","10.1039/C7NJ03394J","","","1.54184","CuKα","","0.0514","0.0428","","0.0825","0.0764","0.0825","","","","","","0.9937","","","","has coordinates","301851","2025-08-21","20:32:56",""
"7056725","11.4179","0.0005","11.8579","0.0005","23.594","0.001","77.2299","0.0019","79.1729","0.0018","72.4389","0.0018","2944.9","0.2","180","","180","","","","101","","","","","3","P -1","-P 1","2","","","","- C67 H70 O6 -","- C67 H70 O6 -","- C134 H140 O12 -","2","1","","Slavik, Petr; Dvorakova, Hana; Eigner, Vaclav; Lhotak, Pavel","meta-Bridged Calix[4]arenes Prepared by Friedel–Crafts Alkylation","New Journal of Chemistry","2017","41","23","14738","14745","10.1039/C7NJ03394J","","","1.54178","CuKα","","0.0867","0.0785","","0.213","0.2057","0.2127","","","","","","1.0105","","","","has coordinates,has disorder","301851","2025-08-21","20:32:56",""
"7056726","10.0361","0.0016","10.3968","0.0017","11.9591","0.0019","81.792","0.003","67.635","0.003","77.335","0.003","1123.5","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H18.5 Co N5.5 O6 -","- C21 H13 Co N5 O4 -","- C42 H26 Co2 N10 O8 -","2","1","","Xu, Zhouqing; Li, Huijun; Li, Qingqing; He, Yaling; Tang, Qingjie","Two novel porous MOFs with square-shaped cavities for removing toxic dyes: adsorption or degradation?","New Journal of Chemistry","2017","41","24","15204","15209","10.1039/C7NJ02904G","","","0.71073","MoKα","","0.0631","0.0418","","","0.0756","0.0814","","","","","","1.048","","","","has coordinates","301442","2025-08-04","07:34:03",""
"7056727","10.108","0.003","36.981","0.01","15.237","0.004","90","","100.592","0.005","90","","5599","3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C52 H60 Mn2 N12 O16 -","- C42 H28 Mn2 N10 O9 -","- C168 H112 Mn8 N40 O36 -","4","1","","Xu, Zhouqing; Li, Huijun; Li, Qingqing; He, Yaling; Tang, Qingjie","Two novel porous MOFs with square-shaped cavities for removing toxic dyes: adsorption or degradation?","New Journal of Chemistry","2017","41","24","15204","15209","10.1039/C7NJ02904G","","","0.71073","MoKα","","0.0661","0.0405","","","0.0912","0.0988","","","","","","1.021","","","","has coordinates","301442","2025-08-04","07:34:03",""
"7056728","27.649","0.003","7.2495","0.0009","21.908","0.002","90","","90","","90","","4391.3","0.8","170","2","170","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C26 H28 N2 O3 Si -","- C26 H27.5 N2 O3 Si -","- C208 H220 N16 O24 Si8 -","8","2","","Singh, Gurjaspreet; Singh, Akshpreet; Singh, Jasbhinder; Aulakh, Darpandeep; Wriedt, Mario; Ruiz , Cristóbal Espinosa; Esteban, Maria A.; Sehgal, Rakesh; Goyal, Kapil; Sinha, Shweta","First synthesis of pyrene functionalized silatranes for mechanistic insight into their potential anti-parasitic and anti-oxidation activities","New Journal of Chemistry","2017","41","24","15165","15172","10.1039/C7NJ03338A","","","0.71073","MoKα","","0.2031","0.05","","","0.072","0.096","","","","","","0.748","","","","has coordinates","301442","2025-08-04","07:34:03",""
"7056729","32.089","0.005","10.5036","0.0015","13.786","0.002","90","","90","","90","","4646.6","1.2","100","2","100","2","","","101.3","","","","synthesis","6","P c a 21","P 2c -2ac","29","","","","- C52 H58 N6 O2 Pt S2 -","- C52 H58 N6 O2 Pt S2 -","- C208 H232 N24 O8 Pt4 S8 -","4","1","","Koch, Klaus R.; Kotze, Izak; smith, vincent; Kangara, Edmore F.","Rare, Hypodentate L-κS Coordination Mode of N,N-dialkyl-N’-aroylthioureas leads to Unprecedented Mixed-ligand [Pt(phen)(L-κS)2] Complexes..","New Journal of Chemistry","2017","41","24","14995","15002","10.1039/C7NJ03178E","","x-ray","0.71073","MoKα","","0.0267","0.0222","","","0.0439","0.0455","","","","","","0.845","","","","has coordinates","301442","2025-08-04","07:34:04",""
"7056730","13.203","0.006","14.849","0.007","19.502","0.009","102.474","0.005","108.801","0.005","94.644","0.005","3487","3","100","2","100","2","","","101.3","","","","synthesis","6","P -1","-P 1","2","","","","- C72 H78 N12 O6 Pt2 S4 -","- C72 H78 N12 O6 Pt2 S4 -","- C144 H156 N24 O12 Pt4 S8 -","2","1","","Koch, Klaus R.; Kotze, Izak; smith, vincent; Kangara, Edmore F.","Rare, Hypodentate L-κS Coordination Mode of N,N-dialkyl-N’-aroylthioureas leads to Unprecedented Mixed-ligand [Pt(phen)(L-κS)2] Complexes..","New Journal of Chemistry","2017","41","24","14995","15002","10.1039/C7NJ03178E","","x-ray","0.71073","MoKα","","0.0709","0.0431","","","0.0903","0.1012","","","","","","0.988","","","","has coordinates,has disorder","301442","2025-08-04","07:34:04",""
"7056731","32.476","0.008","11.761","0.002","16.74","0.003","90","","112.62","0.03","90","","5902","2","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C58 H58 Cd3 N8 O15 -","- C58 H58 Cd3 N8 O15 -","- C232 H232 Cd12 N32 O60 -","4","0.5","","Rouhani, Farzaneh; Morsali, Ali","Highly Effective Brønsted Base/Lewis Acid Cooperative Catalysis: A new Cd metal-organic framework for synthesis of Hantzsch 1, 4-DHPs at ambient temperature","New Journal of Chemistry","2017","41","24","15475","15484","10.1039/C7NJ01509G","","","0.71073","MoKα","","0.166","0.0796","","","0.1367","0.1591","","","","","","0.894","","","","has coordinates","301442","2025-08-04","07:34:04",""
"7056732","21.311","0.004","12.257","0.003","16.659","0.003","90","","128.4","0.03","90","","3410.2","1.9","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C20 H18 N2 Pt -","- C20 H18 N2 Pt -","- C160 H144 N16 Pt8 -","8","1","","Shahsavari, Hamid R.; Babadi Aghakhanpour, Reza; Hossein-Abadi, Mojdeh; Golbon Haghighi, Mohsen; Notash, Behrouz; fereidoonnezhad, Masood","A New Approach to the Effects of Isocyanide (CN-R) Ligands on the Luminescence Properties of Cycloplatinated(II) Complexes","New Journal of Chemistry","2017","41","24","15347","15356","10.1039/C7NJ03110F","","","0.71073","MoKα","","0.0736","0.0375","","","0.0616","0.0678","","","","","","0.878","","","","has coordinates","301442","2025-08-04","07:34:04",""
"7056733","9.3461","0.0019","10.106","0.002","17.704","0.004","90","","90","","90","","1672.2","0.6","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H20 N2 Pt -","- C17 H20 N2 Pt -","- C68 H80 N8 Pt4 -","4","1","","Shahsavari, Hamid R.; Babadi Aghakhanpour, Reza; Hossein-Abadi, Mojdeh; Golbon Haghighi, Mohsen; Notash, Behrouz; fereidoonnezhad, Masood","A New Approach to the Effects of Isocyanide (CN-R) Ligands on the Luminescence Properties of Cycloplatinated(II) Complexes","New Journal of Chemistry","2017","41","24","15347","15356","10.1039/C7NJ03110F","","","0.71073","MoKα","","0.0633","0.0496","","","0.1102","0.1141","","","","","","0.949","","","","has coordinates","301442","2025-08-04","07:34:04",""
"7056734","10.399","0.002","10.919","0.002","11.408","0.002","80.9","0.03","72.01","0.03","68.39","0.03","1144","0.5","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C31 H19 N2 O2 -","- C31 H19 N2 O2 -","- C62 H38 N4 O4 -","2","1","","Zhao, Kun; Wang, Huimin; Sun, Hao; Tian, Wen; Yang, Shanguang; Liu, Jingjing; Peng, Jing; Wang, Mingliang","Studying the fluorescence conversion in organic charge transfer cocrystals of chalcone derivatives and TCNB","New Journal of Chemistry","2017","41","23","14610","14617","10.1039/C7NJ03127K","","","0.71073","MoKα","","0.1425","0.066","","","0.1528","0.1841","","","","","","0.998","","","","has coordinates","301851","2025-08-21","20:32:56",""
"7056735","11.815","0.002","10.38","0.002","17.887","0.004","90","","99.44","0.03","90","","2163.9","0.8","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H17 N2 O -","- C30 H17 N2 O -","- C120 H68 N8 O4 -","4","1","","Zhao, Kun; Wang, Huimin; Sun, Hao; Tian, Wen; Yang, Shanguang; Liu, Jingjing; Peng, Jing; Wang, Mingliang","Studying the fluorescence conversion in organic charge transfer cocrystals of chalcone derivatives and TCNB","New Journal of Chemistry","2017","41","23","14610","14617","10.1039/C7NJ03127K","","","0.71073","MoKα","","0.2","0.0819","","","0.1596","0.2059","","","","","","1.006","","","","has coordinates","301851","2025-08-21","20:32:56",""
"7056736","9.945","0.002","10.712","0.002","13.518","0.003","68.19","0.03","81.65","0.03","75.2","0.03","1290.6","0.6","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C35 H18 N4 O -","- C35 H18 N4 O -","- C70 H36 N8 O2 -","2","1","","Zhao, Kun; Wang, Huimin; Sun, Hao; Tian, Wen; Yang, Shanguang; Liu, Jingjing; Peng, Jing; Wang, Mingliang","Studying the fluorescence conversion in organic charge transfer cocrystals of chalcone derivatives and TCNB","New Journal of Chemistry","2017","41","23","14610","14617","10.1039/C7NJ03127K","","","0.71073","MoKα","","0.1769","0.0737","","","0.1084","0.1326","","","","","","0.994","","","","has coordinates","301851","2025-08-21","20:32:56",""
"7056740","6.6946","0.0003","10.7516","0.0005","11.4183","0.0005","90","","95.446","0.004","90","","818.15","0.06","120","0.1","120","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H28 Ga2 N2 O2 -","- C10 H28 Ga2 N2 O2 -","- C20 H56 Ga4 N4 O4 -","2","0.5","","Cybularczyk, Martyna; Zaremba, Rafał; Hurko, Aleksander; Plichta, Andrzej Tadeusz; Dranka, Maciej; Horeglad, Paweł","Dialkylgallium alkoxides – a tool for facile and stereoselective synthesis of PLA-drug conjugates","New Journal of Chemistry","2017","41","24","14851","14854","10.1039/C7NJ03089D","","x-ray","0.71073","MoKα","","0.0419","0.0356","","","0.0912","0.0984","","","","","","1.147","","","","has coordinates,has disorder","301442","2025-08-04","07:34:04",""
"7056741","21.4049","0.0007","8.2553","0.0003","18.0932","0.0005","90","","100.559","0.003","90","","3143","0.18","293","1","293","1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H48 Ga2 N2 O4 -","- C28 H48 Ga2 N2 O4 -","- C112 H192 Ga8 N8 O16 -","4","0.5","","Cybularczyk, Martyna; Zaremba, Rafał; Hurko, Aleksander; Plichta, Andrzej Tadeusz; Dranka, Maciej; Horeglad, Paweł","Dialkylgallium alkoxides – a tool for facile and stereoselective synthesis of PLA-drug conjugates","New Journal of Chemistry","2017","41","24","14851","14854","10.1039/C7NJ03089D","","x-ray","0.71073","MoKα","","0.0269","0.0221","","","0.0584","0.062","","","","","","1.063","","","","has coordinates","301442","2025-08-04","07:34:04",""
"7056742","6.4969","0.0002","13.5023","0.0004","11.1683","0.0004","90","","95.288","0.003","90","","975.55","0.05","120","0.1","120","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H36 Ga2 N2 O2 -","- C14 H36 Ga2 N2 O2 -","- C28 H72 Ga4 N4 O4 -","2","0.5","","Cybularczyk, Martyna; Zaremba, Rafał; Hurko, Aleksander; Plichta, Andrzej Tadeusz; Dranka, Maciej; Horeglad, Paweł","Dialkylgallium alkoxides – a tool for facile and stereoselective synthesis of PLA-drug conjugates","New Journal of Chemistry","2017","41","24","14851","14854","10.1039/C7NJ03089D","","x-ray","0.71073","MoKα","","0.0244","0.0206","","","0.0508","0.0526","","","","","","1.071","","","","has coordinates","301442","2025-08-04","07:34:04",""
"7056743","8.109","0.004","14.882","0.006","7.304","0.004","90","","90","","90","","881.4","0.7","296","2","296","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C4 H6 N6 Ni S2 -","- C4 H6 N6 Ni S2 -","- C16 H24 N24 Ni4 S8 -","4","0.5","","Bharty, M. K.; Paswan, Santosh; Bharati, P.; Sonkar, Piyush Kumar; Ganesan, Vellaichamy; Butcher, Raymond J.","Square planar Ni(II) complexes of acetone N4-phenyl-thiosemicarbazone and in situ generated benzoyl thiosemicarbazide ligand: Synthesis, spectral and structural characterizations, thermal behaviour and electrochemical studies","New Journal of Chemistry","2017","41","24","15466","15474","10.1039/C7NJ01030C","","","0.71073","MoKα","","0.0802","0.0435","","","0.0753","0.0864","","","","","","1.117","","","","has coordinates","301442","2025-08-04","07:34:04",""
"7056744","23.403","0.002","7.6265","0.0005","12.2279","0.0009","90","","96.569","0.007","90","","2168.1","0.3","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H24 N6 Ni S2 -","- C20 H24 N6 Ni S2 -","- C80 H96 N24 Ni4 S8 -","4","0.5","","Bharty, M. K.; Paswan, Santosh; Bharati, P.; Sonkar, Piyush Kumar; Ganesan, Vellaichamy; Butcher, Raymond J.","Square planar Ni(II) complexes of acetone N4-phenyl-thiosemicarbazone and in situ generated benzoyl thiosemicarbazide ligand: Synthesis, spectral and structural characterizations, thermal behaviour and electrochemical studies","New Journal of Chemistry","2017","41","24","15466","15474","10.1039/C7NJ01030C","","","0.71073","MoKα","","0.0953","0.0633","","","0.1522","0.1837","","","","","","1.083","","","","has coordinates","301442","2025-08-04","07:34:05",""
"7056749","14.7935","0.0005","14.7935","0.0005","42.5752","0.0016","90","","90","","120","","8069.2","0.5","301","2","301","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C60 H58 F6 N7 P -","- C60 H58 F6.006 N7 P -","- C360 H348 F36.036 N42 P6 -","6","0.333333","","Jonah, Tosin M.; Mathivathanan, Logesh; Morozov, Alexander N.; Mebel, Alexander M.; Raptis, Raphael G.; Kavallieratos, Konstantinos","Remarkably selective NH4+ binding and fluorescence sensing by tripodal tris(pyrazolyl) receptors derived from 1,3,5-triethylbenzene: structural and theoretical insights on the role of ion pairing","New Journal of Chemistry","2017","41","24","14835","14838","10.1039/C7NJ03213G","","","0.71073","MoKα","","0.1473","0.082","","","0.1814","0.212","","","","","","1.027","","","","has coordinates,has disorder","301442","2025-08-04","07:34:05",""
"7056750","10.5434","0.0004","12.4141","0.0005","19.6118","0.0008","94.867","0.001","102.526","0.001","106.638","0.001","2371.1","0.16","297","2","297.01","","","","","","","","","3","P -1","-P 1","2","","","","- C60 H54 N6 -","- C60 H54 N6 -","- C120 H108 N12 -","2","1","","Jonah, Tosin M.; Mathivathanan, Logesh; Morozov, Alexander N.; Mebel, Alexander M.; Raptis, Raphael G.; Kavallieratos, Konstantinos","Remarkably selective NH4+ binding and fluorescence sensing by tripodal tris(pyrazolyl) receptors derived from 1,3,5-triethylbenzene: structural and theoretical insights on the role of ion pairing","New Journal of Chemistry","2017","41","24","14835","14838","10.1039/C7NJ03213G","","","0.71073","MoKα","","0.1758","0.0702","","","0.1483","0.1884","","","","","","1.007","","","","has coordinates,has disorder","301851","2025-08-21","20:32:56",""
"7059091","7.5472","0.0014","7.8647","0.0015","11.259","0.002","77.095","0.003","84.024","0.003","79.049","0.003","638.2","0.2","296","2","296.15","","","","","","","","","4","P -1","-P 1","2","","2,6-dibromo-9-selenabicyclo[3.3.1]nonane dibromine","","- C8 H12 Br4 Se -","- C8 H12 Br4 Se -","- C16 H24 Br8 Se2 -","2","1","","Torubaev, Yury V.; Skabitskiy, Ivan V.; Pavlova, Alina V.; Pasynskii, Alexander A.","First structural evidence of a Se–Br–Br halogen-bonded molecular complex","New Journal of Chemistry","2017","41","9","3606","","10.1039/C6NJ04096A","","","0.71073","MoKα","","0.1059","0.0843","","","0.2644","0.2999","","","","","","1.2306","","","","has coordinates","301851","2025-08-21","20:33:09",""
"7059092","7.66","0.003","11.291","0.004","13.427","0.005","90","","91.695","0.007","90","","1160.8","0.8","150","","150","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(2,6-Dibromo-9-selenabicyclo[3.3.1]nonan-9-yl)-dibromo-selenium","","- C16 H24 Br6 Se3 -","- C16 H24 Br6 Se3 -","- C32 H48 Br12 Se6 -","2","0.5","","Torubaev, Yury V.; Skabitskiy, Ivan V.; Pavlova, Alina V.; Pasynskii, Alexander A.","First structural evidence of a Se‒Br‒Br halogen-bonded molecular complex","New Journal of Chemistry","2017","41","9","3606","","10.1039/C6NJ04096A","","","0.71073","MoKα","","0.105","0.054","","","0.0966","0.1115","","","","","","0.9052","","","","has coordinates","234775","2020-10-21","18:00:00",""
"7059093","13.3579","0.0007","10.2925","0.0005","7.8592","0.0004","90","","96.667","0.001","90","","1073.22","0.09","143","2","143.15","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","2,6-diiodo-9-selenabicyclo[3.3.1]nonane","","- C8 H12 I2 Se -","- C8 H12 I2 Se -","- C32 H48 I8 Se4 -","4","0.5","","Torubaev, Yury V.; Skabitskiy, Ivan V.; Pavlova, Alina V.; Pasynskii, Alexander A.","First structural evidence of a Se–Br–Br halogen-bonded molecular complex","New Journal of Chemistry","2017","41","9","3606","","10.1039/C6NJ04096A","","","0.71073","MoKα","","0.0197","0.0186","","","0.0464","0.0469","","","","","","1.0418","","","","has coordinates","301851","2025-08-21","20:33:09",""
"7059094","7.503","0.003","10.107","0.004","18.967","0.007","90","","99.587","0.005","90","","1418.2","1","296","2","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2,6-dibromo-9-selenabicyclo[3.3.1]nonane diiodine","","- C8 H12 Br2 I2 Se -","- C8 H12 Br2 I2 Se -","- C32 H48 Br8 I8 Se4 -","4","1","","Torubaev, Yury V.; Skabitskiy, Ivan V.; Pavlova, Alina V.; Pasynskii, Alexander A.","First structural evidence of a Se–Br–Br halogen-bonded molecular complex","New Journal of Chemistry","2017","41","9","3606","","10.1039/C6NJ04096A","","","0.71073","MoKα","","0.047","0.031","","","0.0675","0.0745","","","","","","1.01","","","","has coordinates","301851","2025-08-21","20:33:09",""
"7059095","16.44","0.002","14.832","0.002","13.006","0.0019","90","","92.048","0.002","90","","3169.3","0.7","296","2","296.15","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","?2,6-dibromo-9-selenabicyclo[3.3.1]nonanebromide pentabromide","","- C8 H12 Br6.5 Se -","- C8 H12 Br6.5 Se -","- C64 H96 Br52 Se8 -","8","1","","Torubaev, Yury V.; Skabitskiy, Ivan V.; Pavlova, Alina V.; Pasynskii, Alexander A.","First structural evidence of a Se–Br–Br halogen-bonded molecular complex","New Journal of Chemistry","2017","41","9","3606","","10.1039/C6NJ04096A","","","0.71073","MoKα","","0.073","0.0374","","","0.0716","0.0825","","","","","","0.991","","","","has coordinates","301851","2025-08-21","20:33:09",""
"7059096","7.7674","0.0008","10.2154","0.001","18.8296","0.0019","90","","101.236","0.002","90","","1465.4","0.3","296","2","296.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2,6-diiodo-9-selenabicyclo[3.3.1]nonane diiodine ?","","- C8 H12 I4 Se -","- C8 H12 I4 Se -","- C32 H48 I16 Se4 -","4","1","","Torubaev, Yury V.; Skabitskiy, Ivan V.; Pavlova, Alina V.; Pasynskii, Alexander A.","First structural evidence of a Se–Br–Br halogen-bonded molecular complex","New Journal of Chemistry","2017","41","9","3606","","10.1039/C6NJ04096A","","","0.71073","MoKα","","0.041","0.0271","","","0.0475","0.0512","","","","","","1.007","","","","has coordinates","301851","2025-08-21","20:33:09",""
"7059097","9.6743","0.0003","5.6824","0.0002","30.9646","0.0009","90","","91.293","0.002","90","","1701.79","0.09","294","","294","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C40 H36 N2 Ni O7 -","- C40 H36 N2 Ni O7 -","- C80 H72 N4 Ni2 O14 -","2","1","","Totta, Xanthippi; Hatzidimitriou, Antonios G.; Papadopoulos, Athanasios N.; Psomas, George","Nickel(ii)–naproxen mixed-ligand complexes: synthesis, structure, antioxidant activity and interaction with albumins and calf-thymus DNA","New Journal of Chemistry","2017","41","11","4478","","10.1039/C7NJ00257B","","x-ray","0.71073","MoKα","","0.0468","0.0349","","0.0787","0.0734","0.0734","","","","","","1.0736","","","","has coordinates","301851","2025-08-21","20:33:09",""
"7059098","9.226","0.0007","5.9603","0.0005","30.784","0.003","90","","91.522","0.005","90","","1692.2","0.3","295","","295","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C39 H38 N2 Ni O7 -","- C39 H38 N2 Ni O7 -","- C78 H76 N4 Ni2 O14 -","2","1","","Totta, Xanthippi; Hatzidimitriou, Antonios G.; Papadopoulos, Athanasios N.; Psomas, George","Nickel(ii)–naproxen mixed-ligand complexes: synthesis, structure, antioxidant activity and interaction with albumins and calf-thymus DNA","New Journal of Chemistry","2017","41","11","4478","","10.1039/C7NJ00257B","","x-ray","0.71073","MoKα","","0.1366","0.0588","","0.0866","0.0717","0.0717","","","","","","0.9916","","","","has coordinates","301851","2025-08-21","20:33:09",""
"7059099","11.885","0.003","11.937","0.003","12.243","0.003","113.592","0.003","107.578","0.003","91.012","0.003","1498.2","0.6","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C52 H80 Cu4 N12 O14 -","- C52 H80 Cu4 N12 O14 -","- C52 H80 Cu4 N12 O14 -","1","0.5","","Mandal, Leena; Mandal, Shuvankar; Mohanta, Sasankasekhar","Syntheses, crystal structures, magnetochemistry and catechol oxidase activity of a tetracopper(ii) compound and a new type of dicopper(ii)-based 1D coordination polymer","New Journal of Chemistry","2017","41","11","4689","","10.1039/C7NJ00286F","","","0.71073","MoKα","","0.0859","0.0505","","","0.128","0.1492","","","","","","0.964","","","","has coordinates","301851","2025-08-21","20:33:09",""
"7059100","17.743","0.002","22.098","0.003","7.8443","0.001","90","","95.24","0.002","90","","3062.8","0.7","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H37 Cu2 N13 O3 -","- C24 H37 Cu2 N13 O3 -","- C96 H148 Cu8 N52 O12 -","4","1","","Mandal, Leena; Mandal, Shuvankar; Mohanta, Sasankasekhar","Syntheses, crystal structures, magnetochemistry and catechol oxidase activity of a tetracopper(ii) compound and a new type of dicopper(ii)-based 1D coordination polymer","New Journal of Chemistry","2017","41","11","4689","","10.1039/C7NJ00286F","","","0.71073","MoKα","","0.0527","0.0362","","","0.1006","0.1102","","","","","","1.004","","","","has coordinates","235700","2020-10-21","18:00:00",""
"7059101","7.795","0.0007","8.6094","0.0009","9.4837","0.0009","99.166","0.008","91.628","0.008","114.355","0.009","569.27","0.11","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C5 H14 Cl2 N2 O2 Pt S -","- C5 H14 Cl2 N2 O2 Pt S -","- C10 H28 Cl4 N4 O4 Pt2 S2 -","2","1","","Bolotin, Dmitrii S.; Demakova, Marina Ya.; Legin, Anton A.; Suslonov, Vitaliy V.; Nazarov, Alexey A.; Jakupec, Michael A.; Keppler, Bernhard K.; Kukushkin, Vadim Yu.","Amidoxime platinum(ii) complexes: pH-dependent highly selective generation and cytotoxic activity","New Journal of Chemistry","2017","41","14","6840","","10.1039/C7NJ00982H","","","0.71073","MoKα","","0.0342","0.0311","","","0.0657","0.0679","","","","","","1.038","","","","has coordinates,has disorder","235707","2020-10-21","18:00:00",""
"7059102","7.1487","0.0004","8.918","0.0005","13.5059","0.0009","82.385","0.005","87.679","0.005","66.909","0.006","785","0.09","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C10 H13 Cl2 F3 N2 O2 Pt S -","- C10 H13 Cl2 F3 N2 O2 Pt S -","- C20 H26 Cl4 F6 N4 O4 Pt2 S2 -","2","1","","Bolotin, Dmitrii S.; Demakova, Marina Ya.; Legin, Anton A.; Suslonov, Vitaliy V.; Nazarov, Alexey A.; Jakupec, Michael A.; Keppler, Bernhard K.; Kukushkin, Vadim Yu.","Amidoxime platinum(ii) complexes: pH-dependent highly selective generation and cytotoxic activity","New Journal of Chemistry","2017","41","14","6840","","10.1039/C7NJ00982H","","","0.71073","MoKα","","0.027","0.0222","","","0.045","0.0461","","","","","","1.025","","","","has coordinates","235707","2020-10-21","18:00:00",""
"7059103","7.0238","0.0003","9.0811","0.0004","12.9083","0.0003","91.147","0.003","94.584","0.003","111.834","0.004","760.73","0.05","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C9 H13 Cl2 N3 O4 Pt S -","- C9 H13 Cl2 N3 O4 Pt S -","- C18 H26 Cl4 N6 O8 Pt2 S2 -","2","1","","Bolotin, Dmitrii S.; Demakova, Marina Ya.; Legin, Anton A.; Suslonov, Vitaliy V.; Nazarov, Alexey A.; Jakupec, Michael A.; Keppler, Bernhard K.; Kukushkin, Vadim Yu.","Amidoxime platinum(ii) complexes: pH-dependent highly selective generation and cytotoxic activity","New Journal of Chemistry","2017","41","14","6840","","10.1039/C7NJ00982H","","","0.71073","MoKα","","0.0224","0.0209","","","0.0439","0.0445","","","","","","1.058","","","","has coordinates","235707","2020-10-21","18:00:00",""
"7059104","9.325","0.0008","18.8767","0.0015","17.497","0.002","90","","90","","90","","3079.9","0.5","100","2","100","2","","","","","","","","6","C m c e","-C 2ac 2","64","","","","- C9 H22 N2 O3 Pt S2 -","- C9 H22 N2 O3 Pt S2 -","- C72 H176 N16 O24 Pt8 S16 -","8","0.5","","Bolotin, Dmitrii S.; Demakova, Marina Ya.; Legin, Anton A.; Suslonov, Vitaliy V.; Nazarov, Alexey A.; Jakupec, Michael A.; Keppler, Bernhard K.; Kukushkin, Vadim Yu.","Amidoxime platinum(ii) complexes: pH-dependent highly selective generation and cytotoxic activity","New Journal of Chemistry","2017","41","14","6840","","10.1039/C7NJ00982H","","","0.71073","MoKα","","0.0282","0.0245","","","0.0598","0.0616","","","","","","1.124","","","","has coordinates","235707","2020-10-21","18:00:00",""
"7059105","8.0458","0.0006","11.8336","0.0007","12.242","0.0015","90","","112.759","0.008","90","","1074.82","0.18","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C4 H12 Cl2 N2 O2 Pt S -","- C4 H12 Cl2 N2 O2 Pt S -","- C16 H48 Cl8 N8 O8 Pt4 S4 -","4","1","","Bolotin, Dmitrii S.; Demakova, Marina Ya.; Legin, Anton A.; Suslonov, Vitaliy V.; Nazarov, Alexey A.; Jakupec, Michael A.; Keppler, Bernhard K.; Kukushkin, Vadim Yu.","Amidoxime platinum(ii) complexes: pH-dependent highly selective generation and cytotoxic activity","New Journal of Chemistry","2017","41","14","6840","","10.1039/C7NJ00982H","","","0.71073","MoKα","","0.0376","0.0273","","","0.0505","0.0546","","","","","","1.018","","","","has coordinates","235707","2020-10-21","18:00:00",""
"7059106","8.7261","0.0002","10.2167","0.0003","18.8842","0.0004","74.48","0.002","80.247","0.002","87.869","0.002","1598.67","0.07","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C11 H17 N3 O5 Pt S2 -","- C11 H17 N3 O5 Pt S2 -","- C44 H68 N12 O20 Pt4 S8 -","4","2","","Bolotin, Dmitrii S.; Demakova, Marina Ya.; Legin, Anton A.; Suslonov, Vitaliy V.; Nazarov, Alexey A.; Jakupec, Michael A.; Keppler, Bernhard K.; Kukushkin, Vadim Yu.","Amidoxime platinum(ii) complexes: pH-dependent highly selective generation and cytotoxic activity","New Journal of Chemistry","2017","41","14","6840","","10.1039/C7NJ00982H","","x-ray","1.54184","CuKα","","0.0377","0.0313","","","0.076","0.0812","","","","","","1.084","","","","has coordinates","235707","2020-10-21","18:00:00",""
"7059107","7.7751","0.0002","15.9278","0.0005","13.8379","0.0004","90","","103.11","0.003","90","","1669.02","0.09","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C10 H18 Cl2 N2 O3 Pt S -","- C10 H18 Cl2 N2 O3 Pt S -","- C40 H72 Cl8 N8 O12 Pt4 S4 -","4","1","","Bolotin, Dmitrii S.; Demakova, Marina Ya.; Legin, Anton A.; Suslonov, Vitaliy V.; Nazarov, Alexey A.; Jakupec, Michael A.; Keppler, Bernhard K.; Kukushkin, Vadim Yu.","Amidoxime platinum(ii) complexes: pH-dependent highly selective generation and cytotoxic activity","New Journal of Chemistry","2017","41","14","6840","","10.1039/C7NJ00982H","","","0.71073","MoKα","","0.0313","0.0252","","","0.0477","0.05","","","","","","1.064","","","","has coordinates","235707","2020-10-21","18:00:00",""
"7059108","6.5859","0.0002","19.2634","0.0007","12.796","0.0005","90","","116.115","0.003","90","","1457.66","0.1","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C7 H19 Cl3 N2 O2 Pt S -","- C7 H19 Cl3 N2 O2 Pt S -","- C28 H76 Cl12 N8 O8 Pt4 S4 -","4","1","","Bolotin, Dmitrii S.; Demakova, Marina Ya.; Legin, Anton A.; Suslonov, Vitaliy V.; Nazarov, Alexey A.; Jakupec, Michael A.; Keppler, Bernhard K.; Kukushkin, Vadim Yu.","Amidoxime platinum(ii) complexes: pH-dependent highly selective generation and cytotoxic activity","New Journal of Chemistry","2017","41","14","6840","","10.1039/C7NJ00982H","","","0.71073","MoKα","","0.0292","0.0234","","","0.0444","0.0462","","","","","","1.05","","","","has coordinates","235707","2020-10-21","18:00:00",""
"7059109","22.391","0.005","34.918","0.008","16.505","0.004","90","","90","","90","","12904","5","298","2","298.03","","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C32 H40 Cu N10 -","- C32 H40 Cu N10 -","- C512 H640 Cu16 N160 -","16","1","","Jana, Oishi; Mani, Ganesan","New types of Cu and Ag clusters supported by the pyrrole-based NNN-pincer type ligand","New Journal of Chemistry","2017","41","17","9361","","10.1039/C7NJ01009E","","","0.71073","MoKα","","0.0373","0.0281","","","0.0667","0.0716","","","","","","1.047","","","","has coordinates,has disorder","301851","2025-08-21","20:33:09",""
"7059110","15.1031","0.0018","17.648","0.002","13.8061","0.0016","90","","90","","90","","3679.9","0.7","100","2","100","2","","","","","","","","5","A e a 2","A 2 -2ab","41","","","","- C32 H40 Cu4 I2 N10 -","- C32 H40 Cu4 I2 N10 -","- C128 H160 Cu16 I8 N40 -","4","0.5","","Jana, Oishi; Mani, Ganesan","New types of Cu and Ag clusters supported by the pyrrole-based NNN-pincer type ligand","New Journal of Chemistry","2017","41","17","9361","","10.1039/C7NJ01009E","","","0.71073","MoKα","","0.0172","0.017","","","0.0457","0.0458","","","","","","1.071","","","","has coordinates","235710","2020-10-21","18:00:00",""
"7059111","18.092","0.005","18.092","0.005","21.761","0.008","90","","90","","90","","7123","4","100","2","100.15","","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C32 H42 Cu2 I2 N10 -","- C32 H42 Cu2 I2 N10 -","- C256 H336 Cu16 I16 N80 -","8","1","","Jana, Oishi; Mani, Ganesan","New types of Cu and Ag clusters supported by the pyrrole-based NNN-pincer type ligand","New Journal of Chemistry","2017","41","17","9361","","10.1039/C7NJ01009E","","","0.71073","MoKα","","0.0747","0.0504","","","0.141","0.1629","","","","","","1.035","","","","has coordinates","235710","2020-10-21","18:00:00",""
"7059112","23.0203","0.0008","23.0203","0.0008","16.4877","0.0012","90","","90","","120","","7566.8","0.7","299","2","299","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C48 H60 Ag3 N15 -","- C48 H60 Ag3 N15 -","- C288 H360 Ag18 N90 -","6","0.333333","","Jana, Oishi; Mani, Ganesan","New types of Cu and Ag clusters supported by the pyrrole-based NNN-pincer type ligand","New Journal of Chemistry","2017","41","17","9361","","10.1039/C7NJ01009E","","","0.71073","MoKα","","0.0827","0.0385","","","0.0575","0.0664","","","","","","0.959","","","","has coordinates","301851","2025-08-21","20:33:09",""
"7059113","12.6363","0.0014","13.8451","0.0015","14.632","0.0017","90","","101.824","0.002","90","","2505.6","0.5","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C18 H23 Ag Cl2 F3 N5 O3 S -","- C18 H23 Ag Cl2 F3 N5 O3 S -","- C72 H92 Ag4 Cl8 F12 N20 O12 S4 -","4","1","","Jana, Oishi; Mani, Ganesan","New types of Cu and Ag clusters supported by the pyrrole-based NNN-pincer type ligand","New Journal of Chemistry","2017","41","17","9361","","10.1039/C7NJ01009E","","","0.71073","MoKα","","0.0569","0.0464","","","0.1419","0.1495","","","","","","1.074","","","","has coordinates","235710","2020-10-21","18:00:00",""
"7059114","19.356","0.008","10.206","0.004","17.726","0.008","90","","93.422","0.014","90","","3495","3","100","2","100.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C32 H42 Br2 Cu2 N10 -","- C32 H42 Br2 Cu2 N10 -","- C128 H168 Br8 Cu8 N40 -","4","0.5","","Jana, Oishi; Mani, Ganesan","New types of Cu and Ag clusters supported by the pyrrole-based NNN-pincer type ligand","New Journal of Chemistry","2017","41","17","9361","","10.1039/C7NJ01009E","","","0.71073","MoKα","","0.0804","0.0448","","","0.114","0.1327","","","","","","1.032","","","","has coordinates,has disorder","235710","2020-10-21","18:00:00",""
"7059115","12.6849","0.0019","8.1184","0.0012","20.797","0.003","90","","105.296","0.003","90","","2065.8","0.5","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C3 H8 N8 O9 -","- C3 H8 N8 O9 -","- C24 H64 N64 O72 -","8","1","","Huang, Haifeng; Li, Ying; Yang, Jun; Pan, Renming; Lin, Xiangyang","Materials with good energetic properties resulting from the smart combination of nitramino and dinitromethyl group with furazan","New Journal of Chemistry","2017","41","15","7697","","10.1039/C7NJ01417A","","","0.71073","MoKα","","0.0378","0.0335","","","0.0905","0.0937","","","","","","1.011","","","","has coordinates","301851","2025-08-21","20:33:09",""
"7059116","7.588","0.002","7.666","0.002","10.104","0.003","105.941","0.006","91.695","0.006","114.65","0.005","506.6","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C3 H8 N8 O7 -","- C3 H8 N8 O7 -","- C6 H16 N16 O14 -","2","1","","Huang, Haifeng; Li, Ying; Yang, Jun; Pan, Renming; Lin, Xiangyang","Materials with good energetic properties resulting from the smart combination of nitramino and dinitromethyl group with furazan","New Journal of Chemistry","2017","41","15","7697","","10.1039/C7NJ01417A","","","0.71073","MoKα","","0.0653","0.0493","","","0.1154","0.1246","","","","","","1.074","","","","has coordinates","235714","2020-10-21","18:00:00",""
"7059117","21.595","0.006","18.986","0.006","7.676","0.002","90","","90","","90","","3147.2","1.6","293","2","293","2","","","","","","","","4","A e a 2","A 2 -2ab","41","","","","- C5 H14 N14 O7 -","- C5 H14 N14 O7 -","- C40 H112 N112 O56 -","8","1","","Huang, Haifeng; Li, Ying; Yang, Jun; Pan, Renming; Lin, Xiangyang","Materials with good energetic properties resulting from the smart combination of nitramino and dinitromethyl group with furazan","New Journal of Chemistry","2017","41","15","7697","","10.1039/C7NJ01417A","","","0.71073","MoKα","","0.0753","0.0576","","","0.1338","0.144","","","","","","1.018","","","","has coordinates","235714","2020-10-21","18:00:00",""
"7059118","7.5563","0.0003","9.6115","0.0005","23.9913","0.0011","90","","90","","90","","1742.43","0.14","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H22 Cl N O4 -","- C20 H22 Cl N O4 -","- C80 H88 Cl4 N4 O16 -","4","1","","Zhang, Yunan; Zhang, Dajun; Zhang, Yu; Liu, Lixin; Zhang, Xuesong; Zhang, Lei; Zhang, Yunjie; Chang, Liang; Fan, Qiushuang; Zhang, Yongbiao; Xi, Jiaming; Zhang, Qiang","Improving solubility and avoiding hygroscopicity of tetrahydroberberine by forming hydrochloride salts by introducing solvents: [HTHB]Cl, [HTHB]Cl·CH3OH and [HTHB]Cl·CH3COOH","New Journal of Chemistry","2017","41","22","13268","","10.1039/C7NJ02423A","","","0.71073","MoKα","","0.0496","0.0407","","","0.0884","0.0933","","","","","","1.036","","","","has coordinates","301851","2025-08-21","20:33:09",""
"7059119","35.9919","0.0019","7.463","0.0005","16.1702","0.0011","90","","90","","90","","4343.4","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H26 Cl N O6 -","- C22 H26 Cl N O6 -","- C176 H208 Cl8 N8 O48 -","8","2","","Zhang, Yunan; Zhang, Dajun; Zhang, Yu; Liu, Lixin; Zhang, Xuesong; Zhang, Lei; Zhang, Yunjie; Chang, Liang; Fan, Qiushuang; Zhang, Yongbiao; Xi, Jiaming; Zhang, Qiang","Improving solubility and avoiding hygroscopicity of tetrahydroberberine by forming hydrochloride salts by introducing solvents: [HTHB]Cl, [HTHB]Cl·CH3OH and [HTHB]Cl·CH3COOH","New Journal of Chemistry","2017","41","22","13268","","10.1039/C7NJ02423A","","","0.71073","MoKα","","0.1472","0.1427","","","0.3547","0.3563","","","","","","1.063","","","","has coordinates","301851","2025-08-21","20:33:09",""
"7059120","7.261","0.0004","15.3853","0.0008","36.6862","0.0019","90","","90","","90","","4098.3","0.4","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C21 H26 Cl N O5 -","- C21 H26 Cl N O5 -","- C168 H208 Cl8 N8 O40 -","8","1","","Zhang, Yunan; Zhang, Dajun; Zhang, Yu; Liu, Lixin; Zhang, Xuesong; Zhang, Lei; Zhang, Yunjie; Chang, Liang; Fan, Qiushuang; Zhang, Yongbiao; Xi, Jiaming; Zhang, Qiang","Improving solubility and avoiding hygroscopicity of tetrahydroberberine by forming hydrochloride salts by introducing solvents: [HTHB]Cl, [HTHB]Cl·CH3OH and [HTHB]Cl·CH3COOH","New Journal of Chemistry","2017","41","22","13268","","10.1039/C7NJ02423A","","","0.71073","MoKα","","0.089","0.0627","","","0.181","0.2256","","","","","","1.093","","","","has coordinates","301851","2025-08-21","20:33:09",""