# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2026-01-26T23:24:45+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 'ACS Omega') 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
"1558131","26.429","0.002","26.429","0.002","7.867","0.0007","90","","90","","90","","5495","0.8","110","","110","","","","","","","","","5","P 4/n :2","-P 4a","85","","","","- C28 H24 Cl N2 O5 -","- C28 H24 Cl N2 O5 -","- C224 H192 Cl8 N16 O40 -","8","1","","Duan, Wen-Di; Zhang, Yu-Fang; Hu, Youhong","NaH Promoted One-Pot Tandem Reactions of 3-(1-Alkynyl) Chromones to Form 2-Nitrogen-Substituted Xanthones","ACS Omega","2020","5","22","13454","13461","10.1021/acsomega.0c01930","","","0.71073","MoKα","","0.1561","0.0746","","","0.1877","0.2393","","","","","","1.048","","","","has coordinates","282777","2023-04-20","11:56:52",""
"4514440","7.6243","0.0015","8.044","0.0016","12.562","0.003","88.72","0.03","83.85","0.03","80.07","0.03","754.5","0.3","153","2","153.15","","","","","","","","","5","P -1","-P 1","2","","","","- C10 H12 Cl4 Mn N2 -","- C10 H12 Cl4 Mn N2 -","- C20 H24 Cl8 Mn2 N4 -","2","1","","Li, Chunyang; Bai, Xianwei; Guo, Yongchang; Zou, Bingsuo","Tunable Emission Properties of Manganese Chloride Small Single Crystals by Pyridine Incorporation.","ACS omega","2019","4","5","8039","8045","10.1021/acsomega.8b03661","","","0.71073","MoKα","","0.0477","0.043","","","0.0936","0.0972","","","","","","1.112","","","","has coordinates","219542","2020-10-21","18:00:00",""
"4514441","11.417","0.002","7.2779","0.0015","11.817","0.002","90","","102.83","0.03","90","","957.4","0.3","153","2","153.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C5 H8 Cl3 Mn N O -","- C5 H8 Cl3 Mn N O -","- C20 H32 Cl12 Mn4 N4 O4 -","4","1","","Li, Chunyang; Bai, Xianwei; Guo, Yongchang; Zou, Bingsuo","Tunable Emission Properties of Manganese Chloride Small Single Crystals by Pyridine Incorporation.","ACS omega","2019","4","5","8039","8045","10.1021/acsomega.8b03661","","","0.71073","MoKα","","0.0333","0.032","","","0.0827","0.0836","","","","","","1.157","","","","has coordinates","219544","2020-10-21","18:00:00",""
"4514932","9.5161","0.0012","30.572","0.004","13.2584","0.0012","90","","125.371","0.006","90","","3145.3","0.7","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C42 H33 N O2 -","- C42 H33 N O2 -","- C168 H132 N4 O8 -","4","1","","Yin, Ya; Chen, Zhao; Fan, Congbin; Liu, Gang; Pu, Shouzhi","1,8-Naphthalimide-Based Highly Emissive Luminophors with Various Mechanofluorochromism and Aggregation-Induced Characteristics.","ACS omega","2019","4","10","14324","14332","10.1021/acsomega.9b02110","","","0.71073","MoKα","","0.1797","0.0514","","","0.0733","0.0961","","","","","","0.892","","","","has coordinates,has disorder","301843","2025-08-21","01:58:44",""
"4514933","9.4329","0.0006","15.1034","0.001","26.0725","0.0018","88.912","0.002","88.455","0.002","89.894","0.002","3712.5","0.4","273","2","273.15","","","","","","","","","5","P -1","-P 1","2","","","","- C42 H46 N3 O5 P -","- C42 H46 N3 O5 P -","- C168 H184 N12 O20 P4 -","4","2","","Santra, Biswajit; Mandal, Debdeep; Gupta, Vivek; Kalita, Pankaj; Kumar, Vierandra; Narayanan, Ramakirushnan Suriya; Dey, Atanu; Chrysochos, Nicolas; Mohammad, Akbar; Singh, Ajeet; Zimmer, Michael; Dalapati, Rana; Biswas, Shyam; Schulzke, Carola; Chandrasekhar, Vadapalli; Scheschkewitz, David; Jana, Anukul","Structural Diversity in Supramolecular Organization of Anionic Phosphate Monoesters: Role of Cations.","ACS omega","2019","4","1","2118","2133","10.1021/acsomega.8b03192","","","0.71073","MoKα","","0.1214","0.0852","","","0.1926","0.2115","","","","","","1.074","","","","has coordinates","301843","2025-08-21","01:58:44",""
"4514934","9.6355","0.0009","10.7583","0.001","17.1049","0.0013","93.228","0.007","98.981","0.007","109.589","0.009","1638.7","0.3","120.15","","120.15","","","","","","","","","5","P -1","-P 1","2","","","","- C39 H39 N2 O4 P -","- C39 H39 N2 O4 P -","- C78 H78 N4 O8 P2 -","2","1","","Santra, Biswajit; Mandal, Debdeep; Gupta, Vivek; Kalita, Pankaj; Kumar, Vierandra; Narayanan, Ramakirushnan Suriya; Dey, Atanu; Chrysochos, Nicolas; Mohammad, Akbar; Singh, Ajeet; Zimmer, Michael; Dalapati, Rana; Biswas, Shyam; Schulzke, Carola; Chandrasekhar, Vadapalli; Scheschkewitz, David; Jana, Anukul","Structural Diversity in Supramolecular Organization of Anionic Phosphate Monoesters: Role of Cations.","ACS omega","2019","4","1","2118","2133","10.1021/acsomega.8b03192","","","0.71073","MoKα","","0.1062","0.0712","","","0.1629","0.1783","","","","","","1.037","","","","has coordinates,has disorder","301843","2025-08-21","01:58:44",""
"4514935","9.5044","0.0003","23.4379","0.0009","16.1485","0.0006","90","","103.624","0.004","90","","3496.1","0.2","120","0.1","120","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C40 H43 N2 O5 P -","- C40 H43 N2 O5 P -","- C160 H172 N8 O20 P4 -","4","1","","Santra, Biswajit; Mandal, Debdeep; Gupta, Vivek; Kalita, Pankaj; Kumar, Vierandra; Narayanan, Ramakirushnan Suriya; Dey, Atanu; Chrysochos, Nicolas; Mohammad, Akbar; Singh, Ajeet; Zimmer, Michael; Dalapati, Rana; Biswas, Shyam; Schulzke, Carola; Chandrasekhar, Vadapalli; Scheschkewitz, David; Jana, Anukul","Structural Diversity in Supramolecular Organization of Anionic Phosphate Monoesters: Role of Cations.","ACS omega","2019","4","1","2118","2133","10.1021/acsomega.8b03192","","x-ray","0.71073","MoKα","","0.0494","0.0384","","","0.0943","0.0986","","","","","","1.074","","","","has coordinates","301843","2025-08-21","01:58:44",""
"4514936","13.676","0.003","14.171","0.003","15.193","0.003","75.37","0.03","89.48","0.03","62.42","0.03","2505.2","1.3","170","2","170","2","","","","","","","","5","P -1","-P 1","2","","","","- C53 H64 N5 O4 P -","- C53 H64 N5 O4 P -","- C106 H128 N10 O8 P2 -","2","1","","Santra, Biswajit; Mandal, Debdeep; Gupta, Vivek; Kalita, Pankaj; Kumar, Vierandra; Narayanan, Ramakirushnan Suriya; Dey, Atanu; Chrysochos, Nicolas; Mohammad, Akbar; Singh, Ajeet; Zimmer, Michael; Dalapati, Rana; Biswas, Shyam; Schulzke, Carola; Chandrasekhar, Vadapalli; Scheschkewitz, David; Jana, Anukul","Structural Diversity in Supramolecular Organization of Anionic Phosphate Monoesters: Role of Cations.","ACS omega","2019","4","1","2118","2133","10.1021/acsomega.8b03192","","","0.71073","MoKα","","0.0761","0.0487","","","0.1275","0.1406","","","","","","1.038","","","","has coordinates","301843","2025-08-21","01:58:44",""
"4514937","17.3212","0.0007","9.5487","0.0005","22.725","0.001","90","","95.214","0.004","90","","3743","0.3","170","2","170","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C86 H94 N4 O8 P2 -","- C86 H94 N4 O8 P2 -","- C172 H188 N8 O16 P4 -","2","0.5","","Santra, Biswajit; Mandal, Debdeep; Gupta, Vivek; Kalita, Pankaj; Kumar, Vierandra; Narayanan, Ramakirushnan Suriya; Dey, Atanu; Chrysochos, Nicolas; Mohammad, Akbar; Singh, Ajeet; Zimmer, Michael; Dalapati, Rana; Biswas, Shyam; Schulzke, Carola; Chandrasekhar, Vadapalli; Scheschkewitz, David; Jana, Anukul","Structural Diversity in Supramolecular Organization of Anionic Phosphate Monoesters: Role of Cations.","ACS omega","2019","4","1","2118","2133","10.1021/acsomega.8b03192","","","0.71073","MoKα","","0.1343","0.0492","","","0.0922","0.1185","","","","","","0.86","","","","has coordinates","220107","2020-10-21","18:00:00",""
"4514938","9.51","0.005","13.081","0.005","17.645","0.005","94.548","0.005","104.485","0.005","111.12","0.005","1947.3","1.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C43 H50.4 N3 O7 P -","- C43 H50.4 N3 O7 P -","- C86 H100.8 N6 O14 P2 -","2","1","","Santra, Biswajit; Mandal, Debdeep; Gupta, Vivek; Kalita, Pankaj; Kumar, Vierandra; Narayanan, Ramakirushnan Suriya; Dey, Atanu; Chrysochos, Nicolas; Mohammad, Akbar; Singh, Ajeet; Zimmer, Michael; Dalapati, Rana; Biswas, Shyam; Schulzke, Carola; Chandrasekhar, Vadapalli; Scheschkewitz, David; Jana, Anukul","Structural Diversity in Supramolecular Organization of Anionic Phosphate Monoesters: Role of Cations.","ACS omega","2019","4","1","2118","2133","10.1021/acsomega.8b03192","","","0.71069","MoKα","","0.2243","0.1144","","","0.2617","0.3317","","","","","","1.031","","","","has coordinates,has disorder","220107","2020-10-21","18:00:00",""
"4514939","10.8783","0.0004","17.6185","0.0007","19.0112","0.0007","88.647","0.003","83.371","0.003","88.178","0.003","3616.8","0.2","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C82 H84 N2 O11 P2 -","- C82 H84 N2 O11 P2 -","- C164 H168 N4 O22 P4 -","2","1","","Santra, Biswajit; Mandal, Debdeep; Gupta, Vivek; Kalita, Pankaj; Kumar, Vierandra; Narayanan, Ramakirushnan Suriya; Dey, Atanu; Chrysochos, Nicolas; Mohammad, Akbar; Singh, Ajeet; Zimmer, Michael; Dalapati, Rana; Biswas, Shyam; Schulzke, Carola; Chandrasekhar, Vadapalli; Scheschkewitz, David; Jana, Anukul","Structural Diversity in Supramolecular Organization of Anionic Phosphate Monoesters: Role of Cations.","ACS omega","2019","4","1","2118","2133","10.1021/acsomega.8b03192","","","0.71073","MoKα","","0.0707","0.0562","","","0.126","0.1325","","","","","","1.074","","","","has coordinates,has disorder","301843","2025-08-21","01:58:44",""
"4514940","9.8697","0.0001","28.1617","0.0002","14.3794","0.0001","90","","100.735","0.001","90","","3926.77","0.06","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C86 H102 Mg N6 O14 P2 -","- C86 H102 Mg N6 O14 P2 -","- C172 H204 Mg2 N12 O28 P4 -","2","0.5","","Santra, Biswajit; Mandal, Debdeep; Gupta, Vivek; Kalita, Pankaj; Kumar, Vierandra; Narayanan, Ramakirushnan Suriya; Dey, Atanu; Chrysochos, Nicolas; Mohammad, Akbar; Singh, Ajeet; Zimmer, Michael; Dalapati, Rana; Biswas, Shyam; Schulzke, Carola; Chandrasekhar, Vadapalli; Scheschkewitz, David; Jana, Anukul","Structural Diversity in Supramolecular Organization of Anionic Phosphate Monoesters: Role of Cations.","ACS omega","2019","4","1","2118","2133","10.1021/acsomega.8b03192","","","1.54184","CuKα","","0.0413","0.0409","","","0.1077","0.1082","","","","","","1.044","","","","has coordinates","220107","2020-10-21","18:00:00",""
"4514941","33.4738","0.0006","10.2253","0.0002","25.1238","0.0004","90","","101.698","0.002","90","","8420.8","0.3","150.15","","150.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C82 H92 Mg N4 O12 P2 -","- C82 H92 Mg N4 O12 P2 -","- C328 H368 Mg4 N16 O48 P8 -","4","0.5","","Santra, Biswajit; Mandal, Debdeep; Gupta, Vivek; Kalita, Pankaj; Kumar, Vierandra; Narayanan, Ramakirushnan Suriya; Dey, Atanu; Chrysochos, Nicolas; Mohammad, Akbar; Singh, Ajeet; Zimmer, Michael; Dalapati, Rana; Biswas, Shyam; Schulzke, Carola; Chandrasekhar, Vadapalli; Scheschkewitz, David; Jana, Anukul","Structural Diversity in Supramolecular Organization of Anionic Phosphate Monoesters: Role of Cations.","ACS omega","2019","4","1","2118","2133","10.1021/acsomega.8b03192","","x-ray","1.54184","CuKα","","0.0603","0.0539","","","0.1493","0.1591","","","","","","1.072","","","","has coordinates","220107","2020-10-21","18:00:00",""
"4514942","11.4475","0.0006","12.6239","0.0007","17.9127","0.001","90","","90","","90","","2588.6","0.2","294","2","294","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H26 Cl2 N2 O6 -","- C25 H26 Cl2 N2 O6 -","- C100 H104 Cl8 N8 O24 -","4","1","","Ravi Kumar, G.; Ramesh, Boora; Yarlagadda, Suresh; Sridhar, Balasubramanian; Reddy, B. V. Subba","Organocatalytic Enantioselective Mannich Reaction: Direct Access to Chiral β-Amino Esters.","ACS omega","2019","4","1","2168","2177","10.1021/acsomega.8b02132","","","0.71073","MoKα","","0.0574","0.048","","","0.1146","0.1206","","","","","","0.953","","","","has coordinates","301843","2025-08-21","01:58:44",""
"4514943","13.1762","0.0002","17.925","0.0002","20.5378","0.0003","90","","90","","90","","4850.69","0.12","294","2","294","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C24 H25 N3 O8 -","- C24 H25 N3 O8 -","- C192 H200 N24 O64 -","8","1","","Ravi Kumar, G.; Ramesh, Boora; Yarlagadda, Suresh; Sridhar, Balasubramanian; Reddy, B. V. Subba","Organocatalytic Enantioselective Mannich Reaction: Direct Access to Chiral β-Amino Esters.","ACS omega","2019","4","1","2168","2177","10.1021/acsomega.8b02132","","","0.71073","MoKα","","0.0995","0.0576","","","0.1272","0.1465","","","","","","1.013","","","","has coordinates","301843","2025-08-21","01:58:44",""
"4514944","17.1736","0.0006","28.5197","0.0011","15.4911","0.0005","90","","90","","90","","7587.3","0.5","150","2","150","2","","","","","","","","6","C c c a :2","-C 2a 2ac","68","","","","- C37 H21 Cl3 Cu N4 O10 -","- C37 H21 Cl3 Cu N4 O10 -","- C296 H168 Cl24 Cu8 N32 O80 -","8","0.5","","Li, Guo-Bi; Song, Bai-Qiao; Wang, Shi-Qiang; Pei, Ling-Min; Liu, Sheng-Gui; Song, Jiang-Li; Yang, Qing-Yuan","Selective Adsorption of Water, Methanol, and Ethanol by Naphthalene Diimide-Based Coordination Polymers with Constructed Open Cu<sup>2+</sup> Metal Sites and Separation of Ethanol/Acetonitrile.","ACS omega","2019","4","1","1995","2000","10.1021/acsomega.8b03229","","","1.54178","CuKα","","0.0936","0.0832","","","0.2568","0.2659","","","","","","1.051","","","","has coordinates","220110","2020-10-21","18:00:00",""
"4514945","17.033","0.002","28.521","0.006","15.29","0.002","90","","90","","90","","7428","2","293","2","293","2","","","","","","","","5","C c c a :2","-C 2a 2ac","68","","","","- C34 H18 Cu N4 O14 -","- C34 H18 Cu N4 O14 -","- C272 H144 Cu8 N32 O112 -","8","0.5","","Li, Guo-Bi; Song, Bai-Qiao; Wang, Shi-Qiang; Pei, Ling-Min; Liu, Sheng-Gui; Song, Jiang-Li; Yang, Qing-Yuan","Selective Adsorption of Water, Methanol, and Ethanol by Naphthalene Diimide-Based Coordination Polymers with Constructed Open Cu<sup>2+</sup> Metal Sites and Separation of Ethanol/Acetonitrile.","ACS omega","2019","4","1","1995","2000","10.1021/acsomega.8b03229","","","0.71073","MoKα","","0.1795","0.1284","","","0.3211","0.3441","","","","","","1.938","","","","has coordinates","220111","2020-10-21","18:00:00",""
"4514946","17.354","0.002","28.747","0.005","15.0069","0.0019","90","","90","","90","","7486.6","1.8","373","2","373","2","","","","","","","","5","C c c a :2","-C 2a 2ac","68","","","","- C34 H20 Cu N4 O11 -","- C34 H20 Cu N4 O11 -","- C272 H160 Cu8 N32 O88 -","8","0.5","","Li, Guo-Bi; Song, Bai-Qiao; Wang, Shi-Qiang; Pei, Ling-Min; Liu, Sheng-Gui; Song, Jiang-Li; Yang, Qing-Yuan","Selective Adsorption of Water, Methanol, and Ethanol by Naphthalene Diimide-Based Coordination Polymers with Constructed Open Cu<sup>2+</sup> Metal Sites and Separation of Ethanol/Acetonitrile.","ACS omega","2019","4","1","1995","2000","10.1021/acsomega.8b03229","","","0.71073","MoKα","","0.1937","0.0841","","","0.2178","0.2775","","","","","","1.004","","","","has coordinates","220112","2020-10-21","18:00:00",""
"4514947","6.5476","0.0005","5.9893","0.0004","14.4785","0.0012","90","","103.07","","90","","553.07","0.07","100","2","100","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- C8 H5 -","- C8 H5 -","- C32 H20 -","4","1","","Singh, Mala; Singh, Anoop S.; Mishra, Nidhi; Agrahari, Anand K.; Tiwari, Vinod K.","Benzotriazole as an Efficient Ligand in Cu-Catalyzed Glaser Reaction.","ACS omega","2019","4","1","2418","2424","10.1021/acsomega.8b03410","","","0.71073","MoKα","","0.0805","0.0685","","","0.1839","0.1961","","","","","","0.852","","","","has coordinates","301843","2025-08-21","01:58:44",""
"4514948","11.7532","0.0006","14.9001","0.0007","20.9384","0.0014","90","","105.744","0.007","90","","3529.2","0.4","200","0.14","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C34 H26 Mn2 N2 O11 Se2 -","- C34 H26 Mn2 N2 O11 Se2 -","- C136 H104 Mn8 N8 O44 Se8 -","4","1","","Kumar, Udit; Roy, Sritama; Jha, Raushan Kumar; Vidhyapriya, Pitchavel; Sakthivel, Natarajan; Manimaran, Bala.","Selenolato-Bridged Manganese(I)-Based Dinuclear Metallacycles as Potential Anticancer Agents and Photo-CORMs","ACS Omega","2019","4","1","1923","","10.1021/acsomega.8b03177","","","0.71073","MoKα","","0.0648","0.0405","","","0.0872","0.0992","","","","","","0.946","","","","has coordinates","220114","2020-10-21","18:00:00",""
"4514949","7.1303","0.0002","11.687","0.0004","15.7104","0.0005","82.5101","0.0013","82.4547","0.0013","88.0256","0.0013","1286.57","0.07","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H21 Cl3 F N3 O7 -","- C23 H21 Cl3 F N3 O7 -","- C46 H42 Cl6 F2 N6 O14 -","2","1","","Chaudhari, Prakash D.; Hong, Bor-Cherng; Wen, Chao-Lin; Lee, Gene-Hsiang","Asymmetric Synthesis of Spirocyclopentane Oxindoles Containing Four Consecutive Stereocenters and Quaternary α-Nitro Esters via Organocatalytic Enantioselective Michael-Michael Cascade Reactions.","ACS omega","2019","4","1","655","667","10.1021/acsomega.8b03049","","","1.54178","CuKα","","0.0683","0.0619","","","0.1726","0.1808","","","","","","1.07","","","","has coordinates","301843","2025-08-21","01:58:44",""
"4514950","11.74","0.0002","11.8392","0.0002","16.8209","0.0004","90","","109.766","0.0007","90","","2200.23","0.07","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H23 N3 O7 -","- C23 H23 N3 O7 -","- C92 H92 N12 O28 -","4","1","","Chaudhari, Prakash D.; Hong, Bor-Cherng; Wen, Chao-Lin; Lee, Gene-Hsiang","Asymmetric Synthesis of Spirocyclopentane Oxindoles Containing Four Consecutive Stereocenters and Quaternary α-Nitro Esters via Organocatalytic Enantioselective Michael-Michael Cascade Reactions.","ACS omega","2019","4","1","655","667","10.1021/acsomega.8b03049","","","1.54178","CuKα","","0.0472","0.0398","","","0.0958","0.1055","","","","","","1.067","","","","has coordinates","301843","2025-08-21","01:58:44",""
"4514951","5.8847","0.0001","10.0526","0.0002","31.9302","0.0007","90","","90","","90","","1888.88","0.06","200","2","200","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H18 Br N3 O5 -","- C20 H18 Br N3 O5 -","- C80 H72 Br4 N12 O20 -","4","1","","Chaudhari, Prakash D.; Hong, Bor-Cherng; Wen, Chao-Lin; Lee, Gene-Hsiang","Asymmetric Synthesis of Spirocyclopentane Oxindoles Containing Four Consecutive Stereocenters and Quaternary α-Nitro Esters via Organocatalytic Enantioselective Michael-Michael Cascade Reactions.","ACS omega","2019","4","1","655","667","10.1021/acsomega.8b03049","","","1.54178","CuKα","","0.0232","0.023","","","0.0591","0.0592","","","","","","1.091","","","","has coordinates","301843","2025-08-21","01:58:44",""
"4514952","12.6555","0.0003","32.3648","0.0007","10.778","0.0002","90","","104.647","0.0012","90","","4271.13","0.16","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H21 N3 O7 -","- C22 H21 N3 O7 -","- C176 H168 N24 O56 -","8","2","","Chaudhari, Prakash D.; Hong, Bor-Cherng; Wen, Chao-Lin; Lee, Gene-Hsiang","Asymmetric Synthesis of Spirocyclopentane Oxindoles Containing Four Consecutive Stereocenters and Quaternary α-Nitro Esters via Organocatalytic Enantioselective Michael-Michael Cascade Reactions.","ACS omega","2019","4","1","655","667","10.1021/acsomega.8b03049","","","1.54178","CuKα","","0.0908","0.0705","","","0.2032","0.225","","","","","","1.041","","","","has coordinates,has disorder","301843","2025-08-21","01:58:44",""
"4514953","12.1872","0.0003","19.6134","0.0004","10.1516","0.0002","90","","90","","90","","2426.56","0.09","200","2","200","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C23.5 H23.5 Cl1.5 N3 O7 -","- C23.5 H23.5 Cl1.5 N3 O7 -","- C94 H94 Cl6 N12 O28 -","4","1","","Chaudhari, Prakash D.; Hong, Bor-Cherng; Wen, Chao-Lin; Lee, Gene-Hsiang","Asymmetric Synthesis of Spirocyclopentane Oxindoles Containing Four Consecutive Stereocenters and Quaternary α-Nitro Esters via Organocatalytic Enantioselective Michael-Michael Cascade Reactions.","ACS omega","2019","4","1","655","667","10.1021/acsomega.8b03049","","","1.54178","CuKα","","0.0503","0.0494","","","0.1426","0.1448","","","","","","1.048","","","","has coordinates,has disorder","220119","2020-10-21","18:00:00",""
"4514954","10.694","0.0002","10.6945","0.0003","18.4813","0.0004","104.658","0.0006","95.9501","0.0006","99.2596","0.0007","1995.01","0.08","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H18 Br N3 O5 -","- C20 H18 Br N3 O5 -","- C80 H72 Br4 N12 O20 -","4","2","","Chaudhari, Prakash D.; Hong, Bor-Cherng; Wen, Chao-Lin; Lee, Gene-Hsiang","Asymmetric Synthesis of Spirocyclopentane Oxindoles Containing Four Consecutive Stereocenters and Quaternary α-Nitro Esters via Organocatalytic Enantioselective Michael-Michael Cascade Reactions.","ACS omega","2019","4","1","655","667","10.1021/acsomega.8b03049","","","1.54178","CuKα","","0.0462","0.0435","","","0.115","0.1182","","","","","","1.039","","","","has coordinates,has disorder","301843","2025-08-21","01:58:44",""
"4514955","7.2684","0.0002","24.3971","0.0005","12.3277","0.0003","90","","93.9065","0.0007","90","","2180.97","0.09","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H23 N3 O7 -","- C23 H23 N3 O7 -","- C92 H92 N12 O28 -","4","1","","Chaudhari, Prakash D.; Hong, Bor-Cherng; Wen, Chao-Lin; Lee, Gene-Hsiang","Asymmetric Synthesis of Spirocyclopentane Oxindoles Containing Four Consecutive Stereocenters and Quaternary α-Nitro Esters via Organocatalytic Enantioselective Michael-Michael Cascade Reactions.","ACS omega","2019","4","1","655","667","10.1021/acsomega.8b03049","","","1.54178","CuKα","","0.0487","0.045","","","0.1123","0.1159","","","","","","1.029","","","","has coordinates,has disorder","301843","2025-08-21","01:58:44",""
"4514956","9.5902","0.0002","9.6661","0.0002","20.341","0.0004","90","","90","","90","","1885.61","0.07","200","2","200","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H19 N3 O5 -","- C20 H19 N3 O5 -","- C80 H76 N12 O20 -","4","1","","Chaudhari, Prakash D.; Hong, Bor-Cherng; Wen, Chao-Lin; Lee, Gene-Hsiang","Asymmetric Synthesis of Spirocyclopentane Oxindoles Containing Four Consecutive Stereocenters and Quaternary α-Nitro Esters via Organocatalytic Enantioselective Michael-Michael Cascade Reactions.","ACS omega","2019","4","1","655","667","10.1021/acsomega.8b03049","","","1.54178","CuKα","","0.0344","0.0334","","","0.0881","0.0896","","","","","","1.039","","","","has coordinates","301843","2025-08-21","01:58:44",""
"4514957","11.4775","0.0004","29.4193","0.001","14.3936","0.0005","90","","108.357","0.0011","90","","4612.8","0.3","200","2","200","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H25 N3 O7 -","- C24 H25 N3 O7 -","- C192 H200 N24 O56 -","8","2","","Chaudhari, Prakash D.; Hong, Bor-Cherng; Wen, Chao-Lin; Lee, Gene-Hsiang","Asymmetric Synthesis of Spirocyclopentane Oxindoles Containing Four Consecutive Stereocenters and Quaternary α-Nitro Esters via Organocatalytic Enantioselective Michael-Michael Cascade Reactions.","ACS omega","2019","4","1","655","667","10.1021/acsomega.8b03049","","","1.54178","CuKα","","0.0605","0.053","","","0.1294","0.1378","","","","","","1.028","","","","has coordinates,has disorder","301843","2025-08-21","01:58:44",""
"4514958","9.2665","0.0003","10.5833","0.0003","17.9618","0.0005","90","","90.9476","0.0008","90","","1761.28","0.09","200","2","200","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H19 N3 O5 -","- C20 H19 N3 O5 -","- C80 H76 N12 O20 -","4","1","","Chaudhari, Prakash D.; Hong, Bor-Cherng; Wen, Chao-Lin; Lee, Gene-Hsiang","Asymmetric Synthesis of Spirocyclopentane Oxindoles Containing Four Consecutive Stereocenters and Quaternary α-Nitro Esters via Organocatalytic Enantioselective Michael-Michael Cascade Reactions.","ACS omega","2019","4","1","655","667","10.1021/acsomega.8b03049","","","1.54178","CuKα","","0.0497","0.0478","","","0.1411","0.1439","","","","","","1.049","","","","has coordinates","301843","2025-08-21","01:58:44",""
"4514959","11.3435","0.0004","14.1708","0.0005","17.3486","0.0006","105.216","0.0011","96.8216","0.0012","109.162","0.0012","2476.78","0.15","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H48 Br2 N6 O16 -","- C48 H48 Br2 N6 O16 -","- C96 H96 Br4 N12 O32 -","2","1","","Chaudhari, Prakash D.; Hong, Bor-Cherng; Wen, Chao-Lin; Lee, Gene-Hsiang","Asymmetric Synthesis of Spirocyclopentane Oxindoles Containing Four Consecutive Stereocenters and Quaternary α-Nitro Esters via Organocatalytic Enantioselective Michael-Michael Cascade Reactions.","ACS omega","2019","4","1","655","667","10.1021/acsomega.8b03049","","","1.54178","CuKα","","0.054","0.0499","","","0.1357","0.1409","","","","","","1.07","","","","has coordinates,has disorder","301843","2025-08-21","01:58:44",""
"4514960","23.749","0.0011","31.2851","0.0015","17.9917","0.0009","90","","108.379","0.002","90","","12685.8","1.1","188","2","188","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C55 H42 N2 O2 S -","- C55 H42 N2 O2 S -","- C660 H504 N24 O24 S12 -","12","3","","Rao, Jiancheng; Zhao, Chenyang; Wang, Yanping; Bai, Keyan; Wang, Shumeng; Ding, Junqiao; Wang, Lixiang","Achieving Deep-Blue Thermally Activated Delayed Fluorescence in Nondoped Organic Light-Emitting Diodes through a Spiro-Blocking Strategy.","ACS omega","2019","4","1","1861","1867","10.1021/acsomega.8b03296","","","0.71073","MoKα","","0.1193","0.0702","","","0.1743","0.2216","","","","","","1.03","","","","has coordinates","301843","2025-08-21","01:58:44",""
"4514961","12.2404","0.001","9.0337","0.0008","8.8173","0.0007","90","","97.116","0.002","90","","967.47","0.14","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H10 N2 O3 S -","- C8 H10 N2 O3 S -","- C32 H40 N8 O12 S4 -","4","1","","Chen, Zhengwang; Liu, Botao; Liang, Pei; Luo, Haiqing; Zheng, Jing; Wen, Xiaowei; Liu, Tanggao; Luo, Guotian; Ye, Min","Construction of N-S and C-N Bonds from Reactions of Benzofuroxans with DMSO or THF.","ACS omega","2019","4","1","281","291","10.1021/acsomega.8b03353","","","0.71073","MoKα","","0.0391","0.0342","","","0.0958","0.1012","","","","","","1.114","","","","has coordinates","301843","2025-08-21","01:58:44",""
"4514962","10.1121","0.001","9.0764","0.0009","24.912","0.002","90","","90","","90","","2286.5","0.4","298","2","298.49","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C10 H11 I N2 O3 -","- C10 H11 I N2 O3 -","- C80 H88 I8 N16 O24 -","8","1","","Chen, Zhengwang; Liu, Botao; Liang, Pei; Luo, Haiqing; Zheng, Jing; Wen, Xiaowei; Liu, Tanggao; Luo, Guotian; Ye, Min","Construction of N-S and C-N Bonds from Reactions of Benzofuroxans with DMSO or THF.","ACS omega","2019","4","1","281","291","10.1021/acsomega.8b03353","","","0.71073","MoKα","","0.0518","0.044","","","0.0902","0.093","","","","","","1.228","","","","has coordinates","301843","2025-08-21","01:58:44",""
"4514963","11.2031","0.0017","11.2959","0.0018","12.3335","0.0019","75.867","0.003","84.541","0.004","68.411","0.003","1407.3","0.4","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H34 Cl N O5 -","- C30 H34 Cl N O5 -","- C60 H68 Cl2 N2 O10 -","2","1","","Dwari, Soumita; Jana, Chandan K.","Regio- and Enantioselective (Het)arylation of β-Alkenyl Pyrroline to α-Aryl-β-alkenyl Pyrrolidines.","ACS omega","2019","4","1","2445","2454","10.1021/acsomega.8b03033","","","0.71073","MoKα","","0.134","0.0677","","","0.1762","0.2075","","","","","","0.902","","","","has coordinates","301843","2025-08-21","01:58:44",""
"4514964","4.6276","0.0002","44.886","0.002","9.6881","0.0005","90","","94.437","0.002","90","","2006.33","0.16","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C26 H24 O5 -","- C26 H24 O5 -","- C104 H96 O20 -","4","1","","Paymode, Dinesh J.; Ramana, Chepuri V.","Studies toward the Total Synthesis of Parvifolals A/B: An Intramolecular <i>o</i>-Quinone Methide [4 + 2]-Cycloaddition To Construct the Central Tetracyclic Core.","ACS omega","2019","4","1","810","818","10.1021/acsomega.8b02777","","","0.71073","MoKα","","0.0864","0.0706","","","0.1244","0.1296","","","","","","1.173","","","","has coordinates","301843","2025-08-21","01:58:44",""
"4514965","14.342","0.001","10.8063","0.0006","27.4777","0.0018","90","","90","","90","","4258.6","0.5","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C26 H26 O5 -","- C26 H26 O5 -","- C208 H208 O40 -","8","1","","Paymode, Dinesh J.; Ramana, Chepuri V.","Studies toward the Total Synthesis of Parvifolals A/B: An Intramolecular <i>o</i>-Quinone Methide [4 + 2]-Cycloaddition To Construct the Central Tetracyclic Core.","ACS omega","2019","4","1","810","818","10.1021/acsomega.8b02777","","","0.71073","MoKα","","0.1221","0.1048","","","0.2099","0.2205","","","","","","1.4","","","","has coordinates","301843","2025-08-21","01:58:44",""
"4514966","14.734","0.015","6.879","0.006","15.543","0.018","90","","102.27","0.04","90","","1539","3","110","2","110","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C15 H19 Cl N2 O Pt -","- C15 H19 Cl N2 O Pt -","- C60 H76 Cl4 N8 O4 Pt4 -","4","1","","Azizpoor Fard, Mahmood; Behnia, Ava; Puddephatt, Richard J.","Models for Cooperative Catalysis: Oxidative Addition Reactions of Dimethylplatinum(II) Complexes with Ligands Having Both NH and OH Functionality.","ACS omega","2019","4","1","257","268","10.1021/acsomega.8b03089","","","0.71073","MoKα","","0.0271","0.0252","","","0.0714","0.0721","","","","","","1.213","","","","has coordinates,has disorder","220132","2020-10-21","18:00:00",""
"4514967","9.289","0.002","12.287","0.003","14.269","0.004","90","","108.793","0.013","90","","1541.8","0.7","110","","110","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H22 N2 O2 Pt -","- C15 H22 N2 O2 Pt -","- C60 H88 N8 O8 Pt4 -","4","1","","Azizpoor Fard, Mahmood; Behnia, Ava; Puddephatt, Richard J.","Models for Cooperative Catalysis: Oxidative Addition Reactions of Dimethylplatinum(II) Complexes with Ligands Having Both NH and OH Functionality.","ACS omega","2019","4","1","257","268","10.1021/acsomega.8b03089","","","0.71073","MoKα","","0.0503","0.0296","","","0.0651","0.0726","","","","","","0.961","","","","has coordinates","220132","2020-10-21","18:00:00",""
"4514968","13.594","0.003","20.593","0.008","18.051","0.007","90","","97.012","0.018","90","","5015","3","110","2","110","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H32 N4 O2 Pt -","- C27 H32 N4 O2 Pt -","- C216 H256 N32 O16 Pt8 -","8","2","","Azizpoor Fard, Mahmood; Behnia, Ava; Puddephatt, Richard J.","Models for Cooperative Catalysis: Oxidative Addition Reactions of Dimethylplatinum(II) Complexes with Ligands Having Both NH and OH Functionality.","ACS omega","2019","4","1","257","268","10.1021/acsomega.8b03089","","","0.71073","MoKα","","0.041","0.0371","","","0.0962","0.0993","","","","","","1.066","","","","has coordinates","220132","2020-10-21","18:00:00",""
"4514969","12.6298","0.0011","8.035","0.0007","16.7136","0.0014","90","","102.705","0.004","90","","1654.6","0.2","110","2","110","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C15 H21 I N2 O Pt -","- C15 H21 I N2 O Pt -","- C60 H84 I4 N8 O4 Pt4 -","4","1","","Azizpoor Fard, Mahmood; Behnia, Ava; Puddephatt, Richard J.","Models for Cooperative Catalysis: Oxidative Addition Reactions of Dimethylplatinum(II) Complexes with Ligands Having Both NH and OH Functionality.","ACS omega","2019","4","1","257","268","10.1021/acsomega.8b03089","","","0.71073","MoKα","","0.0291","0.0271","","","0.0709","0.0717","","","","","","1.178","","","","has coordinates","220132","2020-10-21","18:00:00",""
"4514970","8.607","0.003","10.031","0.004","19.09","0.007","90","","90","","90","","1648.2","1.1","110","","110","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C15 H21 I N2 O Pt -","- C15 H21 I N2 O Pt -","- C60 H84 I4 N8 O4 Pt4 -","4","1","","Azizpoor Fard, Mahmood; Behnia, Ava; Puddephatt, Richard J.","Models for Cooperative Catalysis: Oxidative Addition Reactions of Dimethylplatinum(II) Complexes with Ligands Having Both NH and OH Functionality.","ACS omega","2019","4","1","257","268","10.1021/acsomega.8b03089","","","0.71073","MoKα","","0.0401","0.0298","","","0.0632","0.0681","","","","","","0.84","","","","has coordinates","220132","2020-10-21","18:00:00",""
"4514971","10.994","0.004","17.573","0.008","15.289","0.007","90","","98.994","0.008","90","","2917","2","110","","110","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H20 N2 O3 Pt -","- C14 H20 N2 O3 Pt -","- C112 H160 N16 O24 Pt8 -","8","2","","Azizpoor Fard, Mahmood; Behnia, Ava; Puddephatt, Richard J.","Models for Cooperative Catalysis: Oxidative Addition Reactions of Dimethylplatinum(II) Complexes with Ligands Having Both NH and OH Functionality.","ACS omega","2019","4","1","257","268","10.1021/acsomega.8b03089","","","0.71073","MoKα","","0.124","0.0506","","","0.0757","0.0906","","","","","","1.018","","","","has coordinates","220132","2020-10-21","18:00:00",""
"4514972","8.1553","0.0018","9.9572","0.0015","11.011","0.002","112.204","0.006","107.551","0.008","96.626","0.006","762.2","0.3","110","","110","","","","","","","","","5","P -1","-P 1","2","","","","- C14 H22 N2 O4 Pt -","- C14 H22 N2 O4 Pt -","- C28 H44 N4 O8 Pt2 -","2","1","","Azizpoor Fard, Mahmood; Behnia, Ava; Puddephatt, Richard J.","Models for Cooperative Catalysis: Oxidative Addition Reactions of Dimethylplatinum(II) Complexes with Ligands Having Both NH and OH Functionality.","ACS omega","2019","4","1","257","268","10.1021/acsomega.8b03089","","","0.71073","MoKα","","0.026","0.0254","","","0.0851","0.0863","","","","","","0.821","","","","has coordinates","220132","2020-10-21","18:00:00",""
"4514973","11.584","0.007","11.704","0.014","13.061","0.014","90","","109.67","0.03","90","","1667","3","110","","110","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H24 N2 O4 Pt -","- C15 H24 N2 O4 Pt -","- C60 H96 N8 O16 Pt4 -","4","1","","Azizpoor Fard, Mahmood; Behnia, Ava; Puddephatt, Richard J.","Models for Cooperative Catalysis: Oxidative Addition Reactions of Dimethylplatinum(II) Complexes with Ligands Having Both NH and OH Functionality.","ACS omega","2019","4","1","257","268","10.1021/acsomega.8b03089","","","0.71073","MoKα","","0.026","0.0244","","","0.0946","0.0962","","","","","","1.095","","","","has coordinates","220132","2020-10-21","18:00:00",""
"4514974","7.754","0.004","7.966","0.006","13.423","0.011","99.03","0.04","101.68","0.02","92.59","0.05","799.3","1","110","","110","","","","","","","","","6","P -1","-P 1","2","","","","- C15 H19 I N2 O Pt -","- C15 H19 I N2 O Pt -","- C30 H38 I2 N4 O2 Pt2 -","2","1","","Azizpoor Fard, Mahmood; Behnia, Ava; Puddephatt, Richard J.","Models for Cooperative Catalysis: Oxidative Addition Reactions of Dimethylplatinum(II) Complexes with Ligands Having Both NH and OH Functionality.","ACS omega","2019","4","1","257","268","10.1021/acsomega.8b03089","","","0.71073","MoKα","","0.0418","0.032","","","0.0678","0.0714","","","","","","0.981","","","","has coordinates","220132","2020-10-21","18:00:00",""
"4514975","10.42","0.004","7.367","0.003","23.668","0.006","90","","91.804","0.019","90","","1816","1.1","110","","110","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H26 N2 O5 Pt -","- C16 H26 N2 O5 Pt -","- C64 H104 N8 O20 Pt4 -","4","1","","Azizpoor Fard, Mahmood; Behnia, Ava; Puddephatt, Richard J.","Models for Cooperative Catalysis: Oxidative Addition Reactions of Dimethylplatinum(II) Complexes with Ligands Having Both NH and OH Functionality.","ACS omega","2019","4","1","257","268","10.1021/acsomega.8b03089","","","0.71073","MoKα","","0.0526","0.0325","","","0.0576","0.0633","","","","","","1.002","","","","has coordinates","220132","2020-10-21","18:00:00",""
"4514976","16.687","0.006","7.538","0.003","49.99","0.017","90","","90","","90","","6288","4","150","2","150","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C27 I N5 P2 Pt -","- C27 I N5 P2 Pt -","- C216 I8 N40 P16 Pt8 -","8","2","","Singh, Khushwant; Gangrade, Ankit; Jana, Achintya; Mandal, Biman B.; Das, Neeladri","Design, Synthesis, Characterization, and Antiproliferative Activity of Organoplatinum Compounds Bearing a 1,2,3-Triazole Ring","ACS Omega","2019","4","1","835","","10.1021/acsomega.8b02849","","","0.71073","MoKα","","0.1611","0.1157","","","0.2677","0.2868","","","","","","1.16","","","","has coordinates","220133","2020-10-21","18:00:00",""
"4514977","10.5961","0.0002","25.9364","0.0005","15.8162","0.0003","90","","108.823","0.002","90","","4114.22","0.14","150","2","150.03","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C37 H31 Cl9 N6 O4 -","- C37 H31 Cl9 N6 O4 -","- C148 H124 Cl36 N24 O16 -","4","1","","Knighton, Richard C.; Sharma, Krishna; Robertson, Naomi S.; Spring, David R.; Wills, Martin","Synthesis and Reactivity of a Bis-Strained Alkyne Derived from 1,1'-Biphenyl-2,2',6,6'-tetrol.","ACS omega","2019","4","1","2160","2167","10.1021/acsomega.8b03634","","x-ray","1.54184","CuKα","","0.1068","0.092","","","0.2501","0.2671","","","","","","1.025","","","","has coordinates,has disorder","220134","2020-10-21","18:00:00",""
"4514978","7.9848","0.0005","10.9219","0.0007","10.4925","0.0007","90","","94.018","0.004","90","","912.79","0.1","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H14 N4 S2 -","- C20 H14 N4 S2 -","- C40 H28 N8 S4 -","2","0.5","","Peterson, Joshua P.; Zhang, Rui; Winter, Arthur H.","Effect of Structure on the Spin Switching and Magnetic Bistability of Solid-State Aryl Dicyanomethyl Monoradicals and Diradicals.","ACS omega","2019","4","8","13538","13542","10.1021/acsomega.9b01658","","","1.54178","CuKα","","0.0414","0.0392","","","0.0962","0.0981","","","","","","1.056","","","","has coordinates","301843","2025-08-21","01:58:44",""
"4514979","5.2432","0.0009","10.3449","0.0019","17.386","0.004","90","","90","","90","","943","0.3","198","140","198","140","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C7 H14 N2 O3 -","- C7 H14 N2 O3 -","- C28 H56 N8 O12 -","4","1","","Sasmal, Supriya; Roy Chowdhury, Srayoshi; Podder, Debasish; Haldar, Debasish","Urea-Appended Amino Acid To Vitalize Yeast Growth, Enhance Fermentation, and Promote Ethanol Production.","ACS omega","2019","4","8","13172","13179","10.1021/acsomega.9b01260","","x-ray","0.71073","MoKα","","0.0774","0.0676","","","0.1787","0.1915","","","","","","1.073","","","","has coordinates","301843","2025-08-21","01:58:44",""
"4514980","7.5481","0.0002","8.9419","0.0003","7.9881","0.0002","90","","94.066","0.002","90","","537.79","0.03","100","0.1","100","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C7 H17 N5 O4 -","- C7 H17 N5 O4 -","- C14 H34 N10 O8 -","2","1","","Sasmal, Supriya; Roy Chowdhury, Srayoshi; Podder, Debasish; Haldar, Debasish","Urea-Appended Amino Acid To Vitalize Yeast Growth, Enhance Fermentation, and Promote Ethanol Production.","ACS omega","2019","4","8","13172","13179","10.1021/acsomega.9b01260","","x-ray","0.71073","MoKα","","0.0257","0.025","","","0.059","0.0595","","","","","","1.039","","","","has coordinates","301843","2025-08-21","01:58:44",""
"4514981","21.0912","0.0004","26.5514","0.0005","3.97924","0.00007","90","","90","","90","","2228.38","0.07","100","2","100","2","","","","","","","","3","P b a 2","P 2 -2ab","32","","","","- Mo7.66 O30.85 V2.82 -","- Mo7.665 O30.85 V2.815 -","- Mo30.66 O123.4 V11.26 -","4","1","","Sadakane, Masahiro; Kodato, Katsunori; Yasuda, Nobuhiro; Ishikawa, Satoshi; Ueda, Wataru","Thermal Behavior, Crystal Structure, and Solid-State Transformation of Orthorhombic Mo-V Oxide under Nitrogen Flow or in Air.","ACS omega","2019","4","8","13165","13171","10.1021/acsomega.9b01212","","","0.83077","Synchrotron","","0.0788","0.0442","","","0.0913","0.137","","","","","","1.216","","","","has coordinates,has disorder","220138","2020-10-21","18:00:00",""
"4514982","11.9944","0.0016","27.537","0.004","12.7749","0.0017","90","","103.334","0.004","90","","4105.7","1","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C47 H31 Br2 N O4 -","- C47 H31 Br2 N O4 -","- C188 H124 Br8 N4 O16 -","4","1","","Yang, Wen-Juan; Fang, Hui-Lin; Sun, Jing; Yan, Chao-Guo","Construction of Dispiro-Indenone Scaffolds via Domino Cycloaddition Reactions of α,β-Unsaturated Aldimines with 2-Arylidene-1,3-indenediones and 2,2'-(Arylmethylene)bis(1,3-indenediones).","ACS omega","2019","4","8","13553","13569","10.1021/acsomega.9b01960","","","0.71073","MoKα","","0.161","0.0696","","","0.1619","0.2001","","","","","","1.01","","","","has coordinates,has disorder","301843","2025-08-21","01:58:44",""
"4514983","12.801","0.003","27.4","0.007","12.949","0.003","90","","106.379","0.006","90","","4357.5","1.8","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C47 H30 Br3 N O4 -","- C47 H30 Br3 N O4 -","- C188 H120 Br12 N4 O16 -","4","1","","Yang, Wen-Juan; Fang, Hui-Lin; Sun, Jing; Yan, Chao-Guo","Construction of Dispiro-Indenone Scaffolds via Domino Cycloaddition Reactions of α,β-Unsaturated Aldimines with 2-Arylidene-1,3-indenediones and 2,2'-(Arylmethylene)bis(1,3-indenediones).","ACS omega","2019","4","8","13553","13569","10.1021/acsomega.9b01960","","","0.71073","MoKα","","0.2758","0.1157","","","0.2858","0.3296","","","","","","0.979","","","","has coordinates","301843","2025-08-21","01:58:44",""
"4514984","21.259","0.003","9.2263","0.0014","23.706","0.003","90","","112.936","0.005","90","","4282.1","1.1","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C48 H33 N3 O9 -","- C48 H33 N3 O9 -","- C192 H132 N12 O36 -","4","1","","Yang, Wen-Juan; Fang, Hui-Lin; Sun, Jing; Yan, Chao-Guo","Construction of Dispiro-Indenone Scaffolds via Domino Cycloaddition Reactions of α,β-Unsaturated Aldimines with 2-Arylidene-1,3-indenediones and 2,2'-(Arylmethylene)bis(1,3-indenediones).","ACS omega","2019","4","8","13553","13569","10.1021/acsomega.9b01960","","","0.71073","MoKα","","0.2723","0.108","","","0.2646","0.3113","","","","","","0.936","","","","has coordinates","301843","2025-08-21","01:58:44",""
"4514985","10.5546","0.0007","16.9428","0.001","21.5166","0.0014","90","","90","","90","","3847.7","0.4","296","2","296","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C48 H33 Br2 N O4 -","- C48 H33 Br2 N O4 -","- C192 H132 Br8 N4 O16 -","4","1","","Yang, Wen-Juan; Fang, Hui-Lin; Sun, Jing; Yan, Chao-Guo","Construction of Dispiro-Indenone Scaffolds via Domino Cycloaddition Reactions of α,β-Unsaturated Aldimines with 2-Arylidene-1,3-indenediones and 2,2'-(Arylmethylene)bis(1,3-indenediones).","ACS omega","2019","4","8","13553","13569","10.1021/acsomega.9b01960","","","0.71073","MoKα","","0.085","0.0424","","","0.0834","0.0922","","","","","","1.015","","","","has coordinates","301843","2025-08-21","01:58:44",""
"4514986","9.4168","0.0005","16.9448","0.0009","22.316","0.0011","90","","90","","90","","3560.9","0.3","296","2","296","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C47 H31 F2 N O4 -","- C47 H31 F2 N O4 -","- C188 H124 F8 N4 O16 -","4","1","","Yang, Wen-Juan; Fang, Hui-Lin; Sun, Jing; Yan, Chao-Guo","Construction of Dispiro-Indenone Scaffolds via Domino Cycloaddition Reactions of α,β-Unsaturated Aldimines with 2-Arylidene-1,3-indenediones and 2,2'-(Arylmethylene)bis(1,3-indenediones).","ACS omega","2019","4","8","13553","13569","10.1021/acsomega.9b01960","","","0.71073","MoKα","","0.1216","0.0553","","","0.1127","0.1406","","","","","","1.02","","","","has coordinates,has disorder","301843","2025-08-21","01:58:44",""
"4514987","12.8873","0.0005","16.6635","0.0007","20.146","0.0009","90","","95.2856","0.0014","90","","4307.9","0.3","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C48 H32 Br Cl2 N O4 -","- C48 H32 Br Cl2 N O4 -","- C192 H128 Br4 Cl8 N4 O16 -","4","1","","Yang, Wen-Juan; Fang, Hui-Lin; Sun, Jing; Yan, Chao-Guo","Construction of Dispiro-Indenone Scaffolds via Domino Cycloaddition Reactions of α,β-Unsaturated Aldimines with 2-Arylidene-1,3-indenediones and 2,2'-(Arylmethylene)bis(1,3-indenediones).","ACS omega","2019","4","8","13553","13569","10.1021/acsomega.9b01960","","","0.71073","MoKα","","0.089","0.0474","","","0.104","0.1204","","","","","","1.015","","","","has coordinates","301843","2025-08-21","01:58:44",""
"4514988","11.4873","0.0014","15.744","0.002","30.126","0.004","90","","91.112","0.004","90","","5447.4","1.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C48 H33 Br2 N O4 -","- C48 H33 Br2 N O4 -","- C192 H132 Br8 N4 O16 -","4","1","","Yang, Wen-Juan; Fang, Hui-Lin; Sun, Jing; Yan, Chao-Guo","Construction of Dispiro-Indenone Scaffolds via Domino Cycloaddition Reactions of α,β-Unsaturated Aldimines with 2-Arylidene-1,3-indenediones and 2,2'-(Arylmethylene)bis(1,3-indenediones).","ACS omega","2019","4","8","13553","13569","10.1021/acsomega.9b01960","","","0.71073","MoKα","","0.1448","0.0709","","","0.1963","0.233","","","","","","1.064","","","","has coordinates","301843","2025-08-21","01:58:44",""
"4514989","10.7296","0.0014","20.624","0.003","15.099","0.002","90","","92.26","0.003","90","","3338.6","0.8","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C41 H30 Cl N O5 -","- C41 H30 Cl N O5 -","- C164 H120 Cl4 N4 O20 -","4","1","","Yang, Wen-Juan; Fang, Hui-Lin; Sun, Jing; Yan, Chao-Guo","Construction of Dispiro-Indenone Scaffolds via Domino Cycloaddition Reactions of α,β-Unsaturated Aldimines with 2-Arylidene-1,3-indenediones and 2,2'-(Arylmethylene)bis(1,3-indenediones).","ACS omega","2019","4","8","13553","13569","10.1021/acsomega.9b01960","","","0.71073","MoKα","","0.2327","0.1195","","","0.1906","0.2582","","","","","","1.027","","","","has coordinates","301843","2025-08-21","01:58:44",""
"4514990","10.9707","0.0006","12.8061","0.0008","14.0208","0.0009","111.15","0.002","98.204","0.002","104.424","0.002","1719.22","0.19","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H28 Br N O4 -","- C40 H28 Br N O4 -","- C80 H56 Br2 N2 O8 -","2","1","","Yang, Wen-Juan; Fang, Hui-Lin; Sun, Jing; Yan, Chao-Guo","Construction of Dispiro-Indenone Scaffolds via Domino Cycloaddition Reactions of α,β-Unsaturated Aldimines with 2-Arylidene-1,3-indenediones and 2,2'-(Arylmethylene)bis(1,3-indenediones).","ACS omega","2019","4","8","13553","13569","10.1021/acsomega.9b01960","","","0.71073","MoKα","","0.091","0.0516","","","0.1254","0.1427","","","","","","1.022","","","","has coordinates","301843","2025-08-21","01:58:44",""
"4514991","7.4084","0.0004","11.1408","0.0006","11.3339","0.0007","100.616","0.005","101.797","0.005","109.396","0.005","830.9","0.09","130","2","130","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H19 B10 N O -","- C12 H19 B10 N O -","- C24 H38 B20 N2 O2 -","2","1","","Buzharevski, Antonio; Paskas, Svetlana; Laube, Markus; Lönnecke, Peter; Neumann, Wilma; Murganic, Blagoje; Mijatovic, Sanja; Maksimovic-Ivanic, Danijela; Pietzsch, Jens; Hey-Hawkins, Evamarie","Carboranyl Analogues of Ketoprofen with Cytostatic Activity against Human Melanoma and Colon Cancer Cell Lines.","ACS omega","2019","4","5","8824","8833","10.1021/acsomega.9b00412","","","0.71073","MoKα","","0.0816","0.0511","","","0.119","0.1359","","","","","","1.026","","","","has coordinates","220140","2020-10-21","18:00:00",""
"4514992","6.7972","0.0007","10.1541","0.001","13.2095","0.0018","83.456","0.01","82.083","0.01","73.997","0.009","865.26","0.18","130","2","130","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H20 B10 O3 -","- C12 H20 B10 O3 -","- C24 H40 B20 O6 -","2","1","","Buzharevski, Antonio; Paskas, Svetlana; Laube, Markus; Lönnecke, Peter; Neumann, Wilma; Murganic, Blagoje; Mijatovic, Sanja; Maksimovic-Ivanic, Danijela; Pietzsch, Jens; Hey-Hawkins, Evamarie","Carboranyl Analogues of Ketoprofen with Cytostatic Activity against Human Melanoma and Colon Cancer Cell Lines.","ACS omega","2019","4","5","8824","8833","10.1021/acsomega.9b00412","","","0.71073","MoKα","","0.0924","0.0532","","","0.1115","0.1309","","","","","","1.028","","","","has coordinates,has disorder","220140","2020-10-21","18:00:00",""
"4514993","6.8188","0.0003","15.6754","0.0007","16.1269","0.0007","91.943","0.004","93.8","0.004","92.089","0.004","1717.69","0.13","130","2","130","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H20 B10 O3 -","- C12 H20 B10 O3 -","- C48 H80 B40 O12 -","4","2","","Buzharevski, Antonio; Paskas, Svetlana; Laube, Markus; Lönnecke, Peter; Neumann, Wilma; Murganic, Blagoje; Mijatovic, Sanja; Maksimovic-Ivanic, Danijela; Pietzsch, Jens; Hey-Hawkins, Evamarie","Carboranyl Analogues of Ketoprofen with Cytostatic Activity against Human Melanoma and Colon Cancer Cell Lines.","ACS omega","2019","4","5","8824","8833","10.1021/acsomega.9b00412","","","0.71073","MoKα","","0.0809","0.0522","","","0.1127","0.1258","","","","","","1.013","","","","has coordinates","220140","2020-10-21","18:00:00",""
"4514994","11.4382","0.0003","21.7525","0.0008","7.4867","0.0003","90","","89.81","0.003","90","","1862.75","0.11","320","2","320","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H14 Fe2 N2 O13 -","- C14 H14 Fe2 N2 O13 -","- C56 H56 Fe8 N8 O52 -","4","0.5","","Adhikary, Amit; Akhtar, Sohel; Pariyar, Anand; Batsanov, Andrei S.; Mondal, Raju","Temperature-Induced Single-Crystal-to-Single-Crystal Transformations with Consequential Changes in the Magnetic Properties of Fe(III) Complexes.","ACS omega","2019","4","5","8731","8738","10.1021/acsomega.8b03400","","x-ray","0.71073","MoKα","","0.0516","0.0353","","","0.0814","0.09","","","","","","1.042","","","","has coordinates","301843","2025-08-21","01:58:44",""
"4514995","11.4343","0.0003","21.7262","0.0007","7.4193","0.0003","90","","89.963","0.003","90","","1843.13","0.11","220","2","220","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H14 Fe2 N2 O13 -","- C14 H14 Fe2 N2 O13 -","- C56 H56 Fe8 N8 O52 -","4","0.5","","Adhikary, Amit; Akhtar, Sohel; Pariyar, Anand; Batsanov, Andrei S.; Mondal, Raju","Temperature-Induced Single-Crystal-to-Single-Crystal Transformations with Consequential Changes in the Magnetic Properties of Fe(III) Complexes.","ACS omega","2019","4","5","8731","8738","10.1021/acsomega.8b03400","","x-ray","0.71073","MoKα","","0.0463","0.0346","","","0.0847","0.0914","","","","","","1.063","","","","has coordinates","301843","2025-08-21","01:58:44",""
"4514996","11.479","0.0005","21.7236","0.0006","7.3541","0.0003","90","","90.167","0.003","90","","1833.85","0.12","120","2","120","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H14 Fe2 N2 O13 -","- C14 H14 Fe2 N2 O13 -","- C56 H56 Fe8 N8 O52 -","4","0.5","","Adhikary, Amit; Akhtar, Sohel; Pariyar, Anand; Batsanov, Andrei S.; Mondal, Raju","Temperature-Induced Single-Crystal-to-Single-Crystal Transformations with Consequential Changes in the Magnetic Properties of Fe(III) Complexes.","ACS omega","2019","4","5","8731","8738","10.1021/acsomega.8b03400","","x-ray","0.71073","MoKα","","0.0464","0.0353","","","0.0781","0.0836","","","","","","1.046","","","","has coordinates","301843","2025-08-21","01:58:44",""
"4514997","11.3826","0.0003","21.696","0.0009","7.4517","0.0003","90","","90.222","0.001","90","","1840.23","0.12","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H6 Fe2 N2 O13 -","- C14 H11 Fe2 N2 O13 -","- C56 H44 Fe8 N8 O52 -","4","0.5","","Adhikary, Amit; Akhtar, Sohel; Pariyar, Anand; Batsanov, Andrei S.; Mondal, Raju","Temperature-Induced Single-Crystal-to-Single-Crystal Transformations with Consequential Changes in the Magnetic Properties of Fe(III) Complexes.","ACS omega","2019","4","5","8731","8738","10.1021/acsomega.8b03400","","","0.71073","MoKα","","0.0207","0.0203","","","0.0571","0.0573","","","","","","1.015","","","","has coordinates","220144","2020-10-21","18:00:00",""
"4514998","11.4656","0.0004","21.7296","0.0006","7.3867","0.0003","90","","90.066","0.003","90","","1840.34","0.11","170","2","170","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H14 Fe2 N2 O13 -","- C14 H14 Fe2 N2 O13 -","- C56 H56 Fe8 N8 O52 -","4","0.5","","Adhikary, Amit; Akhtar, Sohel; Pariyar, Anand; Batsanov, Andrei S.; Mondal, Raju","Temperature-Induced Single-Crystal-to-Single-Crystal Transformations with Consequential Changes in the Magnetic Properties of Fe(III) Complexes.","ACS omega","2019","4","5","8731","8738","10.1021/acsomega.8b03400","","x-ray","0.71073","MoKα","","0.0443","0.0322","","","0.0738","0.08","","","","","","1.058","","","","has coordinates","301843","2025-08-21","01:58:44",""
"4514999","7.2508","0.0019","8.01","0.003","8.795","0.002","82.177","0.011","70.183","0.007","64.893","0.007","435.1","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H6 Fe2 N2 O12 -","- C14 H6 Fe2 N2 O12 -","- C14 H6 Fe2 N2 O12 -","1","0.5","","Adhikary, Amit; Akhtar, Sohel; Pariyar, Anand; Batsanov, Andrei S.; Mondal, Raju","Temperature-Induced Single-Crystal-to-Single-Crystal Transformations with Consequential Changes in the Magnetic Properties of Fe(III) Complexes.","ACS omega","2019","4","5","8731","8738","10.1021/acsomega.8b03400","","","0.71073","MoKα","","0.0596","0.0586","","","0.1285","0.129","","","","","","0.954","","","","has coordinates","220146","2020-10-21","18:00:00",""
"4515000","11.4431","0.0004","21.738","0.0006","7.4572","0.0003","90","","89.899","0.003","90","","1854.98","0.11","270","2","270","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H14 Fe2 N2 O13 -","- C14 H14 Fe2 N2 O13 -","- C56 H56 Fe8 N8 O52 -","4","0.5","","Adhikary, Amit; Akhtar, Sohel; Pariyar, Anand; Batsanov, Andrei S.; Mondal, Raju","Temperature-Induced Single-Crystal-to-Single-Crystal Transformations with Consequential Changes in the Magnetic Properties of Fe(III) Complexes.","ACS omega","2019","4","5","8731","8738","10.1021/acsomega.8b03400","","x-ray","0.71073","MoKα","","0.0472","0.0341","","","0.0786","0.0855","","","","","","1.08","","","","has coordinates","301843","2025-08-21","01:58:44",""
"4515001","9.2253","0.0003","15.0663","0.0004","18.0574","0.0011","90","","90","","90","","2509.82","0.19","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H22 Ag2 I4 N4 -","- C18 H22 Ag2 I4 N4 -","- C72 H88 Ag8 I16 N16 -","4","1","","Li, Yuan-Yuan; Wang, Fu-Rong; Li, Zi-Yan; Yan, Zhen-Ning; Niu, Yun-Yin","Assembly and Adsorption Properties of Seven Supramolecular Compounds with Heteromacrocycle Imidazolium.","ACS omega","2019","4","5","8926","8934","10.1021/acsomega.9b00669","","x-ray","0.71073","MoKα","","0.0538","0.0402","","","0.0517","0.0556","","","","","","0.986","","","","has coordinates","220149","2020-10-21","18:00:00",""
"4515002","22.6146","0.0004","11.5003","0.0002","23.0399","0.0004","90","","94.5111","0.0016","90","","5973.53","0.18","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H44 Ag7 I11 N8 -","- C36 H44 Ag7 I11 N8 -","- C144 H176 Ag28 I44 N32 -","4","1","","Li, Yuan-Yuan; Wang, Fu-Rong; Li, Zi-Yan; Yan, Zhen-Ning; Niu, Yun-Yin","Assembly and Adsorption Properties of Seven Supramolecular Compounds with Heteromacrocycle Imidazolium.","ACS omega","2019","4","5","8926","8934","10.1021/acsomega.9b00669","","x-ray","0.71073","MoKα","","0.0995","0.0686","","","0.1745","0.1984","","","","","","1.032","","","","has coordinates,has disorder","220149","2020-10-21","18:00:00",""
"4515003","11.5869","0.0003","13.6244","0.0008","17.7757","0.0006","70.132","0.005","80.175","0.003","75.172","0.004","2540.4","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H47 Ag3 I7 N9 -","- C38 H47 Ag3 I7 N9 -","- C76 H94 Ag6 I14 N18 -","2","1","","Li, Yuan-Yuan; Wang, Fu-Rong; Li, Zi-Yan; Yan, Zhen-Ning; Niu, Yun-Yin","Assembly and Adsorption Properties of Seven Supramolecular Compounds with Heteromacrocycle Imidazolium.","ACS omega","2019","4","5","8926","8934","10.1021/acsomega.9b00669","","x-ray","0.71073","MoKα","","0.0747","0.0405","","","0.0651","0.0683","","","","","","1.002","","","","has coordinates,has disorder","220149","2020-10-21","18:00:00",""
"4515004","11.8609","0.0005","12.0302","0.0006","12.3115","0.0005","118.515","0.005","101.244","0.004","106.977","0.004","1354.45","0.16","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H44 Bi2 I10 N8 -","- C36 H44 Bi2 I10 N8 -","- C36 H44 Bi2 I10 N8 -","1","0.5","","Li, Yuan-Yuan; Wang, Fu-Rong; Li, Zi-Yan; Yan, Zhen-Ning; Niu, Yun-Yin","Assembly and Adsorption Properties of Seven Supramolecular Compounds with Heteromacrocycle Imidazolium.","ACS omega","2019","4","5","8926","8934","10.1021/acsomega.9b00669","","x-ray","0.71073","MoKα","","0.06","0.0431","","","0.0939","0.1027","","","","","","1.026","","","","has coordinates","220149","2020-10-21","18:00:00",""
"4515005","9.9688","0.0006","11.3087","0.0008","14.0156","0.0011","106.012","0.007","102.632","0.006","104.851","0.006","1395","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H44 Bi2 I10 N8 -","- C36 H44 Bi2 I10 N8 -","- C36 H44 Bi2 I10 N8 -","1","0.5","","Li, Yuan-Yuan; Wang, Fu-Rong; Li, Zi-Yan; Yan, Zhen-Ning; Niu, Yun-Yin","Assembly and Adsorption Properties of Seven Supramolecular Compounds with Heteromacrocycle Imidazolium.","ACS omega","2019","4","5","8926","8934","10.1021/acsomega.9b00669","","x-ray","0.71073","MoKα","","0.1017","0.0526","","","0.0876","0.1091","","","","","","1.001","","","","has coordinates,has disorder","220149","2020-10-21","18:00:00",""
"4515006","10.4446","0.0006","22.4097","0.001","12.5907","0.0007","90","","114.216","0.007","90","","2687.7","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H44 Bi2 I10 N8 -","- C36 H44 Bi2 I10 N8 -","- C72 H88 Bi4 I20 N16 -","2","0.5","","Li, Yuan-Yuan; Wang, Fu-Rong; Li, Zi-Yan; Yan, Zhen-Ning; Niu, Yun-Yin","Assembly and Adsorption Properties of Seven Supramolecular Compounds with Heteromacrocycle Imidazolium.","ACS omega","2019","4","5","8926","8934","10.1021/acsomega.9b00669","","x-ray","0.71073","MoKα","","0.0797","0.0523","","","0.0958","0.1094","","","","","","1.018","","","","has coordinates","220149","2020-10-21","18:00:00",""
"4515007","9.8915","0.0008","22.0721","0.0012","12.3769","0.0013","90","","104.223","0.008","90","","2619.4","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H40 Hg2 I8 N8 -","- C36 H40 Hg2 I8 N8 -","- C72 H80 Hg4 I16 N16 -","2","0.5","","Li, Yuan-Yuan; Wang, Fu-Rong; Li, Zi-Yan; Yan, Zhen-Ning; Niu, Yun-Yin","Assembly and Adsorption Properties of Seven Supramolecular Compounds with Heteromacrocycle Imidazolium.","ACS omega","2019","4","5","8926","8934","10.1021/acsomega.9b00669","","x-ray","0.71073","MoKα","","0.1321","0.0636","","","0.129","0.1656","","","","","","1.01","","","","has coordinates,has disorder","220149","2020-10-21","18:00:00",""
"4515008","15.14","0.002","3.903","0.0005","18.3188","0.0017","90","","115.026","0.008","90","","980.9","0.2","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C29 H19 N3 -","- C29 H19 N3 -","- C58 H38 N6 -","2","0.5","","Chen, Zhicai; Li, Huanhuan; Tao, Ye; Chen, Lingfeng; Chen, Cailin; Jiang, He; Xu, Shen; Zhou, Xinhui; Chen, Runfeng; Huang, Wei","Tuning Intramolecular Conformation and Packing Mode of Host Materials through Noncovalent Interactions for High-Efficiency Blue Electrophosphorescence.","ACS omega","2019","4","5","9129","9134","10.1021/acsomega.9b00724","","","0.71073","MoKα","","0.0479","0.0448","","","0.1369","0.1416","","","","","","0.897","","","","has coordinates,has disorder","220150","2020-10-21","18:00:00",""
"4515009","10.7559","0.0008","13.2279","0.001","14.0925","0.0011","90","","90","","90","","2005.1","0.3","298","2","298.45","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C28 H18 N4 -","- C28 H18 N4 -","- C112 H72 N16 -","4","1","","Chen, Zhicai; Li, Huanhuan; Tao, Ye; Chen, Lingfeng; Chen, Cailin; Jiang, He; Xu, Shen; Zhou, Xinhui; Chen, Runfeng; Huang, Wei","Tuning Intramolecular Conformation and Packing Mode of Host Materials through Noncovalent Interactions for High-Efficiency Blue Electrophosphorescence.","ACS omega","2019","4","5","9129","9134","10.1021/acsomega.9b00724","","","0.71073","MoKα","","0.0792","0.0574","","","0.1354","0.1535","","","","","","1.088","","","","has coordinates","301843","2025-08-21","01:58:44",""
"4515010","15.16","0.013","3.84","0.003","18.267","0.016","90","","113.337","0.019","90","","976.4","1.4","295","2","295.55","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C28 H18 N4 -","- C28 H18 N4 -","- C56 H36 N8 -","2","0.5","","Chen, Zhicai; Li, Huanhuan; Tao, Ye; Chen, Lingfeng; Chen, Cailin; Jiang, He; Xu, Shen; Zhou, Xinhui; Chen, Runfeng; Huang, Wei","Tuning Intramolecular Conformation and Packing Mode of Host Materials through Noncovalent Interactions for High-Efficiency Blue Electrophosphorescence.","ACS omega","2019","4","5","9129","9134","10.1021/acsomega.9b00724","","","0.71073","MoKα","","0.0686","0.0559","","","0.1622","0.1798","","","","","","1.072","","","","has coordinates","301843","2025-08-21","01:58:44",""
"4515011","8.857","0.0003","10.9599","0.0003","11.6179","0.0004","95.609","0.002","94.007","0.002","91.988","0.002","1118.65","0.06","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C4 H17 N2 O8.5 P2 -","- C4 H17 N2 O8.5 P2 -","- C16 H68 N8 O34 P8 -","4","2","","Argüello-Velasco, Rubén Oswaldo; Dziuk, Błażej; Zarychta, Bartosz; Ordóñez, Mario; Kafarski, Paweł","Reactions of Piperazin-2-one, Morpholin-3-one, and Thiomorpholin-3-one with Triethyl Phosphite Prompted by Phosphoryl Chloride: Scope and Limitations.","ACS omega","2019","4","5","9056","9064","10.1021/acsomega.9b01137","","","0.71073","MoKα","","0.0806","0.0427","","","0.0826","0.0901","","","","","","0.916","","","","has coordinates","301843","2025-08-21","01:58:44",""
"4515012","7.9283","0.0006","8.0672","0.0004","8.2847","0.0005","98.88","0.005","99.85","0.006","97.871","0.006","508.5","0.06","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C4 H13 Cl N2 O6 P2 -","- C4 H13 Cl N2 O6 P2 -","- C8 H26 Cl2 N4 O12 P4 -","2","1","","Argüello-Velasco, Rubén Oswaldo; Dziuk, Błażej; Zarychta, Bartosz; Ordóñez, Mario; Kafarski, Paweł","Reactions of Piperazin-2-one, Morpholin-3-one, and Thiomorpholin-3-one with Triethyl Phosphite Prompted by Phosphoryl Chloride: Scope and Limitations.","ACS omega","2019","4","5","9056","9064","10.1021/acsomega.9b01137","","","0.71073","MoKα","","0.0648","0.0553","","","0.1491","0.1542","","","","","","1.088","","","","has coordinates","301843","2025-08-21","01:58:44",""
"4515013","10.112","0.003","10.087","0.003","12.908","0.003","90","","109.28","0.03","90","","1242.8","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H18 Cl2 N2 O3 -","- C6 H18 Cl2 N2 O3 -","- C24 H72 Cl8 N8 O12 -","4","1","","Argüello-Velasco, Rubén Oswaldo; Dziuk, Błażej; Zarychta, Bartosz; Ordóñez, Mario; Kafarski, Paweł","Reactions of Piperazin-2-one, Morpholin-3-one, and Thiomorpholin-3-one with Triethyl Phosphite Prompted by Phosphoryl Chloride: Scope and Limitations.","ACS omega","2019","4","5","9056","9064","10.1021/acsomega.9b01137","","","0.71073","MoKα","","0.1257","0.039","","","0.0601","0.0714","","","","","","0.645","","","","has coordinates,has disorder","220153","2020-10-21","18:00:00",""
"4515014","9.4026","0.0004","10.4466","0.0003","13.9332","0.0005","83.029","0.003","74.675","0.003","73.05","0.003","1261.13","0.08","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C22 H28 N3 O8 P S2 -","- C22 H28 N3 O8 P S2 -","- C44 H56 N6 O16 P2 S4 -","2","1","","Argüello-Velasco, Rubén Oswaldo; Dziuk, Błażej; Zarychta, Bartosz; Ordóñez, Mario; Kafarski, Paweł","Reactions of Piperazin-2-one, Morpholin-3-one, and Thiomorpholin-3-one with Triethyl Phosphite Prompted by Phosphoryl Chloride: Scope and Limitations.","ACS omega","2019","4","5","9056","9064","10.1021/acsomega.9b01137","","","0.71073","MoKα","","0.0684","0.0408","","","0.0875","0.0949","","","","","","0.951","","","","has coordinates","301843","2025-08-21","01:58:44",""
"4515015","27.5","0.002","6.4888","0.0005","18.2253","0.0013","90","","116.871","0.004","90","","2901","0.4","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C26 H44 Cl3 Cr N4 O2 -","- C26 H44 Cl3 Cr N4 O2 -","- C104 H176 Cl12 Cr4 N16 O8 -","4","0.5","","Huang, Po-Ju; Garcia, John V.; Fenwick, Aidan; Wu, Guang; Ford, Peter C.","Nitric Oxide Uncaging from a Hydrophobic Chromium(III) PhotoNORM: Visible and Near-Infrared Photochemistry in Biocompatible Polymer Disks.","ACS omega","2019","4","5","9181","9187","10.1021/acsomega.9b00592","","","0.71073","MoKα","","0.0775","0.0639","","","0.1361","0.1425","","","","","","1.147","","","","has coordinates","220154","2020-10-21","18:00:00",""
"4515016","9.1893","0.0011","11.7329","0.0014","15.259","0.002","80.745","0.004","73.03","0.004","79.087","0.004","1535.3","0.3","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C25 H38 B Cl2 Cr F4 N6 O4 -","- C25 H38 B Cl2 Cr F4 N6 O4 -","- C50 H76 B2 Cl4 Cr2 F8 N12 O8 -","2","1","","Huang, Po-Ju; Garcia, John V.; Fenwick, Aidan; Wu, Guang; Ford, Peter C.","Nitric Oxide Uncaging from a Hydrophobic Chromium(III) PhotoNORM: Visible and Near-Infrared Photochemistry in Biocompatible Polymer Disks.","ACS omega","2019","4","5","9181","9187","10.1021/acsomega.9b00592","","","0.71073","MoKα","","0.0762","0.0495","","","0.1204","0.1343","","","","","","1.043","","","","has coordinates","301843","2025-08-21","01:58:44",""
"4515017","12.8928","0.0011","12.8928","0.0011","13.1562","0.0014","90","","90","","120","","1893.9","0.3","100","2","100","2","","","","","","","","5","P 32 2 1","P 32 2""","154","","","","- C24 H36 Cl3 Cr N4 -","- C24 H36 Cl3 Cr N4 -","- C72 H108 Cl9 Cr3 N12 -","3","0.5","","Huang, Po-Ju; Garcia, John V.; Fenwick, Aidan; Wu, Guang; Ford, Peter C.","Nitric Oxide Uncaging from a Hydrophobic Chromium(III) PhotoNORM: Visible and Near-Infrared Photochemistry in Biocompatible Polymer Disks.","ACS omega","2019","4","5","9181","9187","10.1021/acsomega.9b00592","","","0.71073","MoKα","","0.0574","0.0473","","","0.119","0.125","","","","","","1.058","","","","has coordinates","220156","2020-10-21","18:00:00",""
"4515018","20.5213","0.0011","10.0563","0.0005","16.5578","0.0009","90","","102.033","0.005","90","","3341.9","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H20 N2 O4 -","- C17 H20 N2 O4 -","- C136 H160 N16 O32 -","8","2","","Tang, Ren-Jin; Retailleau, Pascal; Milcent, Thierry; Crousse, Benoit","Direct Amination of Arenes with Azodicarboxylates Catalyzed by Bisulfate Salt/HFIP Association.","ACS omega","2019","4","5","8960","8966","10.1021/acsomega.9b00781","","x-ray","0.71073","MoKα","","0.0943","0.0602","","","0.1436","0.1593","","","","","","1.022","","","","has coordinates,has disorder","301843","2025-08-21","01:58:44",""
"4515019","11.402","0.003","6.1909","0.0018","25.548","0.007","90","","101.426","0.01","90","","1767.7","0.8","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Novak BF317","","","- C10 H7 F6 I O6 S2 -","- C10 H7 F6 I O6 S2 -","- C40 H28 F24 I4 O24 S8 -","4","1","","Tóth, Balázs L; Béke, Ferenc; Egyed, Orsolya; Bényei, Attila; Stirling, András; Novák, Zoltán","Synthesis of Multifunctional Aryl(trifloxyalkenyl)iodonium Triflate Salts.","ACS omega","2019","4","5","9188","9197","10.1021/acsomega.9b00728","","","0.71073","MoKα","","0.0338","0.0292","","","0.0834","0.103","","","","","","1.128","","","","has coordinates","301843","2025-08-21","01:58:44",""
"4515020","11.491","0.003","8.9223","0.0019","21.3","0.004","90","","95.394","0.007","90","","2174.1","0.8","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Novak Z","","","- C14 H15 F6 I O6 S2 -","- C14 H15 F6 I O6 S2 -","- C56 H60 F24 I4 O24 S8 -","4","1","","Tóth, Balázs L; Béke, Ferenc; Egyed, Orsolya; Bényei, Attila; Stirling, András; Novák, Zoltán","Synthesis of Multifunctional Aryl(trifloxyalkenyl)iodonium Triflate Salts.","ACS omega","2019","4","5","9188","9197","10.1021/acsomega.9b00728","","","0.71073","MoKα","","0.0607","0.0525","","","0.151","0.1594","","","","","","1.004","","","","has coordinates","301843","2025-08-21","01:58:44",""
"4515021","8.105","0.002","12.148","0.004","12.29","0.004","89.296","0.011","82.761","0.011","84.798","0.01","1195.5","0.6","298","2","298","2","","","","","","","","6","P -1","-P 1","2","Novák Z BF291","","","- C16 H19 F6 I O6 S2 -","- C16 H19 F6 I O6 S2 -","- C32 H38 F12 I2 O12 S4 -","2","1","","Tóth, Balázs L; Béke, Ferenc; Egyed, Orsolya; Bényei, Attila; Stirling, András; Novák, Zoltán","Synthesis of Multifunctional Aryl(trifloxyalkenyl)iodonium Triflate Salts.","ACS omega","2019","4","5","9188","9197","10.1021/acsomega.9b00728","","","0.71073","MoKα","","0.0754","0.0605","","","0.1413","0.1703","","","","","","1.259","","","","has coordinates","301843","2025-08-21","01:58:44",""
"4515022","8.0462","0.0004","10.4191","0.0005","11.8606","0.0005","72.625","0.001","85.102","0.002","89.061","0.002","945.44","0.08","298","0.1","298","0.1","","","","","","","","7","P -1","-P 1","2","Novak","","","- C11 H8 Br F6 I O6 S2 -","- C11 H8 Br F6 I O6 S2 -","- C22 H16 Br2 F12 I2 O12 S4 -","2","1","","Tóth, Balázs L; Béke, Ferenc; Egyed, Orsolya; Bényei, Attila; Stirling, András; Novák, Zoltán","Synthesis of Multifunctional Aryl(trifloxyalkenyl)iodonium Triflate Salts.","ACS omega","2019","4","5","9188","9197","10.1021/acsomega.9b00728","","","0.71073","MoKα","","0.0305","0.0265","","","0.0678","0.0708","","","","","","0.997","","","","has coordinates","301843","2025-08-21","01:58:44",""
"4515023","10.9954","0.0003","8.8851","0.0003","22.5828","0.0008","90","","98.553","0.001","90","","2181.7","0.12","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Novak","","","- C16 H11 F6 I O6 S2 -","- C16 H11 F6 I O6 S2 -","- C64 H44 F24 I4 O24 S8 -","4","1","","Tóth, Balázs L; Béke, Ferenc; Egyed, Orsolya; Bényei, Attila; Stirling, András; Novák, Zoltán","Synthesis of Multifunctional Aryl(trifloxyalkenyl)iodonium Triflate Salts.","ACS omega","2019","4","5","9188","9197","10.1021/acsomega.9b00728","","","0.71073","MoKα","","0.0516","0.0469","","","0.1387","0.144","","","","","","1.063","","","","has coordinates","301843","2025-08-21","01:58:45",""
"4515024","6.315","0.0003","11.1616","0.0004","32.294","0.0016","90","","93.415","0.002","90","","2272.22","0.18","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Novak","","","- C17 H13 F6 I O6 S2 -","- C17 H13 F6 I O6 S2 -","- C68 H52 F24 I4 O24 S8 -","4","1","","Tóth, Balázs L; Béke, Ferenc; Egyed, Orsolya; Bényei, Attila; Stirling, András; Novák, Zoltán","Synthesis of Multifunctional Aryl(trifloxyalkenyl)iodonium Triflate Salts.","ACS omega","2019","4","5","9188","9197","10.1021/acsomega.9b00728","","","0.71073","MoKα","","0.0848","0.0673","","","0.1699","0.183","","","","","","1.048","","","","has coordinates","301843","2025-08-21","01:58:45",""
"4515025","9.3164","0.0002","7.3274","0.0002","10.8064","0.0003","90","","111.175","0.001","90","","687.89","0.03","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C6 H18 Cl2 O2 Pd2 S2 -","- C6 H18 Cl2 O2 Pd2 S2 -","- C12 H36 Cl4 O4 Pd4 S4 -","2","0.5","","Deshmukh, Satej S.; Gaikwad, Shahaji R.; Mote, Nilesh R.; M, Manod; Gonnade, Rajesh G.; Chikkali, Samir H.","Neutral Imino-Methyl Benzenesulfonate-Ligated Pd(II) Complexes and Implications in Ethylene Polymerization.","ACS omega","2019","4","5","9502","9511","10.1021/acsomega.9b00709","","","0.71073","MoKα","","0.0161","0.0158","","","0.0375","0.0376","","","","","","1.269","","","","has coordinates","220159","2020-10-21","18:00:00",""
"4515026","50.994","0.007","50.994","0.007","12.034","0.002","90","","90","","120","","27101","7","100","2","100","2","","","","","","","","4","P -3","-P 3","147","","","","- C174 H258 B9 N9 -","- C116.5 H120 B9 N9 -","- C699 H720 B54 N54 -","6","1","","Dosso, Jacopo; Marinelli, Davide; Demitri, Nicola; Bonifazi, Davide","Structural Properties of Highly Doped Borazino Polyphenylenes Obtained through Condensation Reaction.","ACS omega","2019","4","5","9343","9351","10.1021/acsomega.9b00830","","","0.7","Synchrotron","","0.1454","0.1044","","","0.251","0.2857","","","","","","1.016","","","","has coordinates,has disorder","220160","2020-10-21","18:00:00",""
"4515027","21.268","0.004","14.952","0.003","22.475","0.005","90","","90","","90","","7147","3","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C84 H90 B6 N6 -","- C84 H90 B6 N6 -","- C336 H360 B24 N24 -","4","0.5","","Dosso, Jacopo; Marinelli, Davide; Demitri, Nicola; Bonifazi, Davide","Structural Properties of Highly Doped Borazino Polyphenylenes Obtained through Condensation Reaction.","ACS omega","2019","4","5","9343","9351","10.1021/acsomega.9b00830","","","0.7","Synchrotron","","0.0539","0.0496","","","0.1429","0.1474","","","","","","1.03","","","","has coordinates","301843","2025-08-21","01:58:45",""
"4515028","18.861","0.004","22.39","0.004","14.82","0.003","90","","104.44","0.03","90","","6061","2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C70 H70 B6 N6 O -","- C70 H70 B6 N6 O -","- C280 H280 B24 N24 O4 -","4","1","","Dosso, Jacopo; Marinelli, Davide; Demitri, Nicola; Bonifazi, Davide","Structural Properties of Highly Doped Borazino Polyphenylenes Obtained through Condensation Reaction.","ACS omega","2019","4","5","9343","9351","10.1021/acsomega.9b00830","","","0.7","Synchrotron","","0.176","0.072","","","0.1693","0.2255","","","","","","0.983","","","","has coordinates","301843","2025-08-21","01:58:45",""
"4515029","12.091","0.002","21.639","0.004","13.768","0.003","90","","101.26","0.03","90","","3532.9","1.2","100","2","100","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C42 H42 B3 N3 -","- C42 H42 B3 N3 -","- C168 H168 B12 N12 -","4","1","","Dosso, Jacopo; Marinelli, Davide; Demitri, Nicola; Bonifazi, Davide","Structural Properties of Highly Doped Borazino Polyphenylenes Obtained through Condensation Reaction.","ACS omega","2019","4","5","9343","9351","10.1021/acsomega.9b00830","","","0.7","Synchrotron","","0.0325","0.0325","","","0.0898","0.0899","","","","","","1.039","","","","has coordinates","301843","2025-08-21","01:58:45",""
"4515030","11.35","0.002","16.679","0.003","32.207","0.006","90","","99.29","0.03","90","","6017","2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C70 H70 B6 N6 O -","- C70 H70 B6 N6 O -","- C280 H280 B24 N24 O4 -","4","1","","Dosso, Jacopo; Marinelli, Davide; Demitri, Nicola; Bonifazi, Davide","Structural Properties of Highly Doped Borazino Polyphenylenes Obtained through Condensation Reaction.","ACS omega","2019","4","5","9343","9351","10.1021/acsomega.9b00830","","","0.7","Synchrotron","","0.1497","0.0675","","","0.1453","0.1813","","","","","","1.007","","","","has coordinates","301843","2025-08-21","01:58:45",""
"4515031","12.472","0.003","15.108","0.003","19.725","0.004","80.08","0.03","75.32","0.03","68.48","0.03","3331.7","1.5","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C78 H78 B6 N6 -","- C78 H78 B6 N6 -","- C156 H156 B12 N12 -","2","1","","Dosso, Jacopo; Marinelli, Davide; Demitri, Nicola; Bonifazi, Davide","Structural Properties of Highly Doped Borazino Polyphenylenes Obtained through Condensation Reaction.","ACS omega","2019","4","5","9343","9351","10.1021/acsomega.9b00830","","","0.7","Synchrotron","","0.0729","0.0615","","","0.1748","0.1866","","","","","","1.067","","","","has coordinates,has disorder","301843","2025-08-21","01:58:45",""
"4515032","12.3474","0.0007","19.7123","0.001","13.7256","0.0006","90","","99.325","0.002","90","","3296.6","0.3","173","2","173.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C54 H74 F12 N6 O P2 -","- C54 H74 F12 N6 O P2 -","- C108 H148 F24 N12 O2 P4 -","2","0.5","","Tolley, Lewis C.; Strydom, Ian; Louw, Wynand J.; Fernandes, Manuel A.; Bezuidenhout, Daniela I.; Guisado-Barrios, Gregorio","Diverse Coordination Modes of Bidentate COC and Tridentate CNC Ligands Comprising 1,2,3-Triazol-5-ylidenes","ACS Omega","2019","4","4","6360","","10.1021/acsomega.9b00514","","","0.71073","MoKα","","0.0952","0.0829","","","0.2153","0.2246","","","","","","1.121","","","","has coordinates,has disorder","220166","2020-10-21","18:00:00",""
"4515033","19.8012","0.0013","12.6035","0.0009","26.5305","0.0019","90","","105.7","0.0018","90","","6374.1","0.8","173","2","173.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C59 H85 F12 N7 O3 P2 -","- C59 H85 F12 N7 O3 P2 -","- C236 H340 F48 N28 O12 P8 -","4","1","","Tolley, Lewis C.; Strydom, Ian; Louw, Wynand J.; Fernandes, Manuel A.; Bezuidenhout, Daniela I.; Guisado-Barrios, Gregorio","Diverse Coordination Modes of Bidentate COC and Tridentate CNC Ligands Comprising 1,2,3-Triazol-5-ylidenes","ACS Omega","2019","4","4","6360","","10.1021/acsomega.9b00514","","","0.71073","MoKα","","0.0963","0.0619","","","0.1362","0.1552","","","","","","1.015","","","","has coordinates,has disorder","301843","2025-08-21","01:58:45",""
"4515034","11.0352","0.0002","12.3798","0.0002","24.369","0.0004","81.385","0.001","89.281","0.001","65.535","0.001","2991.51","0.09","173","2","173.15","","","","","","","","","5","P -1","-P 1","2","","","","- C56 H78 F12 N8 P2 -","- C56 H78 F12 N8 P2 -","- C112 H156 F24 N16 P4 -","2","1","","Tolley, Lewis C.; Strydom, Ian; Louw, Wynand J.; Fernandes, Manuel A.; Bezuidenhout, Daniela I.; Guisado-Barrios, Gregorio","Diverse Coordination Modes of Bidentate COC and Tridentate CNC Ligands Comprising 1,2,3-Triazol-5-ylidenes","ACS Omega","2019","4","4","6360","","10.1021/acsomega.9b00514","","","0.71073","MoKα","","0.0642","0.0443","","","0.1131","0.1226","","","","","","1.056","","","","has coordinates,has disorder","301843","2025-08-21","01:58:45",""
"4515035","15.0178","0.0009","15.1067","0.0009","18.2934","0.001","76.729","0.003","69.064","0.003","65.711","0.003","3516.4","0.4","173","2","173.15","","","","","","","","","8","P -1","-P 1","2","","","","- C65 H90 Cl6 F6 Ir N6 O P -","- C65 H90 Cl6 F6 Ir N6 O P -","- C130 H180 Cl12 F12 Ir2 N12 O2 P2 -","2","1","","Tolley, Lewis C.; Strydom, Ian; Louw, Wynand J.; Fernandes, Manuel A.; Bezuidenhout, Daniela I.; Guisado-Barrios, Gregorio","Diverse Coordination Modes of Bidentate COC and Tridentate CNC Ligands Comprising 1,2,3-Triazol-5-ylidenes","ACS Omega","2019","4","4","6360","","10.1021/acsomega.9b00514","","","0.71073","MoKα","","0.032","0.0264","","","0.0658","0.0687","","","","","","1.071","","","","has coordinates,has disorder","220166","2020-10-21","18:00:00",""
"4515036","21.5202","0.0011","10.7072","0.0005","24.894","0.0013","90","","105.722","0.002","90","","5521.5","0.5","150","2","150","","","","","","","","","7","P 1 c 1","P -2yc","7","","","","- C56 H72 F6 N6 O3 P Rh -","- C56 H72 F6 N6 O3 P Rh -","- C224 H288 F24 N24 O12 P4 Rh4 -","4","2","","Tolley, Lewis C.; Strydom, Ian; Louw, Wynand J.; Fernandes, Manuel A.; Bezuidenhout, Daniela I.; Guisado-Barrios, Gregorio","Diverse Coordination Modes of Bidentate COC and Tridentate CNC Ligands Comprising 1,2,3-Triazol-5-ylidenes","ACS Omega","2019","4","4","6360","","10.1021/acsomega.9b00514","","","0.71073","MoKα","","0.0399","0.0313","","","0.0617","0.0643","","","","","","1.038","","","","has coordinates,has disorder","220166","2020-10-21","18:00:00",""
"4515037","21.527","0.003","10.6934","0.0014","24.942","0.003","90","","105.386","0.009","90","","5535.8","1.3","150","2","150.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C56 H72 F6 Ir N6 O3 P -","- C56 H72 F6 Ir N6 O3 P -","- C224 H288 F24 Ir4 N24 O12 P4 -","4","1","","Tolley, Lewis C.; Strydom, Ian; Louw, Wynand J.; Fernandes, Manuel A.; Bezuidenhout, Daniela I.; Guisado-Barrios, Gregorio","Diverse Coordination Modes of Bidentate COC and Tridentate CNC Ligands Comprising 1,2,3-Triazol-5-ylidenes","ACS Omega","2019","4","4","6360","","10.1021/acsomega.9b00514","","","0.71073","MoKα","","0.3107","0.0895","","","0.1416","0.1964","","","","","","0.852","","","","has coordinates","220166","2020-10-21","18:00:00",""
"4515038","15.413","0.0008","35.913","0.002","15.0642","0.0008","90","","111.613","0.001","90","","7752.2","0.7","173","2","173.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C71 H98 Cl4 N6 O Rh2 -","- C71 H98 Cl4 N6 O Rh2 -","- C284 H392 Cl16 N24 O4 Rh8 -","4","1","","Tolley, Lewis C.; Strydom, Ian; Louw, Wynand J.; Fernandes, Manuel A.; Bezuidenhout, Daniela I.; Guisado-Barrios, Gregorio","Diverse Coordination Modes of Bidentate COC and Tridentate CNC Ligands Comprising 1,2,3-Triazol-5-ylidenes","ACS Omega","2019","4","4","6360","","10.1021/acsomega.9b00514","","","0.71073","MoKα","","0.0512","0.0411","","","0.0925","0.0968","","","","","","1.086","","","","has coordinates","220166","2020-10-21","18:00:00",""
"4515039","10.4449","0.0004","15.9061","0.0006","17.7631","0.0007","87.305","0.002","76.657","0.002","88.373","0.002","2867.81","0.19","173","2","173.15","","","","","","","","","6","P -1","-P 1","2","","","","- C58 H72 Cl2 N6 O5 Rh2 -","- C58 H72 Cl2 N6 O5 Rh2 -","- C116 H144 Cl4 N12 O10 Rh4 -","2","1","","Tolley, Lewis C.; Strydom, Ian; Louw, Wynand J.; Fernandes, Manuel A.; Bezuidenhout, Daniela I.; Guisado-Barrios, Gregorio","Diverse Coordination Modes of Bidentate COC and Tridentate CNC Ligands Comprising 1,2,3-Triazol-5-ylidenes","ACS Omega","2019","4","4","6360","","10.1021/acsomega.9b00514","","","0.71073","MoKα","","0.1187","0.0568","","","0.1161","0.1402","","","","","","1.023","","","","has coordinates","220166","2020-10-21","18:00:00",""
"4515040","12.4173","0.0011","16.7357","0.0016","20.3867","0.0018","81.88","0.006","85.642","0.006","86.607","0.006","4177","0.7","173","2","173.15","","","","","","","","","7","P -1","-P 1","2","","","","- C73 H102 Cl6 F6 N7 P Rh2 -","- C73 H102 Cl6 F6 N7 P Rh2 -","- C146 H204 Cl12 F12 N14 P2 Rh4 -","2","1","","Tolley, Lewis C.; Strydom, Ian; Louw, Wynand J.; Fernandes, Manuel A.; Bezuidenhout, Daniela I.; Guisado-Barrios, Gregorio","Diverse Coordination Modes of Bidentate COC and Tridentate CNC Ligands Comprising 1,2,3-Triazol-5-ylidenes","ACS Omega","2019","4","4","6360","","10.1021/acsomega.9b00514","","","0.71073","MoKα","","0.1569","0.104","","","0.2426","0.2779","","","","","","1.141","","","","has coordinates","220166","2020-10-21","18:00:00",""
"4515041","12.0336","0.0007","13.6319","0.0009","22.5444","0.0015","96.465","0.005","104.14","0.004","97.574","0.004","3514.3","0.4","173","2","173.15","","","","","","","","","8","P -1","-P 1","2","","","","- C58 H77 Cl4 F6 Ir N7 O2 P -","- C58 H77 Cl4 F6 Ir N7 O2 P -","- C116 H154 Cl8 F12 Ir2 N14 O4 P2 -","2","1","","Tolley, Lewis C.; Strydom, Ian; Louw, Wynand J.; Fernandes, Manuel A.; Bezuidenhout, Daniela I.; Guisado-Barrios, Gregorio","Diverse Coordination Modes of Bidentate COC and Tridentate CNC Ligands Comprising 1,2,3-Triazol-5-ylidenes","ACS Omega","2019","4","4","6360","","10.1021/acsomega.9b00514","","","0.71073","MoKα","","0.1228","0.077","","","0.1664","0.1845","","","","","","0.995","","","","has coordinates","220166","2020-10-21","18:00:00",""
"4515042","10.7323","0.0018","13.222","0.002","21.491","0.003","82.115","0.003","78.984","0.004","86.235","0.003","2962.7","0.8","173","2","173.15","","","","","","","","","6","P -1","-P 1","2","","","","- C57 H72 Cl N7 O3 Rh2 -","- C57 H72 Cl N7 O3 Rh2 -","- C114 H144 Cl2 N14 O6 Rh4 -","2","1","","Tolley, Lewis C.; Strydom, Ian; Louw, Wynand J.; Fernandes, Manuel A.; Bezuidenhout, Daniela I.; Guisado-Barrios, Gregorio","Diverse Coordination Modes of Bidentate COC and Tridentate CNC Ligands Comprising 1,2,3-Triazol-5-ylidenes","ACS Omega","2019","4","4","6360","","10.1021/acsomega.9b00514","","","0.71073","MoKα","","0.1589","0.0758","","","0.1867","0.2273","","","","","","0.96","","","","has coordinates","220166","2020-10-21","18:00:00",""
"4515043","7.2398","0.0018","8.637","0.002","16.178","0.005","90","","90","","90","","1011.6","0.5","173","1","173","1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C8 H15 Cl N O2 S -","- C8 H16 Cl N O2 S -","- C32 H64 Cl4 N4 O8 S4 -","4","1","","Melnykov, Kostiantyn P.; Artemenko, Artem N.; Ivanenko, Bohdan O.; Sokolenko, Yevhenii M.; Nosik, Pavel S.; Ostapchuk, Eugeniy N.; Grygorenko, Oleksandr O.; Volochnyuk, Dmitriy M.; Ryabukhin, Sergey V.","Scalable Synthesis of Biologically Relevant Spirocyclic Pyrrolidines.","ACS omega","2019","4","4","7498","7515","10.1021/acsomega.9b00896","","","0.71073","MoKα","","0.045","0.0363","","","0.0801","0.084","","","","","","1.061","","","","has coordinates","220167","2020-10-21","18:00:00",""
"4515044","3.7495","0.0008","12.724","0.002","11.322","0.0018","90","","93.668","0.005","90","","539.05","0.17","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C5 H4 Cl Cu N -","- C5 H4 Cl Cu N -","- C20 H16 Cl4 Cu4 N4 -","4","1","","Ahamad, M. Naqi; Shahid, M.; Ahmad, Musheer; Sama, Farasha","Cu(II) MOFs Based on Bipyridyls: Topology, Magnetism, and Exploring Sensing Ability toward Multiple Nitroaromatic Explosives.","ACS omega","2019","4","4","7738","7749","10.1021/acsomega.9b00715","","","0.71073","MoKα","","0.0957","0.058","","","0.0905","0.1061","","","","","","1.11","","","","has coordinates","220168","2020-10-21","18:00:00",""
"4515045","22.193","0.004","18.278","0.003","34.743","0.006","90","","96.765","0.003","90","","13995","4","93","2","93","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C144 H120 Au8 Cl3 Cu2 P8 Pd -","- C144 H120 Au8.316 Cl3 Cu1.684 P8 Pd -","- C576 H480 Au33.264 Cl12 Cu6.736 P32 Pd4 -","4","1","","Hirai, Haru; Takano, Shinjiro; Tsukuda, Tatsuya","Synthesis of Trimetallic (HPd@M<sub>2</sub>Au<sub>8</sub>)<sup>3+</sup> Superatoms (M = Ag, Cu) via Hydride-Mediated Regioselective Doping to (Pd@Au<sub>8</sub>)<sup>2</sup>.","ACS omega","2019","4","4","7070","7075","10.1021/acsomega.9b00575","","","0.71075","MoKα","","0.1177","0.1013","","","0.1717","0.1788","","","","","","1.244","","","","has coordinates,has disorder","220169","2020-10-21","18:00:00",""
"4515046","22.158","0.003","18.75","0.002","34.486","0.005","90","","97.785","0.003","90","","14196","3","93","2","93","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C150 H134 Ag2 Au8 Cl2 O P8 Pd -","- C150 H134 Ag2 Au8 Cl2 O P8 Pd -","- C600 H536 Ag8 Au32 Cl8 O4 P32 Pd4 -","4","1","","Hirai, Haru; Takano, Shinjiro; Tsukuda, Tatsuya","Synthesis of Trimetallic (HPd@M<sub>2</sub>Au<sub>8</sub>)<sup>3+</sup> Superatoms (M = Ag, Cu) via Hydride-Mediated Regioselective Doping to (Pd@Au<sub>8</sub>)<sup>2</sup>.","ACS omega","2019","4","4","7070","7075","10.1021/acsomega.9b00575","","","0.71075","MoKα","","0.0965","0.0899","","","0.1626","0.1656","","","","","","1.283","","","","has coordinates","220170","2020-10-21","18:00:00",""
"4515047","7.331","0.002","8.111","0.002","14.229","0.004","92.899","0.003","101.046","0.003","105.36","0.003","796.1","0.4","110","","110","","","","","","","","","6","P -1","-P 1","2","","","","- C18 H12 Cl2 N2 O S -","- C18 H12 Cl2 N2 O S -","- C36 H24 Cl4 N4 O2 S2 -","2","1","","Swaminathan, Srividya; Haribabu, Jebiti; Kalagatur, Naveen Kumar; Konakanchi, Ramaiah; Balakrishnan, Nithya; Bhuvanesh, Nattamai; Karvembu, Ramasamy","Synthesis and Anticancer Activity of [RuCl<sub>2</sub>(η<sup>6</sup>-arene)(aroylthiourea)] Complexes-High Activity against the Human Neuroblastoma (IMR-32) Cancer Cell Line.","ACS omega","2019","4","4","6245","6256","10.1021/acsomega.9b00349","","","0.71073","MoKα","","0.0352","0.0303","","","0.0763","0.0791","","","","","","1.061","","","","has coordinates","301843","2025-08-21","01:58:45",""
"4515048","39.025","0.002","6.8024","0.0004","17.5294","0.0009","90","","115.896","0.002","90","","4186.2","0.4","110","","110","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C20 H16 Cl4 N2 O Ru S -","- C20 H16 Cl4 N2 O Ru S -","- C160 H128 Cl32 N16 O8 Ru8 S8 -","8","1","","Swaminathan, Srividya; Haribabu, Jebiti; Kalagatur, Naveen Kumar; Konakanchi, Ramaiah; Balakrishnan, Nithya; Bhuvanesh, Nattamai; Karvembu, Ramasamy","Synthesis and Anticancer Activity of [RuCl<sub>2</sub>(η<sup>6</sup>-arene)(aroylthiourea)] Complexes-High Activity against the Human Neuroblastoma (IMR-32) Cancer Cell Line.","ACS omega","2019","4","4","6245","6256","10.1021/acsomega.9b00349","","","0.71073","MoKα","","0.0543","0.0331","","","0.0515","0.056","","","","","","1.044","","","","has coordinates","220172","2020-10-21","18:00:00",""
"4515049","7.918","0.003","13.73","0.005","14.053","0.005","108.379","0.004","90.953","0.004","101.229","0.004","1417.1","0.9","110","","110","","","","","","","","","6","P -1","-P 1","2","","","","- C14 H10 Cl2 N2 O S -","- C14 H10 Cl2 N2 O S -","- C56 H40 Cl8 N8 O4 S4 -","4","2","","Swaminathan, Srividya; Haribabu, Jebiti; Kalagatur, Naveen Kumar; Konakanchi, Ramaiah; Balakrishnan, Nithya; Bhuvanesh, Nattamai; Karvembu, Ramasamy","Synthesis and Anticancer Activity of [RuCl<sub>2</sub>(η<sup>6</sup>-arene)(aroylthiourea)] Complexes-High Activity against the Human Neuroblastoma (IMR-32) Cancer Cell Line.","ACS omega","2019","4","4","6245","6256","10.1021/acsomega.9b00349","","","0.71073","MoKα","","0.0561","0.043","","","0.112","0.1199","","","","","","1.041","","","","has coordinates,has disorder","301843","2025-08-21","01:58:45",""
"4515050","29.863","0.004","11.7859","0.0016","13.9091","0.0019","90","","95.522","0.001","90","","4872.8","1.1","110.15","","110.15","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C25 H28 Cl2 N2 O Ru S -","- C25 H28 Cl2 N2 O Ru S -","- C200 H224 Cl16 N16 O8 Ru8 S8 -","8","1","","Swaminathan, Srividya; Haribabu, Jebiti; Kalagatur, Naveen Kumar; Konakanchi, Ramaiah; Balakrishnan, Nithya; Bhuvanesh, Nattamai; Karvembu, Ramasamy","Synthesis and Anticancer Activity of [RuCl<sub>2</sub>(η<sup>6</sup>-arene)(aroylthiourea)] Complexes-High Activity against the Human Neuroblastoma (IMR-32) Cancer Cell Line.","ACS omega","2019","4","4","6245","6256","10.1021/acsomega.9b00349","","","0.71073","MoKα","","0.0257","0.0229","","","0.0531","0.0543","","","","","","1.07","","","","has coordinates","220174","2020-10-21","18:00:00",""
"4515051","9.5","0.003","10.392","0.004","12.824","0.004","83.576","0.003","89.925","0.003","83.78","0.004","1250.6","0.7","110.15","","110.15","","","","","","","","","7","P -1","-P 1","2","","","","- C24 H24 Cl4 N2 O Ru S -","- C24 H24 Cl4 N2 O Ru S -","- C48 H48 Cl8 N4 O2 Ru2 S2 -","2","1","","Swaminathan, Srividya; Haribabu, Jebiti; Kalagatur, Naveen Kumar; Konakanchi, Ramaiah; Balakrishnan, Nithya; Bhuvanesh, Nattamai; Karvembu, Ramasamy","Synthesis and Anticancer Activity of [RuCl<sub>2</sub>(η<sup>6</sup>-arene)(aroylthiourea)] Complexes-High Activity against the Human Neuroblastoma (IMR-32) Cancer Cell Line.","ACS omega","2019","4","4","6245","6256","10.1021/acsomega.9b00349","","","0.71073","MoKα","","0.0281","0.0239","","","0.0546","0.0565","","","","","","1.025","","","","has coordinates","220175","2020-10-21","18:00:00",""
"4515052","6.6357","0.0003","11.8488","0.0005","15.8163","0.0007","87.1","0.001","79.512","0.001","77.67","0.001","1194.49","0.09","110","","110","","","","","","","","","7","P -1","-P 1","2","","","","- C24 H18 Cl4 N2 O Ru S -","- C24 H18 Cl4 N2 O Ru S -","- C48 H36 Cl8 N4 O2 Ru2 S2 -","2","1","","Swaminathan, Srividya; Haribabu, Jebiti; Kalagatur, Naveen Kumar; Konakanchi, Ramaiah; Balakrishnan, Nithya; Bhuvanesh, Nattamai; Karvembu, Ramasamy","Synthesis and Anticancer Activity of [RuCl<sub>2</sub>(η<sup>6</sup>-arene)(aroylthiourea)] Complexes-High Activity against the Human Neuroblastoma (IMR-32) Cancer Cell Line.","ACS omega","2019","4","4","6245","6256","10.1021/acsomega.9b00349","","","0.71073","MoKα","","0.052","0.0341","","","0.0577","0.0617","","","","","","1.052","","","","has coordinates,has disorder","220176","2020-10-21","18:00:00",""
"4515053","9.5499","0.0006","11.1471","0.0006","12.2998","0.0007","84.351","0.002","82.004","0.002","82.92","0.002","1282.33","0.13","144","","144","","","","","","","","","7","P -1","-P 1","2","","","","- C28 H28 Cl2 N2 O Ru S -","- C28 H28 Cl2 N2 O Ru S -","- C56 H56 Cl4 N4 O2 Ru2 S2 -","2","1","","Swaminathan, Srividya; Haribabu, Jebiti; Kalagatur, Naveen Kumar; Konakanchi, Ramaiah; Balakrishnan, Nithya; Bhuvanesh, Nattamai; Karvembu, Ramasamy","Synthesis and Anticancer Activity of [RuCl<sub>2</sub>(η<sup>6</sup>-arene)(aroylthiourea)] Complexes-High Activity against the Human Neuroblastoma (IMR-32) Cancer Cell Line.","ACS omega","2019","4","4","6245","6256","10.1021/acsomega.9b00349","","","1.54178","CuKα","","0.0271","0.0256","","","0.063","0.0638","","","","","","1.088","","","","has coordinates,has disorder","220177","2020-10-21","18:00:00",""
"4515054","7.2408","0.0002","24.7912","0.0006","8.5046","0.0002","90","","109.173","0.002","90","","1441.96","0.07","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Hamada_CNA_27_10_13","","","- C15 H12 Cl N5 -","- C15 H12 Cl N5 -","- C60 H48 Cl4 N20 -","4","1","","Ibrahim, Hamada Mohamed; Behbehani, Haider; Mostafa, Noha S.","Scalable Sonochemical Synthetic Strategy for Pyrazolo[1,5-<i>a</i>]pyridine Derivatives: First Catalyst-Free Concerted [3 + 2] Cycloaddition of Alkyne and Alkene Derivatives to 2-Imino-1<i>H</i>-pyridin-1-amines.","ACS omega","2019","4","4","7182","7193","10.1021/acsomega.9b00562","","","1.54178","CuKα","","0.0574","0.0439","","","0.1185","0.1283","","","","","","1.019","","","","has coordinates","301843","2025-08-21","01:58:45",""
"4515055","7.1549","0.0012","15.769","0.003","19.04","0.004","66.725","0.005","83.623","0.006","82.812","0.006","1953.4","0.6","293","","293","","","","","","","","","5","P -1","-P 1","2","","","","- C20 H17 Cl N4 O4 -","- C20 H17 Cl N4 O4 -","- C80 H68 Cl4 N16 O16 -","4","2","","Ibrahim, Hamada Mohamed; Behbehani, Haider; Mostafa, Noha S.","Scalable Sonochemical Synthetic Strategy for Pyrazolo[1,5-<i>a</i>]pyridine Derivatives: First Catalyst-Free Concerted [3 + 2] Cycloaddition of Alkyne and Alkene Derivatives to 2-Imino-1<i>H</i>-pyridin-1-amines.","ACS omega","2019","4","4","7182","7193","10.1021/acsomega.9b00562","","","0.71075","MoKα","","","0.0927","","","","0.2481","","","","","","0.992","","","","has coordinates","301843","2025-08-21","01:58:45",""
"4515056","11.135","0.002","8.106","0.0014","22.476","0.004","90","","97.338","0.009","90","","2012.1","0.6","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","GH9_260813","","","- C19 H19 N5 O5 S -","- C19 H19 N5 O5 S -","- C76 H76 N20 O20 S4 -","4","1","","Ibrahim, Hamada Mohamed; Behbehani, Haider; Mostafa, Noha S.","Scalable Sonochemical Synthetic Strategy for Pyrazolo[1,5-<i>a</i>]pyridine Derivatives: First Catalyst-Free Concerted [3 + 2] Cycloaddition of Alkyne and Alkene Derivatives to 2-Imino-1<i>H</i>-pyridin-1-amines.","ACS omega","2019","4","4","7182","7193","10.1021/acsomega.9b00562","","","1.54178","CuKα","","0.1443","0.0628","","","0.1888","0.2221","","","","","","1.125","","","","has coordinates,has disorder","301843","2025-08-21","01:58:45",""
"4515057","11.251","0.002","10.0262","0.0018","17.905","0.004","90","","90.013","0.007","90","","2019.8","0.7","293","","293","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H20 N4 O5 -","- C21 H20 N4 O5 -","- C84 H80 N16 O20 -","4","1","","Ibrahim, Hamada Mohamed; Behbehani, Haider; Mostafa, Noha S.","Scalable Sonochemical Synthetic Strategy for Pyrazolo[1,5-<i>a</i>]pyridine Derivatives: First Catalyst-Free Concerted [3 + 2] Cycloaddition of Alkyne and Alkene Derivatives to 2-Imino-1<i>H</i>-pyridin-1-amines.","ACS omega","2019","4","4","7182","7193","10.1021/acsomega.9b00562","","","0.71075","MoKα","","","0.0518","","","","0.1411","","","","","","0.874","","","","has coordinates","301843","2025-08-21","01:58:45",""
"4515058","14.5029","0.0011","19.4679","0.0018","7.1357","0.0007","90","","97.882","0.006","90","","1995.7","0.3","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H17 N5 O6 -","- C20 H17 N5 O6 -","- C80 H68 N20 O24 -","4","1","","Ibrahim, Hamada Mohamed; Behbehani, Haider; Mostafa, Noha S.","Scalable Sonochemical Synthetic Strategy for Pyrazolo[1,5-<i>a</i>]pyridine Derivatives: First Catalyst-Free Concerted [3 + 2] Cycloaddition of Alkyne and Alkene Derivatives to 2-Imino-1<i>H</i>-pyridin-1-amines.","ACS omega","2019","4","4","7182","7193","10.1021/acsomega.9b00562","","","0.71075","MoKα","","","0.0822","","","","0.2807","","","","","","0.984","","","","has coordinates","301843","2025-08-21","01:58:45",""
"4515059","6.54","0.0004","10.7434","0.0006","13.3014","0.0009","90.105","0.005","92.035","0.005","100.717","0.006","917.67","0.1","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C7 H15 N8 O13 Tb -","- C7 H15 N8 O13 Tb -","- C14 H30 N16 O26 Tb2 -","2","1","","Cai, Li-Zhen; Chen, Xiang-Yi; Wang, Ming-Sheng; Guo, Guo-Cong","Photochromic Lanthanide(III) Materials with Ion Sensing Based on Pyridinium Tetrazolate Zwitterion.","ACS omega","2019","4","4","7492","7497","10.1021/acsomega.8b03662","","","0.71073","MoKα","","0.03","0.028","","","0.0753","0.0764","","","","","","1.019","","","","has coordinates","301843","2025-08-21","01:58:45",""
"4515060","6.5414","0.0011","10.746","0.002","13.302","0.003","89.926","0.006","87.641","0.006","79.309","0.005","918","0.3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C7 H15 Gd N8 O13 -","- C7 H15 Gd N8 O13 -","- C14 H30 Gd2 N16 O26 -","2","1","","Cai, Li-Zhen; Chen, Xiang-Yi; Wang, Ming-Sheng; Guo, Guo-Cong","Photochromic Lanthanide(III) Materials with Ion Sensing Based on Pyridinium Tetrazolate Zwitterion.","ACS omega","2019","4","4","7492","7497","10.1021/acsomega.8b03662","","","0.71073","MoKα","","0.0169","0.0153","","","0.0367","0.0369","","","","","","1.04","","","","has coordinates","301843","2025-08-21","01:58:45",""
"4515061","6.5293","0.0004","10.7441","0.0004","13.2901","0.0007","89.987","0.004","87.86","0.005","79.349","0.005","915.6","0.08","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C7 H15 Dy N8 O13 -","- C7 H15 Dy N8 O13 -","- C14 H30 Dy2 N16 O26 -","2","1","","Cai, Li-Zhen; Chen, Xiang-Yi; Wang, Ming-Sheng; Guo, Guo-Cong","Photochromic Lanthanide(III) Materials with Ion Sensing Based on Pyridinium Tetrazolate Zwitterion.","ACS omega","2019","4","4","7492","7497","10.1021/acsomega.8b03662","","","0.71073","MoKα","","0.0455","0.0423","","","0.1025","0.1057","","","","","","1.052","","","","has coordinates","301843","2025-08-21","01:58:45",""
"4515062","6.6352","0.0018","10.771","0.003","13.383","0.004","89.809","0.009","87.715","0.001","79.028","0.008","938.2","0.5","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C7 H15 N8 O13 Pr -","- C7 H15 N8 O13 Pr -","- C14 H30 N16 O26 Pr2 -","2","1","","Cai, Li-Zhen; Chen, Xiang-Yi; Wang, Ming-Sheng; Guo, Guo-Cong","Photochromic Lanthanide(III) Materials with Ion Sensing Based on Pyridinium Tetrazolate Zwitterion.","ACS omega","2019","4","4","7492","7497","10.1021/acsomega.8b03662","","","0.71073","MoKα","","0.0183","0.0169","","","0.0435","0.0438","","","","","","1.017","","","","has coordinates","301843","2025-08-21","01:58:45",""
"4515063","6.6949","0.0018","10.801","0.003","13.373","0.004","89.381","0.012","87.634","0.012","78.951","0.009","948.3","0.5","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C7 H15 La N8 O13 -","- C7 H15 La N8 O13 -","- C14 H30 La2 N16 O26 -","2","1","","Cai, Li-Zhen; Chen, Xiang-Yi; Wang, Ming-Sheng; Guo, Guo-Cong","Photochromic Lanthanide(III) Materials with Ion Sensing Based on Pyridinium Tetrazolate Zwitterion.","ACS omega","2019","4","4","7492","7497","10.1021/acsomega.8b03662","","","0.71073","MoKα","","0.0361","0.0256","","","0.0523","0.0546","","","","","","1.005","","","","has coordinates","301843","2025-08-21","01:58:45",""
"4515064","6.6163","0.0014","10.768","0.002","13.358","0.003","89.828","0.006","87.666","0.007","79.148","0.007","933.9","0.3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C7 H15 N8 Nd O13 -","- C7 H15 N8 Nd O13 -","- C14 H30 N16 Nd2 O26 -","2","1","","Cai, Li-Zhen; Chen, Xiang-Yi; Wang, Ming-Sheng; Guo, Guo-Cong","Photochromic Lanthanide(III) Materials with Ion Sensing Based on Pyridinium Tetrazolate Zwitterion.","ACS omega","2019","4","4","7492","7497","10.1021/acsomega.8b03662","","","0.71073","MoKα","","0.0175","0.0158","","","0.0406","0.0409","","","","","","1.03","","","","has coordinates","301843","2025-08-21","01:58:45",""
"4515065","6.507","0.002","10.749","0.004","13.233","0.005","89.915","0.008","92.101","0.009","100.542","0.009","909.3","0.6","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C7 H15 Ho N8 O13 -","- C7 H15 Ho N8 O13 -","- C14 H30 Ho2 N16 O26 -","2","1","","Cai, Li-Zhen; Chen, Xiang-Yi; Wang, Ming-Sheng; Guo, Guo-Cong","Photochromic Lanthanide(III) Materials with Ion Sensing Based on Pyridinium Tetrazolate Zwitterion.","ACS omega","2019","4","4","7492","7497","10.1021/acsomega.8b03662","","","0.71073","MoKα","","0.0267","0.0221","","","0.0516","0.0522","","","","","","1.017","","","","has coordinates","301843","2025-08-21","01:58:45",""
"4515066","6.492","0.002","10.677","0.004","13.198","0.004","89.934","0.014","88.747","0.012","79.811","0.009","900.2","0.5","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C7 H15 N8 O13 Tm -","- C7 H15 N8 O13 Tm -","- C14 H30 N16 O26 Tm2 -","2","1","","Cai, Li-Zhen; Chen, Xiang-Yi; Wang, Ming-Sheng; Guo, Guo-Cong","Photochromic Lanthanide(III) Materials with Ion Sensing Based on Pyridinium Tetrazolate Zwitterion.","ACS omega","2019","4","4","7492","7497","10.1021/acsomega.8b03662","","","0.71073","MoKα","","0.0217","0.0198","","","0.0516","0.0521","","","","","","1.041","","","","has coordinates","301843","2025-08-21","01:58:45",""
"4515067","6.5889","0.0012","10.7457","0.0018","13.331","0.003","89.981","0.007","87.66","0.006","79.088","0.005","926","0.3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C7 H15 N8 O13 Sm -","- C7 H15 N8 O13 Sm -","- C14 H30 N16 O26 Sm2 -","2","1","","Cai, Li-Zhen; Chen, Xiang-Yi; Wang, Ming-Sheng; Guo, Guo-Cong","Photochromic Lanthanide(III) Materials with Ion Sensing Based on Pyridinium Tetrazolate Zwitterion.","ACS omega","2019","4","4","7492","7497","10.1021/acsomega.8b03662","","","0.71073","MoKα","","0.0182","0.016","","","0.0438","0.0541","","","","","","1.021","","","","has coordinates","301843","2025-08-21","01:58:45",""
"4515068","6.6647","0.0017","10.779","0.003","13.427","0.004","89.627","0.011","87.911","0.012","79.002","0.009","946.2","0.5","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C7 H15 Ce N8 O13 -","- C7 H15 Ce N8 O13 -","- C14 H30 Ce2 N16 O26 -","2","1","","Cai, Li-Zhen; Chen, Xiang-Yi; Wang, Ming-Sheng; Guo, Guo-Cong","Photochromic Lanthanide(III) Materials with Ion Sensing Based on Pyridinium Tetrazolate Zwitterion.","ACS omega","2019","4","4","7492","7497","10.1021/acsomega.8b03662","","","0.71073","MoKα","","0.0191","0.0176","","","0.0455","0.0459","","","","","","1.019","","","","has coordinates","301843","2025-08-21","01:58:45",""
"4515069","6.4767","0.0015","10.689","0.003","13.198","0.003","89.954","0.009","88.851","0.001","80.06","0.007","899.8","0.4","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C7 H15 N8 O13 Yb -","- C7 H15 N8 O13 Yb -","- C14 H30 N16 O26 Yb2 -","2","1","","Cai, Li-Zhen; Chen, Xiang-Yi; Wang, Ming-Sheng; Guo, Guo-Cong","Photochromic Lanthanide(III) Materials with Ion Sensing Based on Pyridinium Tetrazolate Zwitterion.","ACS omega","2019","4","4","7492","7497","10.1021/acsomega.8b03662","","","0.71073","MoKα","","0.0234","0.0217","","","0.0581","0.0586","","","","","","1.03","","","","has coordinates","301843","2025-08-21","01:58:45",""
"4515070","6.46876","0.00014","10.6226","0.0003","13.1883","0.0003","89.9898","0.0019","90.8464","0.0017","99.7577","0.0019","893.02","0.04","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C7 H15 Lu N8 O13 -","- C7 H15 Lu N8 O13 -","- C14 H30 Lu2 N16 O26 -","2","1","","Cai, Li-Zhen; Chen, Xiang-Yi; Wang, Ming-Sheng; Guo, Guo-Cong","Photochromic Lanthanide(III) Materials with Ion Sensing Based on Pyridinium Tetrazolate Zwitterion.","ACS omega","2019","4","4","7492","7497","10.1021/acsomega.8b03662","","","0.71073","MoKα","","0.0178","0.0156","","","0.0387","0.0398","","","","","","1.015","","","","has coordinates","220194","2020-10-21","18:00:00",""
"4515071","6.494","0.002","10.707","0.004","13.268","0.004","89.871","0.007","91.813","0.007","100.248","0.009","907.4","0.5","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C7 H15 Er N8 O13 -","- C7 H15 Er N8 O13 -","- C14 H30 Er2 N16 O26 -","2","1","","Cai, Li-Zhen; Chen, Xiang-Yi; Wang, Ming-Sheng; Guo, Guo-Cong","Photochromic Lanthanide(III) Materials with Ion Sensing Based on Pyridinium Tetrazolate Zwitterion.","ACS omega","2019","4","4","7492","7497","10.1021/acsomega.8b03662","","","0.71073","MoKα","","0.0222","0.0205","","","0.0538","0.0542","","","","","","1.056","","","","has coordinates","301843","2025-08-21","01:58:45",""
"4515072","6.5602","0.0002","10.7447","0.0003","13.3143","0.0004","89.977","0.002","87.647","0.003","79.155","0.003","920.93","0.05","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C7 H15 Eu N8 O13 -","- C7 H15 Eu N8 O13 -","- C14 H30 Eu2 N16 O26 -","2","1","","Cai, Li-Zhen; Chen, Xiang-Yi; Wang, Ming-Sheng; Guo, Guo-Cong","Photochromic Lanthanide(III) Materials with Ion Sensing Based on Pyridinium Tetrazolate Zwitterion.","ACS omega","2019","4","4","7492","7497","10.1021/acsomega.8b03662","","x-ray","0.71073","MoKα","","0.0223","0.0203","","","0.0573","0.0655","","","","","","1.035","","","","has coordinates","301843","2025-08-21","01:58:45",""
"4515073","6.5684","0.0011","17.59","0.003","33.828","0.005","90","","90","","90","","3908.4","1.1","150","","150","","","","","","","","synthesis as described","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H21 Cu N O5 -","- C21 H21 Cu N O5 -","- C168 H168 Cu8 N8 O40 -","8","2","","Zehra, Siffeen; Roisnel, Thierry; Arjmand, Farukh","Enantiomeric Amino Acid Schiff Base Copper(II) Complexes as a New Class of RNA-Targeted Metallo-Intercalators: Single X-ray Crystal Structural Details, Comparative in Vitro DNA/RNA Binding Profile, Cleavage, and Cytotoxicity","ACS Omega","2019","4","4","7691","","10.1021/acsomega.9b00131","","x-ray","0.71073","MoKα","","0.1215","0.1104","","","0.2752","0.2805","","","","","","1.112","","","","has coordinates","301843","2025-08-21","01:58:45",""
"4515074","5.0624","0.0006","12.238","0.0015","21.83","0.003","90","","90","","90","","1352.4","0.3","150","","150","","","","","","","","synthesis as described","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H15 Cu N O3 -","- C16 H15 Cu N O3 -","- C64 H60 Cu4 N4 O12 -","4","1","","Zehra, Siffeen; Roisnel, Thierry; Arjmand, Farukh","Enantiomeric Amino Acid Schiff Base Copper(II) Complexes as a New Class of RNA-Targeted Metallo-Intercalators: Single X-ray Crystal Structural Details, Comparative in Vitro DNA/RNA Binding Profile, Cleavage, and Cytotoxicity","ACS Omega","2019","4","4","7691","","10.1021/acsomega.9b00131","","x-ray","0.71073","MoKα","","0.0449","0.0368","","","0.0732","0.076","","","","","","1.077","","","","has coordinates","220198","2020-10-21","18:00:00",""
"4515075","5.0732","0.0002","12.2596","0.0007","21.8597","0.0012","90","","90","","90","","1359.57","0.12","150","","150","","","","","","","","synthesis as described","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H15 Cu N O3 -","- C16 H15 Cu N O3 -","- C64 H60 Cu4 N4 O12 -","4","1","","Zehra, Siffeen; Roisnel, Thierry; Arjmand, Farukh","Enantiomeric Amino Acid Schiff Base Copper(II) Complexes as a New Class of RNA-Targeted Metallo-Intercalators: Single X-ray Crystal Structural Details, Comparative in Vitro DNA/RNA Binding Profile, Cleavage, and Cytotoxicity","ACS Omega","2019","4","4","7691","","10.1021/acsomega.9b00131","","x-ray","0.71073","MoKα","","0.0261","0.0234","","","0.0564","0.0576","","","","","","1.095","","","","has coordinates","220199","2020-10-21","18:00:00",""
"4515076","6.5975","0.0007","17.636","0.002","33.817","0.004","90","","90","","90","","3934.7","0.8","150","","150","","","","","","","","synthesis as described","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H21 Cu N O5 -","- C21 H21 Cu N O5 -","- C168 H168 Cu8 N8 O40 -","8","2","","Zehra, Siffeen; Roisnel, Thierry; Arjmand, Farukh","Enantiomeric Amino Acid Schiff Base Copper(II) Complexes as a New Class of RNA-Targeted Metallo-Intercalators: Single X-ray Crystal Structural Details, Comparative in Vitro DNA/RNA Binding Profile, Cleavage, and Cytotoxicity","ACS Omega","2019","4","4","7691","","10.1021/acsomega.9b00131","","x-ray","0.71073","MoKα","","0.0563","0.047","","","0.105","0.1083","","","","","","1.09","","","","has coordinates","301843","2025-08-21","01:58:45",""
"4515077","12.027","0.004","11.987","0.004","13.744","0.005","96.47","0.02","113.825","0.019","97.42","0.02","1767.5","1.1","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C40 H48 N4 O4 -","- C40 H48 N4 O4 -","- C80 H96 N8 O8 -","2","1","","Roy, Ankita; Shee, Uday; Mukherjee, Abhishek; Mandal, Sushil Kumar; Roy, Partha","Rhodamine-Based Dual Chemosensor for Al3+ and Zn2+ Ions with Distinctly Separated Excitation and Emission Wavelengths","ACS Omega","2019","4","4","6864","","10.1021/acsomega.9b00475","","","0.71073","MoKα","","0.1114","0.0734","","","0.188","0.2146","","","","","","0.967","","","","has coordinates","301843","2025-08-21","01:58:45",""
"4515078","17.1182","0.0019","15.1767","0.0017","30.383","0.003","90","","99.899","0.001","90","","7775.9","1.4","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C98 H58 F18 N6 -","- C97.987 H57.988 F17.997 N6 -","- C391.948 H231.952 F71.988 N24 -","4","1","","Larsen, Simon; McCormick-McPherson, Laura J.; Teat, Simon J.; Ghosh, Abhik","Azulicorrole","ACS Omega","2019","4","4","6737","","10.1021/acsomega.9b00275","","","0.7288","synchrotron","","0.0835","0.063","","","0.1758","0.1895","","","","","","1.054","","","","has coordinates,has disorder","220202","2020-10-21","18:00:00",""
"4515079","17.593","0.0012","18.0587","0.0012","11.9975","0.0008","90","","96.358","0.002","90","","3788.2","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C49.5 H27 Cu F9 N3 -","- C49.5 H27 Cu F9 N3 -","- C198 H108 Cu4 F36 N12 -","4","1","","Larsen, Simon; McCormick-McPherson, Laura J.; Teat, Simon J.; Ghosh, Abhik","Azulicorrole","ACS Omega","2019","4","4","6737","","10.1021/acsomega.9b00275","","","0.7288","synchrotron","","0.0516","0.0425","","","0.108","0.1159","","","","","","1.028","","","","has coordinates,has disorder","220203","2020-10-21","18:00:00",""
"4515080","12.2079","0.0008","9.6867","0.0006","21.9929","0.0015","90","","95.115","0.003","90","","2590.4","0.3","298.01","","298.01","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H24 Cl N3 O4 S -","- C28 H24 Cl N3 O4 S -","- C112 H96 Cl4 N12 O16 S4 -","4","1","","Luo, Qin; Huang, Rong; Xiao, Qiang; Kong, Ling-Bin; Lin, Jun; Yan, Sheng-Jiao","Cascade Reaction of 1,1-Enediamines with 2-Benzylidene-1<i>H</i>-indene-1,3(2<i>H</i>)-diones: Selective Synthesis of Indenodihydropyridine and Indenopyridine Compounds.","ACS omega","2019","4","4","6637","6646","10.1021/acsomega.9b00407","","","0.71073","MoKα","","0.1035","0.057","","","0.1404","0.1686","","","","","","1.025","","","","has coordinates","301843","2025-08-21","01:58:45",""
"4515081","6.6018","0.0003","9.9118","0.0004","13.6939","0.0007","91.381","0.003","101.462","0.002","93.177","0.002","876.29","0.07","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H16 Cl N5 O8 -","- C14 H16 Cl N5 O8 -","- C28 H32 Cl2 N10 O16 -","2","1","","Mandal, Tripti; Pathak, Sudipta; Dey, Arka; Islam, Md Maidul; Seth, Saikat Kumar; Masum, Abdulla Al; Ortega-Castro, Joaquín; Ray, Partha Pratim; Frontera, Antonio; Mukhopadhyay, Subrata","Structures, Photoresponse Properties, and Biological Activity of Dicyano-Substituted 4-Aryl-2-pyridone Derivatives.","ACS omega","2019","4","4","7200","7212","10.1021/acsomega.9b00289","","","0.71073","MoKα","","0.0417","0.0367","","","0.0929","0.0973","","","","","","1.033","","","","has coordinates","220205","2020-10-21","18:00:00",""
"4515082","7.8612","0.0004","8.4861","0.0004","23.2316","0.0012","90","","98.556","0.003","90","","1532.55","0.13","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H14 Cl N5 O3 -","- C14 H14 Cl N5 O3 -","- C56 H56 Cl4 N20 O12 -","4","1","","Mandal, Tripti; Pathak, Sudipta; Dey, Arka; Islam, Md Maidul; Seth, Saikat Kumar; Masum, Abdulla Al; Ortega-Castro, Joaquín; Ray, Partha Pratim; Frontera, Antonio; Mukhopadhyay, Subrata","Structures, Photoresponse Properties, and Biological Activity of Dicyano-Substituted 4-Aryl-2-pyridone Derivatives.","ACS omega","2019","4","4","7200","7212","10.1021/acsomega.9b00289","","","0.71073","MoKα","","0.0511","0.0445","","","0.1136","0.1184","","","","","","1.087","","","","has coordinates","220206","2020-10-21","18:00:00",""
"4515083","7.2927","0.0007","9.1776","0.001","11.1631","0.0011","77.182","0.006","88.271","0.007","82.163","0.007","721.72","0.13","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H12 Br N5 O2 -","- C14 H12 Br N5 O2 -","- C28 H24 Br2 N10 O4 -","2","1","","Mandal, Tripti; Pathak, Sudipta; Dey, Arka; Islam, Md Maidul; Seth, Saikat Kumar; Masum, Abdulla Al; Ortega-Castro, Joaquín; Ray, Partha Pratim; Frontera, Antonio; Mukhopadhyay, Subrata","Structures, Photoresponse Properties, and Biological Activity of Dicyano-Substituted 4-Aryl-2-pyridone Derivatives.","ACS omega","2019","4","4","7200","7212","10.1021/acsomega.9b00289","","","0.71073","MoKα","","0.0795","0.0643","","","0.1544","0.1626","","","","","","1.094","","","","has coordinates","220207","2020-10-21","18:00:00",""
"4515084","10.5314","0.0006","10.6302","0.0006","13.7164","0.0008","102.443","0.003","98.834","0.003","114.216","0.002","1316.11","0.14","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H18 N3 O2 -","- C13 H18 N3 O2 -","- C52 H72 N12 O8 -","4","2","","Sherstobitova, Tatiana; Maryunina, Kseniya; Tolstikov, Svyatoslav; Letyagin, Gleb; Romanenko, Galina; Nishihara, Sadafumi; Inoue, Katsuya","Ligand Structure Effects on Molecular Assembly and Magnetic Properties of Copper(II) Complexes with 3-Pyridyl-Substituted Nitronyl Nitroxide Derivatives","ACS Omega","2019","4","17","17160","","10.1021/acsomega.9b01575","","","0.71073","MoKα","","0.1164","0.0749","","","0.184","0.2198","","","","","","1.034","","","","has coordinates","220208","2020-10-21","18:00:00",""
"4515085","18.849","0.01","7.488","0.004","19.139","0.01","90","","97.82","0.02","90","","2676","2","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C13 H18 N3 O2 -","- C13 H18 N3 O2 -","- C104 H144 N24 O16 -","8","1","","Sherstobitova, Tatiana; Maryunina, Kseniya; Tolstikov, Svyatoslav; Letyagin, Gleb; Romanenko, Galina; Nishihara, Sadafumi; Inoue, Katsuya","Ligand Structure Effects on Molecular Assembly and Magnetic Properties of Copper(II) Complexes with 3-Pyridyl-Substituted Nitronyl Nitroxide Derivatives","ACS Omega","2019","4","17","17160","","10.1021/acsomega.9b01575","","","0.71073","MoKα","","0.0636","0.0496","","","0.1448","0.1567","","","","","","1.061","","","","has coordinates","220209","2020-10-21","18:00:00",""
"4515086","6.1907","0.0018","11.075","0.003","19.618","0.005","90","","97.051","0.014","90","","1334.9","0.6","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H15 Br N3 O2 -","- C12 H15 Br N3 O2 -","- C48 H60 Br4 N12 O8 -","4","1","","Sherstobitova, Tatiana; Maryunina, Kseniya; Tolstikov, Svyatoslav; Letyagin, Gleb; Romanenko, Galina; Nishihara, Sadafumi; Inoue, Katsuya","Ligand Structure Effects on Molecular Assembly and Magnetic Properties of Copper(II) Complexes with 3-Pyridyl-Substituted Nitronyl Nitroxide Derivatives","ACS Omega","2019","4","17","17160","","10.1021/acsomega.9b01575","","","0.71073","MoKα","","0.0836","0.0474","","","0.1092","0.1241","","","","","","1.02","","","","has coordinates","220210","2020-10-21","18:00:00",""
"4515087","8.0121","0.0003","12.7977","0.0005","13.391","0.0005","90","","106.269","0.001","90","","1318.08","0.09","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H15 Br N3 O2 -","- C12 H15 Br N3 O2 -","- C48 H60 Br4 N12 O8 -","4","1","","Sherstobitova, Tatiana; Maryunina, Kseniya; Tolstikov, Svyatoslav; Letyagin, Gleb; Romanenko, Galina; Nishihara, Sadafumi; Inoue, Katsuya","Ligand Structure Effects on Molecular Assembly and Magnetic Properties of Copper(II) Complexes with 3-Pyridyl-Substituted Nitronyl Nitroxide Derivatives","ACS Omega","2019","4","17","17160","","10.1021/acsomega.9b01575","","","0.71073","MoKα","","0.0515","0.0387","","","0.0952","0.1021","","","","","","1.044","","","","has coordinates","220211","2020-10-21","18:00:00",""
"4515088","6.6988","0.0019","34.935","0.009","11.682","0.003","90","","91.942","0.01","90","","2732.3","1.3","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C12 H15 Br N3 O2 -","- C12 H15 Br N3 O2 -","- C96 H120 Br8 N24 O16 -","8","4","","Sherstobitova, Tatiana; Maryunina, Kseniya; Tolstikov, Svyatoslav; Letyagin, Gleb; Romanenko, Galina; Nishihara, Sadafumi; Inoue, Katsuya","Ligand Structure Effects on Molecular Assembly and Magnetic Properties of Copper(II) Complexes with 3-Pyridyl-Substituted Nitronyl Nitroxide Derivatives","ACS Omega","2019","4","17","17160","","10.1021/acsomega.9b01575","","","0.71073","MoKα","","0.1808","0.0782","","","0.167","0.2064","","","","","","0.975","","","","has coordinates","220212","2020-10-21","18:00:00",""
"4515089","19.826","0.005","7.239","0.0018","41.11","0.01","90","","90","","90","","5900","3","296","2","296","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C23 H20 Cu F12 N3 O6 -","- C23 H20 Cu F12 N3 O6 -","- C184 H160 Cu8 F96 N24 O48 -","8","2","","Sherstobitova, Tatiana; Maryunina, Kseniya; Tolstikov, Svyatoslav; Letyagin, Gleb; Romanenko, Galina; Nishihara, Sadafumi; Inoue, Katsuya","Ligand Structure Effects on Molecular Assembly and Magnetic Properties of Copper(II) Complexes with 3-Pyridyl-Substituted Nitronyl Nitroxide Derivatives","ACS Omega","2019","4","17","17160","","10.1021/acsomega.9b01575","","","0.71073","MoKα","","0.1763","0.0783","","","0.1552","0.1933","","","","","","1.026","","","","has coordinates,has disorder","220213","2020-10-21","18:00:00",""
"4515090","15.7802","0.0006","12.5818","0.0005","15.4138","0.0007","90","","108.634","0.001","90","","2899.9","0.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H20 Cu F12 N3 O6 -","- C23 H20 Cu F12 N3 O6 -","- C92 H80 Cu4 F48 N12 O24 -","4","1","","Sherstobitova, Tatiana; Maryunina, Kseniya; Tolstikov, Svyatoslav; Letyagin, Gleb; Romanenko, Galina; Nishihara, Sadafumi; Inoue, Katsuya","Ligand Structure Effects on Molecular Assembly and Magnetic Properties of Copper(II) Complexes with 3-Pyridyl-Substituted Nitronyl Nitroxide Derivatives","ACS Omega","2019","4","17","17160","","10.1021/acsomega.9b01575","","","0.71073","MoKα","","0.0558","0.0338","","","0.0808","0.0904","","","","","","1.023","","","","has coordinates,has disorder","301843","2025-08-21","01:58:45",""
"4515091","20.839","0.004","9.6376","0.0018","28.997","0.006","90","","90","","90","","5824","2","296","2","296","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C23 H20 Cu F12 N3 O6 -","- C23 H20 Cu F12 N3 O6 -","- C184 H160 Cu8 F96 N24 O48 -","8","2","","Sherstobitova, Tatiana; Maryunina, Kseniya; Tolstikov, Svyatoslav; Letyagin, Gleb; Romanenko, Galina; Nishihara, Sadafumi; Inoue, Katsuya","Ligand Structure Effects on Molecular Assembly and Magnetic Properties of Copper(II) Complexes with 3-Pyridyl-Substituted Nitronyl Nitroxide Derivatives","ACS Omega","2019","4","17","17160","","10.1021/acsomega.9b01575","","","0.71073","MoKα","","0.1193","0.0689","","","0.1484","0.1772","","","","","","1.063","","","","has coordinates,has disorder","220215","2020-10-21","18:00:00",""
"4515092","13.3237","0.0014","15.1782","0.0016","15.7765","0.0016","101.254","0.003","103.824","0.003","112.546","0.003","2711.1","0.5","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C19 H11.5 Cu1.25 F15 N1.5 O6 -","- C19 H11.5 Cu1.25 F15 N1.5 O6 -","- C76 H46 Cu5 F60 N6 O24 -","4","2","","Sherstobitova, Tatiana; Maryunina, Kseniya; Tolstikov, Svyatoslav; Letyagin, Gleb; Romanenko, Galina; Nishihara, Sadafumi; Inoue, Katsuya","Ligand Structure Effects on Molecular Assembly and Magnetic Properties of Copper(II) Complexes with 3-Pyridyl-Substituted Nitronyl Nitroxide Derivatives","ACS Omega","2019","4","17","17160","","10.1021/acsomega.9b01575","","","0.71073","MoKα","","0.0893","0.0416","","","0.0858","0.1025","","","","","","1.016","","","","has coordinates,has disorder","220216","2020-10-21","18:00:00",""
"4515093","11.341","0.002","14.706","0.003","15.816","0.004","62.409","0.006","85.136","0.006","88.528","0.007","2329.1","0.9","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C16.5 H12 Cu F12 N1.5 O5.5 -","- C16.5 H12 Cu F12 N1.5 O5.5 -","- C66 H48 Cu4 F48 N6 O22 -","4","2","","Sherstobitova, Tatiana; Maryunina, Kseniya; Tolstikov, Svyatoslav; Letyagin, Gleb; Romanenko, Galina; Nishihara, Sadafumi; Inoue, Katsuya","Ligand Structure Effects on Molecular Assembly and Magnetic Properties of Copper(II) Complexes with 3-Pyridyl-Substituted Nitronyl Nitroxide Derivatives","ACS Omega","2019","4","17","17160","","10.1021/acsomega.9b01575","","","0.71073","MoKα","","0.078","0.0565","","","0.1434","0.1595","","","","","","1.039","","","","has coordinates,has disorder","301843","2025-08-21","01:58:45",""
"4515094","13.9711","0.0006","15.4799","0.0006","18.0186","0.0007","68.177","0.001","68.509","0.001","87.947","0.001","3343.3","0.2","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C25.5 H20.5 Cu1.25 F15 N3 O7 -","- C25.5 H20.5 Cu1.25 F15 N3 O7 -","- C102 H82 Cu5 F60 N12 O28 -","4","2","","Sherstobitova, Tatiana; Maryunina, Kseniya; Tolstikov, Svyatoslav; Letyagin, Gleb; Romanenko, Galina; Nishihara, Sadafumi; Inoue, Katsuya","Ligand Structure Effects on Molecular Assembly and Magnetic Properties of Copper(II) Complexes with 3-Pyridyl-Substituted Nitronyl Nitroxide Derivatives","ACS Omega","2019","4","17","17160","","10.1021/acsomega.9b01575","","","0.71073","MoKα","","0.1744","0.0749","","","0.112","0.1373","","","","","","1.087","","","","has coordinates,has disorder","220218","2020-10-21","18:00:00",""
"4515095","13.4398","0.0015","11.7195","0.0013","18.904","0.002","90","","103.776","0.002","90","","2891.9","0.5","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C22 H17 Br Cu F12 N3 O6 -","- C22 H17 Br Cu F12 N3 O6 -","- C88 H68 Br4 Cu4 F48 N12 O24 -","4","1","","Sherstobitova, Tatiana; Maryunina, Kseniya; Tolstikov, Svyatoslav; Letyagin, Gleb; Romanenko, Galina; Nishihara, Sadafumi; Inoue, Katsuya","Ligand Structure Effects on Molecular Assembly and Magnetic Properties of Copper(II) Complexes with 3-Pyridyl-Substituted Nitronyl Nitroxide Derivatives","ACS Omega","2019","4","17","17160","","10.1021/acsomega.9b01575","","","0.71073","MoKα","","0.0963","0.0488","","","0.0902","0.1104","","","","","","1.081","","","","has coordinates,has disorder","301843","2025-08-21","01:58:45",""
"4515096","10.718","0.005","10.821","0.005","13.907","0.007","81.07","0.03","74.4","0.03","72.74","0.03","1478.6","1.3","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C22 H17 Br Cu F12 N3 O6 -","- C22 H17 Br Cu F12 N3 O6 -","- C44 H34 Br2 Cu2 F24 N6 O12 -","2","1","","Sherstobitova, Tatiana; Maryunina, Kseniya; Tolstikov, Svyatoslav; Letyagin, Gleb; Romanenko, Galina; Nishihara, Sadafumi; Inoue, Katsuya","Ligand Structure Effects on Molecular Assembly and Magnetic Properties of Copper(II) Complexes with 3-Pyridyl-Substituted Nitronyl Nitroxide Derivatives","ACS Omega","2019","4","17","17160","","10.1021/acsomega.9b01575","","","0.71073","MoKα","","0.0636","0.047","","","0.1074","0.119","","","","","","1.021","","","","has coordinates,has disorder","220220","2020-10-21","18:00:00",""
"4515097","9.4928","0.0004","12.2972","0.0005","13.3902","0.0005","82.71","0.001","84.069","0.001","87.204","0.001","1541.16","0.11","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C44 H38 Br2 Cu2 F24 N6 O14 -","- C44 H38 Br2 Cu2 F24 N6 O14 -","- C44 H38 Br2 Cu2 F24 N6 O14 -","1","0.5","","Sherstobitova, Tatiana; Maryunina, Kseniya; Tolstikov, Svyatoslav; Letyagin, Gleb; Romanenko, Galina; Nishihara, Sadafumi; Inoue, Katsuya","Ligand Structure Effects on Molecular Assembly and Magnetic Properties of Copper(II) Complexes with 3-Pyridyl-Substituted Nitronyl Nitroxide Derivatives","ACS Omega","2019","4","17","17160","","10.1021/acsomega.9b01575","","","0.71073","MoKα","","0.1331","0.052","","","0.1029","0.1364","","","","","","1.004","","","","has coordinates,has disorder","220221","2020-10-21","18:00:00",""
"4515098","11.817","0.0018","12.746","0.002","13.058","0.002","75.169","0.007","79.992","0.007","89.769","0.007","1870.6","0.5","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C13.5 H9 Br0.5 Cu0.75 F9 N1.5 O4 -","- C13.5 H9 Br0.5 Cu0.75 F9 N1.5 O4 -","- C54 H36 Br2 Cu3 F36 N6 O16 -","4","2","","Sherstobitova, Tatiana; Maryunina, Kseniya; Tolstikov, Svyatoslav; Letyagin, Gleb; Romanenko, Galina; Nishihara, Sadafumi; Inoue, Katsuya","Ligand Structure Effects on Molecular Assembly and Magnetic Properties of Copper(II) Complexes with 3-Pyridyl-Substituted Nitronyl Nitroxide Derivatives","ACS Omega","2019","4","17","17160","","10.1021/acsomega.9b01575","","","0.71073","MoKα","","0.0609","0.0364","","","0.0836","0.0945","","","","","","1.011","","","","has coordinates,has disorder","301843","2025-08-21","01:58:45",""
"4515099","15.772","0.002","12.6309","0.0017","15.211","0.002","90","","108.159","0.004","90","","2879.3","0.7","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C22 H17 Br Cu F12 N3 O6 -","- C22 H17 Br Cu F12 N3 O6 -","- C88 H68 Br4 Cu4 F48 N12 O24 -","4","1","","Sherstobitova, Tatiana; Maryunina, Kseniya; Tolstikov, Svyatoslav; Letyagin, Gleb; Romanenko, Galina; Nishihara, Sadafumi; Inoue, Katsuya","Ligand Structure Effects on Molecular Assembly and Magnetic Properties of Copper(II) Complexes with 3-Pyridyl-Substituted Nitronyl Nitroxide Derivatives","ACS Omega","2019","4","17","17160","","10.1021/acsomega.9b01575","","","0.71073","MoKα","","0.0748","0.0428","","","0.0836","0.0948","","","","","","1.062","","","","has coordinates,has disorder","301843","2025-08-21","01:58:45",""
"4515100","9.516","0.001","13.5","0.0016","15.4847","0.0017","97.09","0.007","95.62","0.007","96.47","0.007","1948.8","0.4","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C13.5 H10 Br0.5 Cu0.75 F9 N1.5 O4.5 -","- C13.5 H10 Br0.5 Cu0.75 F9 N1.5 O4.5 -","- C54 H40 Br2 Cu3 F36 N6 O18 -","4","2","","Sherstobitova, Tatiana; Maryunina, Kseniya; Tolstikov, Svyatoslav; Letyagin, Gleb; Romanenko, Galina; Nishihara, Sadafumi; Inoue, Katsuya","Ligand Structure Effects on Molecular Assembly and Magnetic Properties of Copper(II) Complexes with 3-Pyridyl-Substituted Nitronyl Nitroxide Derivatives","ACS Omega","2019","4","17","17160","","10.1021/acsomega.9b01575","","","0.71073","MoKα","","0.2149","0.1116","","","0.2987","0.3638","","","","","","1.092","","","","has coordinates,has disorder","220225","2020-10-21","18:00:00",""
"4515101","12.5858","0.0006","20.917","0.0009","14.6932","0.0006","90","","100.695","0.001","90","","3800.9","0.3","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C80 H60 N16 Ni2 O18 S4 -","- C80 H60 N16 Ni2 O18 S4 -","- C160 H120 N32 Ni4 O36 S8 -","2","1","","Liu, Guo-Cheng; Lu, Xue; Li, Xiao-Wu; Wang, Xiu-Li; Xu, Na; Li, Yan; Lin, Hong-Yan; Chen, Yong-Qiang","Metal/Carboxylate-Induced Versatile Structures of Nine 0D → 3D Complexes with Different Fluorescent and Electrochemical Behaviors","ACS Omega","2019","4","17","17366","","10.1021/acsomega.9b02124","","","0.71073","MoKα","","0.0717","0.0447","","","0.0628","0.0699","","","","","","1","","","","has coordinates","301843","2025-08-21","01:58:45",""
"4515102","20.9052","0.0014","24.2857","0.0017","9.8558","0.0007","90","","90","","90","","5003.8","0.6","295","2","295","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C24 H22 N4 Ni O9 S -","- C24 H22 N4 Ni O9 S -","- C192 H176 N32 Ni8 O72 S8 -","8","1","","Liu, Guo-Cheng; Lu, Xue; Li, Xiao-Wu; Wang, Xiu-Li; Xu, Na; Li, Yan; Lin, Hong-Yan; Chen, Yong-Qiang","Metal/Carboxylate-Induced Versatile Structures of Nine 0D →3D Complexes with Different Fluorescent and Electrochemical Behaviors","ACS Omega","2019","4","17","17366","","10.1021/acsomega.9b02124","","","0.71073","MoKα","","0.0495","0.0326","","","0.0724","0.0788","","","","","","1.022","","","","has coordinates","220226","2020-10-21","18:00:00",""
"4515103","21.5233","0.0018","24.378","0.002","10.1884","0.0009","90","","90","","90","","5345.8","0.8","295","2","295","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C25 H24 N4 Ni O9 S -","- C25 H24 N4 Ni O9 S -","- C200 H192 N32 Ni8 O72 S8 -","8","1","","Liu, Guo-Cheng; Lu, Xue; Li, Xiao-Wu; Wang, Xiu-Li; Xu, Na; Li, Yan; Lin, Hong-Yan; Chen, Yong-Qiang","Metal/Carboxylate-Induced Versatile Structures of Nine 0D →3D Complexes with Different Fluorescent and Electrochemical Behaviors","ACS Omega","2019","4","17","17366","","10.1021/acsomega.9b02124","","","0.71073","MoKα","","0.0398","0.032","","","0.0802","0.0851","","","","","","1.035","","","","has coordinates","220226","2020-10-21","18:00:00",""
"4515104","10.167","0.0018","15.932","0.003","15.588","0.003","90","","105.585","0.003","90","","2432.1","0.8","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H17 N5 Ni O9 S -","- C24 H17 N5 Ni O9 S -","- C96 H68 N20 Ni4 O36 S4 -","4","1","","Liu, Guo-Cheng; Lu, Xue; Li, Xiao-Wu; Wang, Xiu-Li; Xu, Na; Li, Yan; Lin, Hong-Yan; Chen, Yong-Qiang","Metal/Carboxylate-Induced Versatile Structures of Nine 0D →3D Complexes with Different Fluorescent and Electrochemical Behaviors","ACS Omega","2019","4","17","17366","","10.1021/acsomega.9b02124","","","0.71073","MoKα","","0.0965","0.0583","","","0.1207","0.1355","","","","","","1.056","","","","has coordinates","220226","2020-10-21","18:00:00",""
"4515105","19.5397","0.0012","7.763","0.0005","16.0231","0.001","90","","108.024","0.001","90","","2311.2","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H21 N5 Ni O8 S -","- C24 H21 N5 Ni O8 S -","- C96 H84 N20 Ni4 O32 S4 -","4","1","","Liu, Guo-Cheng; Lu, Xue; Li, Xiao-Wu; Wang, Xiu-Li; Xu, Na; Li, Yan; Lin, Hong-Yan; Chen, Yong-Qiang","Metal/Carboxylate-Induced Versatile Structures of Nine 0D →3D Complexes with Different Fluorescent and Electrochemical Behaviors","ACS Omega","2019","4","17","17366","","10.1021/acsomega.9b02124","","","0.71073","MoKα","","0.0558","0.0362","","","0.079","0.0866","","","","","","1.006","","","","has coordinates","220226","2020-10-21","18:00:00",""
"4515106","10.0807","0.0004","24.8681","0.0011","20.3417","0.0009","90","","98.854","0.001","90","","5038.7","0.4","295","2","295","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C45 H47 N9 Ni2 O17 S2 -","- C45 H47 N9 Ni2 O17 S2 -","- C180 H188 N36 Ni8 O68 S8 -","4","1","","Liu, Guo-Cheng; Lu, Xue; Li, Xiao-Wu; Wang, Xiu-Li; Xu, Na; Li, Yan; Lin, Hong-Yan; Chen, Yong-Qiang","Metal/Carboxylate-Induced Versatile Structures of Nine 0D →3D Complexes with Different Fluorescent and Electrochemical Behaviors","ACS Omega","2019","4","17","17366","","10.1021/acsomega.9b02124","","","0.71073","MoKα","","0.0798","0.0523","","","0.1379","0.1525","","","","","","1.054","","","","has coordinates","220226","2020-10-21","18:00:00",""
"4515107","10.0122","0.001","11.9884","0.0011","12.1481","0.0012","89.688","0.002","66.634","0.002","85.591","0.002","1334.1","0.2","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H24 Cu N4 O9 S -","- C25 H24 Cu N4 O9 S -","- C50 H48 Cu2 N8 O18 S2 -","2","1","","Liu, Guo-Cheng; Lu, Xue; Li, Xiao-Wu; Wang, Xiu-Li; Xu, Na; Li, Yan; Lin, Hong-Yan; Chen, Yong-Qiang","Metal/Carboxylate-Induced Versatile Structures of Nine 0D →3D Complexes with Different Fluorescent and Electrochemical Behaviors","ACS Omega","2019","4","17","17366","","10.1021/acsomega.9b02124","","","0.71073","MoKα","","0.115","0.0582","","","0.1017","0.1188","","","","","","1.019","","","","has coordinates,has disorder","220226","2020-10-21","18:00:00",""
"4515108","9.785","0.0009","9.9253","0.0009","13.5265","0.0012","91.391","0.002","109.448","0.002","106.198","0.002","1179.56","0.19","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H19.5 Cu N5 O7.25 S -","- C24 H19.5 Cu N5 O7.25 S -","- C48 H39 Cu2 N10 O14.5 S2 -","2","1","","Liu, Guo-Cheng; Lu, Xue; Li, Xiao-Wu; Wang, Xiu-Li; Xu, Na; Li, Yan; Lin, Hong-Yan; Chen, Yong-Qiang","Metal/Carboxylate-Induced Versatile Structures of Nine 0D →3D Complexes with Different Fluorescent and Electrochemical Behaviors","ACS Omega","2019","4","17","17366","","10.1021/acsomega.9b02124","","","0.71073","MoKα","","0.0636","0.0436","","","0.1035","0.1126","","","","","","1.028","","","","has coordinates","220226","2020-10-21","18:00:00",""
"4515109","9.5351","0.0007","10.0206","0.0007","13.5083","0.0009","82.07","0.001","77.035","0.002","66.975","0.001","1155.76","0.14","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H16 Cu N4 O8 S -","- C25 H16 Cu N4 O8 S -","- C50 H32 Cu2 N8 O16 S2 -","2","1","","Liu, Guo-Cheng; Lu, Xue; Li, Xiao-Wu; Wang, Xiu-Li; Xu, Na; Li, Yan; Lin, Hong-Yan; Chen, Yong-Qiang","Metal/Carboxylate-Induced Versatile Structures of Nine 0D →3D Complexes with Different Fluorescent and Electrochemical Behaviors","ACS Omega","2019","4","17","17366","","10.1021/acsomega.9b02124","","","0.71073","MoKα","","0.0683","0.0473","","","0.1135","0.1242","","","","","","1.034","","","","has coordinates,has disorder","220226","2020-10-21","18:00:00",""
"4515110","24.128","0.0006","20.9554","0.0005","21.3904","0.0005","90","","90","","90","","10815.2","0.5","100","2","99.99","0.1","","","","","","","","6","F d d 2","F 2 -2d","43","","9-[3'-(trifluoroborato)phenyl)]-10-(4""-octyloxyphenyl)acridinium","","- C33 H33 B F3 N O -","- C33 H33 B F3 N O -","- C528 H528 B16 F48 N16 O16 -","16","1","","Durka, Krzysztof; Urban, Mateusz; Dąbrowski, Marek; Jankowski, Piotr; Kliś, Tomasz; Luliński, Sergiusz","Cationic and Betaine-Type Boronated Acridinium Dyes: Synthesis, Characterization, and Photocatalytic Activity.","ACS omega","2019","4","2","2482","2492","10.1021/acsomega.8b03290","","","1.5418","CuKα","","0.0425","0.0393","","","0.105","0.1081","","","","","","1.031","","","","has coordinates","301843","2025-08-21","01:58:45",""
"4515111","9.0912","0.0001","11.4484","0.0002","19.9334","0.0003","90","","94.019","0.001","90","","2069.56","0.05","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H16 N14 O6 Zn -","- C16 H16 N14 O6 Zn -","- C64 H64 N56 O24 Zn4 -","4","0.5","","Rajak, Sanil; Mohan, Midhun; A Tremblay, Alexandre; Maris, Thierry; Leal do Santos, Silvano; Venancio, Everaldo Carlos; Ferreira Santos, Sydney; Duong, Adam","Programmed Molecular Construction: Driving the Self-Assembly by Coordination and Hydrogen Bonds Using 6-(Pyridin-2-yl)-1,3,5-triazine-2,4-diamine with M(NO<sub>3</sub>)<sub>2</sub> Salts.","ACS omega","2019","4","2","2708","2718","10.1021/acsomega.8b03517","","x-ray","1.54178","CuKα","","0.0258","0.0251","","","0.069","0.0695","","","","","","1.067","","","","has coordinates","301843","2025-08-21","01:58:45",""
"4515112","39.7847","0.0019","8.9349","0.0004","11.8029","0.0006","90","","90","","90","","4195.6","0.3","120","","120","","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C16 H16 Co N14 O6 -","- C16 H16 Co N14 O6 -","- C128 H128 Co8 N112 O48 -","8","0.5","","Rajak, Sanil; Mohan, Midhun; A Tremblay, Alexandre; Maris, Thierry; Leal do Santos, Silvano; Venancio, Everaldo Carlos; Ferreira Santos, Sydney; Duong, Adam","Programmed Molecular Construction: Driving the Self-Assembly by Coordination and Hydrogen Bonds Using 6-(Pyridin-2-yl)-1,3,5-triazine-2,4-diamine with M(NO<sub>3</sub>)<sub>2</sub> Salts.","ACS omega","2019","4","2","2708","2718","10.1021/acsomega.8b03517","","x-ray","1.34139","GaKα","","0.041","0.0376","","","0.0888","0.0906","","","","","","1.089","","","","has coordinates","301843","2025-08-21","01:58:45",""
"4515113","15.284","0.0011","9.036","0.0007","16.0867","0.0011","90","","105.075","0.003","90","","2145.2","0.3","110","","110","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H16 Cu N14 O6 -","- C16 H16 Cu N14 O6 -","- C64 H64 Cu4 N56 O24 -","4","1","","Rajak, Sanil; Mohan, Midhun; A Tremblay, Alexandre; Maris, Thierry; Leal do Santos, Silvano; Venancio, Everaldo Carlos; Ferreira Santos, Sydney; Duong, Adam","Programmed Molecular Construction: Driving the Self-Assembly by Coordination and Hydrogen Bonds Using 6-(Pyridin-2-yl)-1,3,5-triazine-2,4-diamine with M(NO<sub>3</sub>)<sub>2</sub> Salts.","ACS omega","2019","4","2","2708","2718","10.1021/acsomega.8b03517","","x-ray","1.34139","GaKα","","0.0758","0.0672","","","0.1716","0.1834","","","","","","1.086","","","","has coordinates","301843","2025-08-21","01:58:45",""
"4515114","39.702","0.002","8.8392","0.0004","11.9162","0.0006","90","","90","","90","","4181.8","0.4","120","","120","","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C16 H16 N14 Ni O6 -","- C16 H16 N14 Ni O6 -","- C128 H128 N112 Ni8 O48 -","8","0.5","","Rajak, Sanil; Mohan, Midhun; A Tremblay, Alexandre; Maris, Thierry; Leal do Santos, Silvano; Venancio, Everaldo Carlos; Ferreira Santos, Sydney; Duong, Adam","Programmed Molecular Construction: Driving the Self-Assembly by Coordination and Hydrogen Bonds Using 6-(Pyridin-2-yl)-1,3,5-triazine-2,4-diamine with M(NO<sub>3</sub>)<sub>2</sub> Salts.","ACS omega","2019","4","2","2708","2718","10.1021/acsomega.8b03517","","x-ray","1.34139","GaKα","","0.0615","0.056","","","0.143","0.147","","","","","","1.078","","","","has coordinates","301843","2025-08-21","01:58:45",""
"4515115","8.3231","0.0004","18.3439","0.0009","26.7035","0.0013","90","","91.709","0.002","90","","4075.2","0.3","200","2","200","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C34 H42 Au2 F12 N10 P2 -","- C34 H42 Au2 F12 N10 P2 -","- C136 H168 Au8 F48 N40 P8 -","4","0.5","","Monticelli, Marco; Baron, Marco; Tubaro, Cristina; Bellemin-Laponnaz, Stéphane; Graiff, Claudia; Bottaro, Gregorio; Armelao, Lidia; Orian, Laura","Structural and Luminescent Properties of Homoleptic Silver(I), Gold(I), and Palladium(II) Complexes with <i>n</i>NHC-<i>tz</i>NHC Heteroditopic Carbene Ligands.","ACS omega","2019","4","2","4192","4205","10.1021/acsomega.8b03668","","","0.71073","MoKα","","0.0605","0.0578","","","0.176","0.1796","","","","","","1.061","","","","has coordinates","220232","2020-10-21","18:00:00",""
"4515116","24.845","0.002","14.7302","0.0012","24.302","0.002","90","","105.831","0.001","90","","8556.5","1.2","173","2","173.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C34 H41 Au2 F12 N11 P2 -","- C34 H37 Au2 F12 N11 P2 -","- C272 H296 Au16 F96 N88 P16 -","8","1","","Monticelli, Marco; Baron, Marco; Tubaro, Cristina; Bellemin-Laponnaz, Stéphane; Graiff, Claudia; Bottaro, Gregorio; Armelao, Lidia; Orian, Laura","Structural and Luminescent Properties of Homoleptic Silver(I), Gold(I), and Palladium(II) Complexes with <i>n</i>NHC-<i>tz</i>NHC Heteroditopic Carbene Ligands.","ACS omega","2019","4","2","4192","4205","10.1021/acsomega.8b03668","","","0.71073","MoKα","","0.0706","0.0542","","","0.1079","0.1133","","","","","","1.184","","","","has coordinates,has disorder","220232","2020-10-21","18:00:00",""
"4515117","22.366","0.002","23.882","0.002","21.841","0.002","90","","106.733","0.002","90","","11172.3","1.7","293","2","293","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C40 H50 Ag Au2 F18 N12 O0.5 P3 -","- C40 H50 Ag Au2 F18 N12 O0.5 P3 -","- C320 H400 Ag8 Au16 F144 N96 O4 P24 -","8","1","","Monticelli, Marco; Baron, Marco; Tubaro, Cristina; Bellemin-Laponnaz, Stéphane; Graiff, Claudia; Bottaro, Gregorio; Armelao, Lidia; Orian, Laura","Structural and Luminescent Properties of Homoleptic Silver(I), Gold(I), and Palladium(II) Complexes with <i>n</i>NHC-<i>tz</i>NHC Heteroditopic Carbene Ligands.","ACS omega","2019","4","2","4192","4205","10.1021/acsomega.8b03668","","","0.71073","MoKα","","0.1003","0.053","","","0.1399","0.1671","","","","","","1.025","","","","has coordinates,has disorder","220232","2020-10-21","18:00:00",""
"4515118","11.917","0.003","12.117","0.003","15.264","0.004","90","","97.907","0.005","90","","2183.1","1","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H44 F12 N12 P2 Pd -","- C36 H44 F12 N12 P2 Pd -","- C72 H88 F24 N24 P4 Pd2 -","2","0.5","","Monticelli, Marco; Baron, Marco; Tubaro, Cristina; Bellemin-Laponnaz, Stéphane; Graiff, Claudia; Bottaro, Gregorio; Armelao, Lidia; Orian, Laura","Structural and Luminescent Properties of Homoleptic Silver(I), Gold(I), and Palladium(II) Complexes with <i>n</i>NHC-<i>tz</i>NHC Heteroditopic Carbene Ligands.","ACS omega","2019","4","2","4192","4205","10.1021/acsomega.8b03668","","","0.71073","MoKα","","0.0785","0.0596","","","0.161","0.1814","","","","","","1.049","","","","has coordinates","220232","2020-10-21","18:00:00",""
"4515119","10.8449","0.0004","16.94","0.0007","11.0749","0.0004","90","","96.952","0.004","90","","2019.64","0.13","293","2","293","2","","","","","","","Synthesis","4","P 1 21/n 1","-P 2yn","14","","Unknown","","- C25 H19 N O2 -","- C25 H19 N O2 -","- C100 H76 N4 O8 -","4","1","","Sahoo, Subas Chandra; Maity, Rajendra; Pan, Subhas Chandra","DBU-Mediated Addition of α-Nitroketones to α-Cyano-enones and α,β-Unsaturated α-Ketoesters: Synthesis of Dihydrofurans and Conjugated Dienes.","ACS omega","2019","4","2","2792","2803","10.1021/acsomega.8b03651","","x-ray","0.71073","MoKα","","0.0721","0.05","","","0.1128","0.1281","","","","","","1.064","","","","has coordinates","301843","2025-08-21","01:58:45",""
"4515120","11.3261","0.0015","9.821","0.0014","14.4412","0.0019","90","","91.297","0.005","90","","1605.9","0.4","120","","120","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C6.25 H6 O12.5 Zn3 -","- C6.25 H6 O12.5 Zn3 -","- C25 H24 O50 Zn12 -","4","1","","Wu, Bowei; Wong, Y. T. Angel; Lucier, Bryan E. G.; Boyle, Paul D.; Huang, Yining","Exploring Host-Guest Interactions in the α-Zn<sub>3</sub>(HCOO)<sub>6</sub> Metal-Organic Framework.","ACS omega","2019","4","2","4000","4011","10.1021/acsomega.8b03623","","","1.54178","CuKα","","0.0306","0.0303","","","0.0986","0.0992","","","","","","1.224","","","","has coordinates","220234","2020-10-21","18:00:00",""
"4515121","11.884","0.002","20.255","0.004","20.493","0.004","90","","90","","90","","4932.9","1.6","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C36 H84 Cl2 Ge Si7 -","- C36 H84 Cl2 Ge Si7 -","- C144 H336 Cl8 Ge4 Si28 -","4","1","","Lee, Vladimir Ya; Horiguchi, Satoru; Sekiguchi, Akira; Gapurenko, Olga A.; Gribanova, Tatyana N.; Minkin, Vladimir I.; Gornitzka, Heinz","Tuning Philicity of Dichlorosilylene: Nucleophilic Behavior of the Dichlorosilylene-NHC Complex Cl<sub>2</sub>Si-IPr.","ACS omega","2019","4","2","2902","2906","10.1021/acsomega.8b03429","","","0.71073","MoKα","","0.1403","0.1044","","","0.2728","0.3004","","","","","","1.065","","","","has coordinates,has disorder","301843","2025-08-21","01:58:45",""
"4515122","9.705","0.001","13.171","0.002","13.993","0.002","70.842","0.011","77.032","0.012","70.551","0.014","1579.8","0.4","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C37 H29 Mg N9 O2 -","- C37 H29 Mg N9 O2 -","- C74 H58 Mg2 N18 O4 -","2","1","","Janczak, Jan","Water-Involved Hydrogen Bonds in Dimeric Supramolecular Structures of Magnesium and Zinc Phthalocyaninato Complexes.","ACS omega","2019","4","2","3673","3683","10.1021/acsomega.8b03055","","","0.71073","MoKα","","0.1026","0.0564","","","0.1443","0.172","","","","","","1.002","","","","has coordinates","220236","2020-10-21","18:00:00",""
"4515123","9.692","0.001","13.133","0.002","13.915","0.002","70.98","0.011","76.873","0.012","70.592","0.011","1565.2","0.4","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C37 H29 N9 O2 Zn -","- C37 H29 N9 O2 Zn -","- C74 H58 N18 O4 Zn2 -","2","1","","Janczak, Jan","Water-Involved Hydrogen Bonds in Dimeric Supramolecular Structures of Magnesium and Zinc Phthalocyaninato Complexes.","ACS omega","2019","4","2","3673","3683","10.1021/acsomega.8b03055","","","0.71073","MoKα","","0.2272","0.0648","","","0.0665","0.085","","","","","","1.003","","","","has coordinates","220237","2020-10-21","18:00:00",""
"4515124","9.4051","0.0012","9.1919","0.0011","18.885","0.002","90","","90.699","0.002","90","","1632.5","0.3","296.15","","296.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H19 N3 O3 -","- C17 H19 N3 O3 -","- C68 H76 N12 O12 -","4","1","","Zi, Quan-Xing; Yan, Sheng-Jiao; Yang, Chang-Long; Li, Kun; Lin, Jun","Three-Component Cascade Reaction of 1,1-Enediamines, <i>N</i>,<i>N</i>-Dimethylformamide Dimethyl Acetal, and 1,3-Dicarbonyl Compounds: Selective Synthesis of Diverse 2-Aminopyridine Derivatives.","ACS omega","2019","4","2","2863","2873","10.1021/acsomega.8b03284","","","0.71073","MoKα","","0.0798","0.053","","","0.1405","0.1623","","","","","","1.044","","","","has coordinates,has disorder","301843","2025-08-21","01:58:45",""
"4515125","6.2644","0.0009","9.8335","0.0014","27.698","0.004","90","","90","","90","","1706.2","0.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H18 Cl N3 O3 -","- C18 H18 Cl N3 O3 -","- C72 H72 Cl4 N12 O12 -","4","1","","Zi, Quan-Xing; Yan, Sheng-Jiao; Yang, Chang-Long; Li, Kun; Lin, Jun","Three-Component Cascade Reaction of 1,1-Enediamines, <i>N</i>,<i>N</i>-Dimethylformamide Dimethyl Acetal, and 1,3-Dicarbonyl Compounds: Selective Synthesis of Diverse 2-Aminopyridine Derivatives.","ACS omega","2019","4","2","2863","2873","10.1021/acsomega.8b03284","","","0.71073","MoKα","","0.0553","0.0369","","","0.0747","0.0827","","","","","","1.031","","","","has coordinates","301843","2025-08-21","01:58:45",""
"4515126","26.9468","0.0005","5.1107","0.0009","26.9471","0.0005","90","","104.23","0.01","90","","3597.2","0.7","296.15","","296.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H17 N3 O3 -","- C21 H17 N3 O3 -","- C168 H136 N24 O24 -","8","2","","Zi, Quan-Xing; Yan, Sheng-Jiao; Yang, Chang-Long; Li, Kun; Lin, Jun","Three-Component Cascade Reaction of 1,1-Enediamines, <i>N</i>,<i>N</i>-Dimethylformamide Dimethyl Acetal, and 1,3-Dicarbonyl Compounds: Selective Synthesis of Diverse 2-Aminopyridine Derivatives.","ACS omega","2019","4","2","2863","2873","10.1021/acsomega.8b03284","","","0.71073","MoKα","","0.1615","0.0576","","","0.0981","0.1285","","","","","","0.962","","","","has coordinates","301843","2025-08-21","01:58:45",""
"4515127","7.488","0.004","8.724","0.004","9.661","0.004","93.316","0.019","100.23","0.02","91.98","0.02","619.4","0.5","293","","293","","","","","","","","","4","P -1","-P 1","2","","","","- C13 H13 N3 O2 -","- C13 H13 N3 O2 -","- C26 H26 N6 O4 -","2","1","","Tighadouini, Said; Radi, Smaail; Ferbinteanu, Marilena; Garcia, Yann","Highly Selective Removal of Pb(II) by a Pyridylpyrazole-β-ketoenol Receptor Covalently Bonded onto the Silica Surface.","ACS omega","2019","4","2","3954","3964","10.1021/acsomega.8b03642","","","0.71075","MoKα","","0.1045","0.0758","","","0.2164","0.2442","","","","","","1.114","","","","has coordinates","301843","2025-08-21","01:58:45",""
"4515128","6.8236","0.0006","18.8561","0.0017","7.845","0.0006","90","","90","","90","","1009.39","0.15","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C11 H11 N O3 -","- C11 H11 N O3 -","- C44 H44 N4 O12 -","4","1","","Borthakur, Upasana; Biswas, Subhamoy; Saikia, Anil K.","Vinylsilanes in Highly Diastereo- and Regio-Selective Synthesis of Dihydropyrans.","ACS omega","2019","4","2","2630","2636","10.1021/acsomega.8b03635","","","0.71073","MoKα","","0.0687","0.0524","","","0.1482","0.165","","","","","","1.083","","","","has coordinates","301843","2025-08-21","01:58:45",""
"4515129","9.829","0.0005","15.0471","0.0007","21.1706","0.0008","90","","90.844","0.001","90","","3130.7","0.2","173.15","","173.15","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C29 H34 S8 -","- C29 H34 S8 -","- C116 H136 S32 -","4","1","","Press, David J.; Gendy, Chris; Pasalkar, Samruddhi; Schechtel, Shauna; Heyne, Belinda; Sutherland, Todd C.","Synthesis of Tetrathia-Oligothiophene Macrocycles.","ACS omega","2019","4","2","3405","3408","10.1021/acsomega.8b03444","","","0.71073","MoKα","","0.06","0.0394","","","0.0931","0.1056","","","","","","1.031","","","","has coordinates","301843","2025-08-21","01:58:45",""
"4515130","11.0663","0.0005","15.3836","0.0007","23.1586","0.001","84.963","0.001","77.302","0.001","69.127","0.001","3593.5","0.3","173.15","","173.15","","","","","","","","","3","P -1","-P 1","2","","","","- C34 H44 S8 -","- C34 H44 S8 -","- C136 H176 S32 -","4","2","","Press, David J.; Gendy, Chris; Pasalkar, Samruddhi; Schechtel, Shauna; Heyne, Belinda; Sutherland, Todd C.","Synthesis of Tetrathia-Oligothiophene Macrocycles.","ACS omega","2019","4","2","3405","3408","10.1021/acsomega.8b03444","","","0.71073","MoKα","","0.0628","0.0416","","","0.0969","0.1078","","","","","","1.017","","","","has coordinates,has disorder","301843","2025-08-21","01:58:45",""
"4515131","8.171","0.0003","18.163","0.0008","33.575","0.0004","100.16","","92.47","","98.58","","4837.5","0.3","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C32 H28 S10 -","- C32 H28 S10 -","- C192 H168 S60 -","6","3","","Press, David J.; Gendy, Chris; Pasalkar, Samruddhi; Schechtel, Shauna; Heyne, Belinda; Sutherland, Todd C.","Synthesis of Tetrathia-Oligothiophene Macrocycles.","ACS omega","2019","4","2","3405","3408","10.1021/acsomega.8b03444","","","0.7107","MoKα","","0.0877","0.0668","","","0.1211","0.1332","","","","","","1.056","","","","has coordinates","301843","2025-08-21","01:58:45",""
"4515132","12.8026","0.0007","18.5047","0.0007","12.4753","0.0007","90","","100.02","0.002","90","","2910.4","0.3","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H27 N S8 -","- C26 H27 N S8 -","- C104 H108 N4 S32 -","4","1","","Press, David J.; Gendy, Chris; Pasalkar, Samruddhi; Schechtel, Shauna; Heyne, Belinda; Sutherland, Todd C.","Synthesis of Tetrathia-Oligothiophene Macrocycles.","ACS omega","2019","4","2","3405","3408","10.1021/acsomega.8b03444","","","0.71073","MoKα","","0.0565","0.0357","","","0.0729","0.0843","","","","","","1.035","","","","has coordinates","301843","2025-08-21","01:58:45",""
"4515133","10.5885","0.0007","6.1624","0.0004","23.953","0.0016","90","","94.492","0.001","90","","1558.15","0.18","173","2","173","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C24 H24 S8 -","- C24 H24 S8 -","- C48 H48 S16 -","2","0.5","","Press, David J.; Gendy, Chris; Pasalkar, Samruddhi; Schechtel, Shauna; Heyne, Belinda; Sutherland, Todd C.","Synthesis of Tetrathia-Oligothiophene Macrocycles.","ACS omega","2019","4","2","3405","3408","10.1021/acsomega.8b03444","","","0.71073","MoKα","","0.0308","0.0264","","","0.0635","0.067","","","","","","1.041","","","","has coordinates","301843","2025-08-21","01:58:45",""
"4515134","10.7899","0.0001","10.6921","0.0001","16.1054","0.0001","90","","91.339","0.001","90","","1857.52","0.03","130","0.1","130","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C25 H24 O -","- C25 H24 O -","- C100 H96 O4 -","4","2","","Mądry, Tomasz; Czapik, Agnieszka; Kwit, Marcin","Optical Activity and Helicity Enhancement of Highly Sensitive Dinaphthylmethane-Based Stereodynamic Probes for Secondary Alcohols.","ACS omega","2019","4","2","3244","3256","10.1021/acsomega.8b03337","","x-ray","1.54184","CuKα","","0.0289","0.0287","","","0.0759","0.0761","","","","","","1.038","","","","has coordinates,has disorder","301843","2025-08-21","01:58:45",""
"4515135","11.0028","0.0002","6.94336","0.00016","25.5705","0.0005","90","","99.503","0.002","90","","1926.69","0.07","130","","130","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C48 H60 O -","- C48 H60 O -","- C96 H120 O2 -","2","1","","Mądry, Tomasz; Czapik, Agnieszka; Kwit, Marcin","Optical Activity and Helicity Enhancement of Highly Sensitive Dinaphthylmethane-Based Stereodynamic Probes for Secondary Alcohols.","ACS omega","2019","4","2","3244","3256","10.1021/acsomega.8b03337","","x-ray","1.54184","CuKα","","0.043","0.0394","","","0.1012","0.104","","","","","","1.038","","","","has coordinates","301843","2025-08-21","01:58:45",""
"4515136","7.88777","0.00011","15.4336","0.0002","24.6842","0.0004","90","","90","","90","","3004.97","0.08","130","","130","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C40 H42 O2 -","- C40 H42 O2 -","- C160 H168 O8 -","4","1","","Mądry, Tomasz; Czapik, Agnieszka; Kwit, Marcin","Optical Activity and Helicity Enhancement of Highly Sensitive Dinaphthylmethane-Based Stereodynamic Probes for Secondary Alcohols.","ACS omega","2019","4","2","3244","3256","10.1021/acsomega.8b03337","","x-ray","1.54184","CuKα","","0.0441","0.0404","","","0.1035","0.1065","","","","","","1.034","","","","has coordinates","301843","2025-08-21","01:58:45",""
"4515137","7.67545","0.00013","10.23967","0.00017","26.7674","0.0004","90","","90","","90","","2103.76","0.06","130","0.14","130","0.14","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C29 H24 O -","- C29 H24 O -","- C116 H96 O4 -","4","1","","Mądry, Tomasz; Czapik, Agnieszka; Kwit, Marcin","Optical Activity and Helicity Enhancement of Highly Sensitive Dinaphthylmethane-Based Stereodynamic Probes for Secondary Alcohols.","ACS omega","2019","4","2","3244","3256","10.1021/acsomega.8b03337","","x-ray","1.54184","CuKα","","0.0361","0.0349","","","0.0913","0.0926","","","","","","1.055","","","","has coordinates","301843","2025-08-21","01:58:45",""
"4515138","17.4359","0.0013","7.4145","0.0005","17.9343","0.0011","90","","97.876","0.006","90","","2296.6","0.3","130","","130","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C30 H24 O3 -","- C30 H24 O3 -","- C120 H96 O12 -","4","2","","Mądry, Tomasz; Czapik, Agnieszka; Kwit, Marcin","Optical Activity and Helicity Enhancement of Highly Sensitive Dinaphthylmethane-Based Stereodynamic Probes for Secondary Alcohols.","ACS omega","2019","4","2","3244","3256","10.1021/acsomega.8b03337","","x-ray","1.54184","CuKα","","0.1414","0.0995","","","0.2606","0.3057","","","","","","1.023","","","","has coordinates","301843","2025-08-21","01:58:45",""
"4515139","17.687","0.003","20.208","0.003","12.9161","0.0019","90","","96.737","0.004","90","","4584.6","1.2","150","","150","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H19 F6 N2 O4 S3 -","- C19 H19 F6 N2 O4 S3 -","- C152 H152 F48 N16 O32 S24 -","8","2","","Suzuki, Shuichi; Maya, Ryochi; Uchida, Yoshiaki; Naota, Takeshi","Strategy for Stimuli-Induced Spin Control Using a Liquescent Radical Cation.","ACS omega","2019","4","6","10031","10035","10.1021/acsomega.9b00982","","","0.71075","MoKα","","0.1478","0.0632","","","0.137","0.1677","","","","","","0.956","","","","has coordinates","220249","2020-10-21","18:00:00",""
"4515140","17.677","0.002","20.167","0.003","12.8973","0.0016","90","","96.7","0.003","90","","4566.4","1","150","","150","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H19 F6 N2 O4 S3 -","- C19 H19 F6 N2 O4 S3 -","- C152 H152 F48 N16 O32 S24 -","8","2","","Suzuki, Shuichi; Maya, Ryochi; Uchida, Yoshiaki; Naota, Takeshi","Strategy for Stimuli-Induced Spin Control Using a Liquescent Radical Cation.","ACS omega","2019","4","6","10031","10035","10.1021/acsomega.9b00982","","","0.71075","MoKα","","0.0832","0.051","","","0.1299","0.1416","","","","","","1.09","","","","has coordinates","220250","2020-10-21","18:00:00",""
"4515141","7.683","0.0015","13.097","0.003","13.447","0.002","77.155","0.016","82.425","0.015","76.579","0.014","1278.6","0.4","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C22 H25 F6 N2 O4 S3 -","- C22 H25 F6 N2 O4 S3 -","- C44 H50 F12 N4 O8 S6 -","2","1","","Suzuki, Shuichi; Maya, Ryochi; Uchida, Yoshiaki; Naota, Takeshi","Strategy for Stimuli-Induced Spin Control Using a Liquescent Radical Cation.","ACS omega","2019","4","6","10031","10035","10.1021/acsomega.9b00982","","","0.71075","MoKα","","0.0941","0.0572","","","0.1257","0.1343","","","","","","0.837","","","","has coordinates","220251","2020-10-21","18:00:00",""
"4515142","9.5649","0.0014","14.9","0.002","16.507","0.003","97.926","0.005","99.466","0.004","95.106","0.003","2283.3","0.6","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C19 H19 F6 N2 O4 S3 -","- C19 H19 F6 N2 O4 S3 -","- C76 H76 F24 N8 O16 S12 -","4","2","","Suzuki, Shuichi; Maya, Ryochi; Uchida, Yoshiaki; Naota, Takeshi","Strategy for Stimuli-Induced Spin Control Using a Liquescent Radical Cation.","ACS omega","2019","4","6","10031","10035","10.1021/acsomega.9b00982","","","0.71075","MoKα","","0.0929","0.0614","","","0.1648","0.1782","","","","","","1.025","","","","has coordinates","220252","2020-10-21","18:00:00",""
"4515143","7.7171","0.0006","12.0362","0.0009","13.6112","0.001","97.711","0.003","101.915","0.003","92.365","0.004","1222.74","0.16","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C9 H8 N5 O7.5 -","- C9 H8 N5 O7.5 -","- C36 H32 N20 O30 -","4","2","","Khan, Ishaat M.; Shakya, Sonam","Exploring Colorimetric Real-Time Sensing Behavior of a Newly Designed CT Complex toward Nitrobenzene and Co<sup>2+</sup>: Spectrophotometric, DFT/TD-DFT, and Mechanistic Insights.","ACS omega","2019","4","6","9983","9995","10.1021/acsomega.9b01314","","","0.71073","MoKα","","0.0851","0.0737","","","0.2316","0.2515","","","","","","1.0586","","","","has coordinates","301843","2025-08-21","01:58:45",""
"4515144","12.9324","0.0007","17.7182","0.001","20.6303","0.001","87.335","0.004","72.611","0.005","70.314","0.005","4239.8","0.4","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C66 H32 O25 Zn7 -","- C66 H32 O25 Zn7 -","- C132 H64 O50 Zn14 -","2","1","","Ding, Qiongjie; Pan, Ying; Luo, Yingmei; Zhou, Mi; Guan, Yucheng; Li, Baohong; Trivedi, Manoj; Kumar, Abhinav; Liu, Jianqiang","Photocatalytic and Ferric Ion Sensing Properties of a New Three-Dimensional Metal-Organic Framework Based on Cuboctahedral Secondary Building Units.","ACS omega","2019","4","6","10775","10783","10.1021/acsomega.9b01008","","","1.54184","CuKα","","0.0722","0.0616","","","0.176","0.1834","","","","","","1.069","","","","has coordinates","220254","2020-10-21","18:00:00",""
"4515145","7.9525","0.001","7.9525","","5.7712","0.0009","90","","90","","120","","316.09","0.06","296","","296","","","","","","","","","4","P 3 1 c","P 3 -2c","159","","","","- Al2 Ca N8 Si4 -","- Al1.9998 Ca N8 Si4.0002 -","- Al3.9996 Ca2 N16 Si8.0004 -","2","0.333333","","Hasegawa, Shota; Hasegawa, Takuya; Kim, Sun Woog; Yamanashi, Ryota; Uematsu, Kazuyoshi; Toda, Kenji; Sato, Mineo","Single Crystal Growth and Crystal Structure Analysis of Novel Orange-Red Emission Pure Nitride CaAl<sub>2</sub>Si<sub>4</sub>N<sub>8</sub>:Eu<sup>2+</sup> Phosphor.","ACS omega","2019","4","6","9939","9945","10.1021/acsomega.9b00606","","","0.71075","MoKα","","0.0261","0.0261","","","0.0655","0.0656","","","","","","1.107","","","","has coordinates","220255","2020-10-21","18:00:00",""
"4515146","8.0663","0.0005","29.9873","0.0018","40.915","0.003","90","","90","","90","","9896.8","1.1","173","2","173","2","","","","","","","","7","I b c a","-I 2b 2c","73","","","","- C18.98 H15.23 Ag F3 N6 O2 S2 -","- C18.976 H15.232 Ag F3 N6 O2 S2 -","- C303.616 H243.712 Ag16 F48 N96 O32 S32 -","16","1","","Wang, Xin; Chang, Zhiduo; Jing, Xu; He, Cheng; Duan, Chunying","Double-Helical Ag-S Rod-Based Porous Coordination Polymers with Double Activation: σ-Active and π-Active Functions.","ACS omega","2019","4","6","10828","10833","10.1021/acsomega.9b00742","","","0.71073","MoKα","","0.1408","0.0989","","","0.2485","0.2718","","","","","","1.193","","","","has coordinates","220256","2020-10-21","18:00:00",""
"4515147","16.1257","0.0006","5.0821","0.0002","19.3075","0.0006","90","","97.582","0.002","90","","1568.46","0.1","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","2a","","","- C14 H24 F N O4 -","- C14 H24 F N O4 -","- C56 H96 F4 N4 O16 -","4","2","","Reeve, Philip A. P.; Grabowska, Urszula; Oden, Lourdes Salvador; Wiktelius, Daniel; Wångsell, Fredrik; Jackson, Richard F. W.","Radical Functionalization of Unsaturated Amino Acids: Synthesis of Side-Chain-Fluorinated, Azido-Substituted, and Hydroxylated Amino Acids.","ACS omega","2019","4","6","10854","10865","10.1021/acsomega.9b01509","","","1.54178","CuKα","","0.1062","0.0571","","","0.1104","0.1295","","","","","","1.019","","","","has coordinates,has disorder","301843","2025-08-21","01:58:45",""
"4515148","5.2019","0.0001","11.2334","0.0003","28.6154","0.0006","90","","90","","90","","1672.14","0.07","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","24","","","- C15 H24 F3 N O4 -","- C15 H24 F3 N O4 -","- C60 H96 F12 N4 O16 -","4","1","","Reeve, Philip A. P.; Grabowska, Urszula; Oden, Lourdes Salvador; Wiktelius, Daniel; Wångsell, Fredrik; Jackson, Richard F. W.","Radical Functionalization of Unsaturated Amino Acids: Synthesis of Side-Chain-Fluorinated, Azido-Substituted, and Hydroxylated Amino Acids.","ACS omega","2019","4","6","10854","10865","10.1021/acsomega.9b01509","","","1.54178","CuKα","","0.0271","0.026","","","0.0646","0.0656","","","","","","1.092","","","","has coordinates","301843","2025-08-21","01:58:45",""
"4515149","5.8929","0.0004","9.6349","0.0006","13.2171","0.0009","90","","95.355","0.004","90","","747.16","0.09","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","40","","","- C14 H24 N2 O3 -","- C14 H24 N2 O3 -","- C28 H48 N4 O6 -","2","1","","Reeve, Philip A. P.; Grabowska, Urszula; Oden, Lourdes Salvador; Wiktelius, Daniel; Wångsell, Fredrik; Jackson, Richard F. W.","Radical Functionalization of Unsaturated Amino Acids: Synthesis of Side-Chain-Fluorinated, Azido-Substituted, and Hydroxylated Amino Acids.","ACS omega","2019","4","6","10854","10865","10.1021/acsomega.9b01509","","","1.54178","CuKα","","0.0489","0.0381","","","0.0788","0.0828","","","","","","1.046","","","","has coordinates","301843","2025-08-21","01:58:45",""
"4515150","6.95","0.008","12.601","0.01","13.48","0.013","69.33","0.03","83.01","0.04","83.13","0.06","1092.6","1.9","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H20 Cu N6 O2 -","- C24 H20 Cu N6 O2 -","- C48 H40 Cu2 N12 O4 -","2","1","","Salbego, Paulo R. S.; Bender, Caroline R.; Orlando, Tainára; Moraes, Guilherme A.; Copetti, João P P; Weimer, Gustavo H.; Bonacorso, Helio G.; Zanatta, Nilo; Hoerner, Manfredo; Martins, Marcos A. P.","Supramolecular Similarity in Polymorphs: Use of Similarity Indices (I<sup>X</sup>).","ACS omega","2019","4","6","9697","9709","10.1021/acsomega.8b03660","","x-ray","0.56087","AgKα","","0.0417","0.0303","","","0.0824","0.0941","","","","","","1.15","","","","has coordinates","220258","2020-10-21","18:00:00",""
"4515151","5.3076","0.0002","22.0688","0.0009","9.7098","0.0004","90","","103.682","0.001","90","","1105.06","0.08","295","2","295","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H18 Cu N6 O2 -","- C24 H20 Cu N6 O2 -","- C48 H40 Cu2 N12 O4 -","2","1","","Salbego, Paulo R. S.; Bender, Caroline R.; Orlando, Tainára; Moraes, Guilherme A.; Copetti, João P P; Weimer, Gustavo H.; Bonacorso, Helio G.; Zanatta, Nilo; Hoerner, Manfredo; Martins, Marcos A. P.","Supramolecular Similarity in Polymorphs: Use of Similarity Indices (I<sup>X</sup>).","ACS omega","2019","4","6","9697","9709","10.1021/acsomega.8b03660","","x-ray","0.71073","MoKα","","0.1611","0.0805","","","0.2029","0.2387","","","","","","1.029","","","","has coordinates","220259","2020-10-21","18:00:00",""
"4515152","11.3898","0.0008","5.067","0.0003","18.3989","0.0014","90","","99.046","0.003","90","","1048.63","0.13","295","2","295","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","1,3-Diphenyltriaz-1-ene","1,3-Diphenyltriaz-1-ene","","- C12 H11 N3 -","- C12 H11 N3 -","- C48 H44 N12 -","4","1","","Salbego, Paulo R. S.; Bender, Caroline R.; Orlando, Tainára; Moraes, Guilherme A.; Copetti, João P P; Weimer, Gustavo H.; Bonacorso, Helio G.; Zanatta, Nilo; Hoerner, Manfredo; Martins, Marcos A. P.","Supramolecular Similarity in Polymorphs: Use of Similarity Indices (I<sup>X</sup>).","ACS omega","2019","4","6","9697","9709","10.1021/acsomega.8b03660","","x-ray","0.71073","MoKα","","0.1066","0.0698","","","0.1943","0.2173","","","","","","1.082","","","","has coordinates","301843","2025-08-21","01:58:45",""
"4515153","10.0093","0.0004","5.0606","0.0002","11.3529","0.0004","90","","114.639","0.001","90","","522.7","0.03","295","2","295","2","","","","","","","","3","P 1 21 1","P 2yb","4","1,3-Diphenyltriaz-1-ene","1,3-Diphenyltriaz-1-ene","","- C12 H11 N3 -","- C12 H11 N3 -","- C24 H22 N6 -","2","1","","Salbego, Paulo R. S.; Bender, Caroline R.; Orlando, Tainára; Moraes, Guilherme A.; Copetti, João P P; Weimer, Gustavo H.; Bonacorso, Helio G.; Zanatta, Nilo; Hoerner, Manfredo; Martins, Marcos A. P.","Supramolecular Similarity in Polymorphs: Use of Similarity Indices (I<sup>X</sup>).","ACS omega","2019","4","6","9697","9709","10.1021/acsomega.8b03660","","x-ray","0.71073","MoKα","","0.0638","0.0509","","","0.14","0.1477","","","","","","1.09","","","","has coordinates","301843","2025-08-21","01:58:45",""
"4515154","15.5743","0.0007","8.6442","0.0004","8.8487","0.0004","90","","90","","90","","1191.28","0.09","100","0.2","100","0.2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C15 H13 N O2 -","- C15 H13 N O2 -","- C60 H52 N4 O8 -","4","1","","Zheng, Hao; Ni, Cailing; Chen, Hang; Zha, Daijun; Hai, Yu; Ye, Hebo; You, Lei","Regulation of Axial Chirality through Dynamic Covalent Bond Constrained Biaryls.","ACS omega","2019","4","6","10273","10278","10.1021/acsomega.9b01273","","x-ray","1.54184","CuKα","","0.0442","0.04","","","0.1064","0.1111","","","","","","1.052","","","","has coordinates","301843","2025-08-21","01:58:45",""
"4515155","9.4539","0.0002","11.2454","0.0002","12.3556","0.0003","90","","106.31","0.002","90","","1260.7","0.05","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H15 N O2 -","- C16 H15 N O2 -","- C64 H60 N4 O8 -","4","1","","Zheng, Hao; Ni, Cailing; Chen, Hang; Zha, Daijun; Hai, Yu; Ye, Hebo; You, Lei","Regulation of Axial Chirality through Dynamic Covalent Bond Constrained Biaryls.","ACS omega","2019","4","6","10273","10278","10.1021/acsomega.9b01273","","","1.54184","CuKα","","0.0391","0.0367","","","0.0926","0.0944","","","","","","1.079","","","","has coordinates","301843","2025-08-21","01:58:45",""
"4515156","8.827","0.006","15.463","0.01","13.152","0.012","90","","109.534","0.013","90","","1692","2","173","2","173.15","","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C20 H22 N2 O -","- C20 H22 N2 O -","- C80 H88 N8 O4 -","4","1","","Zheng, Hao; Ni, Cailing; Chen, Hang; Zha, Daijun; Hai, Yu; Ye, Hebo; You, Lei","Regulation of Axial Chirality through Dynamic Covalent Bond Constrained Biaryls.","ACS omega","2019","4","6","10273","10278","10.1021/acsomega.9b01273","","","0.71073","MoKα","","0.0838","0.0473","","","0.0911","0.1031","","","","","","1.032","","","","has coordinates","301843","2025-08-21","01:58:45",""
"4515157","12.044","0.019","12.493","0.018","11.74","0.018","90","","115.85","0.03","90","","1590","4","173","2","173.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H19 N O2 -","- C18 H19 N O2 -","- C72 H76 N4 O8 -","4","1","","Zheng, Hao; Ni, Cailing; Chen, Hang; Zha, Daijun; Hai, Yu; Ye, Hebo; You, Lei","Regulation of Axial Chirality through Dynamic Covalent Bond Constrained Biaryls.","ACS omega","2019","4","6","10273","10278","10.1021/acsomega.9b01273","","","0.71073","MoKα","","0.1091","0.0703","","","0.1797","0.208","","","","","","1.033","","","","has coordinates","301843","2025-08-21","01:58:45",""
"4515158","12.22","0.004","12.058","0.003","12.183","0.004","90","","118.155","0.004","90","","1582.7","0.8","173","2","173.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H19 N O S -","- C18 H19 N O S -","- C72 H76 N4 O4 S4 -","4","1","","Zheng, Hao; Ni, Cailing; Chen, Hang; Zha, Daijun; Hai, Yu; Ye, Hebo; You, Lei","Regulation of Axial Chirality through Dynamic Covalent Bond Constrained Biaryls.","ACS omega","2019","4","6","10273","10278","10.1021/acsomega.9b01273","","","0.71073","MoKα","","0.053","0.0422","","","0.1227","0.13","","","","","","1.076","","","","has coordinates","301843","2025-08-21","01:58:45",""
"4515159","16.2066","0.0006","9.4121","0.0004","22.5224","0.0009","90","","90","","90","","3435.5","0.2","173","2","173.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C17 H19 N O2 S2 -","- C17 H19 N O2 S2 -","- C136 H152 N8 O16 S16 -","8","1","","Zheng, Hao; Ni, Cailing; Chen, Hang; Zha, Daijun; Hai, Yu; Ye, Hebo; You, Lei","Regulation of Axial Chirality through Dynamic Covalent Bond Constrained Biaryls.","ACS omega","2019","4","6","10273","10278","10.1021/acsomega.9b01273","","","0.71073","MoKα","","0.0884","0.0704","","","0.149","0.1572","","","","","","1.211","","","","has coordinates","301843","2025-08-21","01:58:45",""
"4515160","9.2098","0.0016","10.1883","0.0018","18.326","0.004","90","","90","","90","","1719.6","0.6","273","2","273.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H18 N O2 -","- C22 H19 N O2 -","- C88 H76 N4 O8 -","4","1","","Zheng, Hao; Ni, Cailing; Chen, Hang; Zha, Daijun; Hai, Yu; Ye, Hebo; You, Lei","Regulation of Axial Chirality through Dynamic Covalent Bond Constrained Biaryls.","ACS omega","2019","4","6","10273","10278","10.1021/acsomega.9b01273","","","0.71073","MoKα","","0.048","0.0401","","","0.1097","0.1207","","","","","","1.233","","","","has coordinates","220262","2020-10-21","18:00:00",""
"4515161","15.89","0.003","15.537","0.003","28.947","0.006","90","","93.24","0.03","90","","7135","2","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C4.61 H3.66 F0.41 N0.54 O0.68 Ru0.14 S0.14 -","- C4.61017 H3.66102 F0.40678 N0.542373 O0.677966 Ru0.135593 S0.135593 -","- C272 H216 F24 N32 O40 Ru8 S8 -","59","14.75","","Singh, Jatinder; Park, Dae Won; Kim, Dong Hwan; Singh, Nem; Kang, Se Chan; Chi, Ki-Whan","Coordination-Driven Self-Assembly of Triazole-Based Apoptosis-Inducible Metallomacrocycles.","ACS omega","2019","4","6","10810","10817","10.1021/acsomega.9b00093","","","0.71073","MoKα","","0.1151","0.1057","","","0.3053","0.3172","","","","","","1.404","","","","has coordinates","220263","2020-10-21","18:00:00",""
"4515162","11.716","0.0006","12.8272","0.0007","13.7268","0.0007","90","","91.441","0.004","90","","2062.26","0.19","200","","200","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Copper(II) Calcium(II) dimethoxysalen","","- C18 H18 Ca Cu N4 O10 -","- C18 H18 Ca Cu N4 O10 -","- C72 H72 Ca4 Cu4 N16 O40 -","4","1","","Finelli, Alba; Hérault, Nelly; Crochet, Aurélien; Fromm, Katharina M.","Compartmentalization of Alkaline-Earth Metals in Salen-Type Cu- and Ni-Complexes in Solution and in the Solid State.","ACS omega","2019","4","6","10231","10242","10.1021/acsomega.9b00365","","x-ray","0.71073","MoKα","","0.0742","0.0425","","","0.1007","0.1099","","","","","","0.906","","","","has coordinates","220264","2020-10-21","18:00:00",""
"4515163","11.6329","0.0005","16.1304","0.0007","23.2105","0.0011","79.04","0.004","87.041","0.004","89.654","0.004","4270.1","0.3","200","","200","","","","","","","","","6","P -1","-P 1","2","","Copper(II) Barium(II) dimethoxysalen","","- C36 H36 Ba Cu2 N6 O14 -","- C36 H36 Ba Cu2 N6 O14 -","- C144 H144 Ba4 Cu8 N24 O56 -","4","2","","Finelli, Alba; Hérault, Nelly; Crochet, Aurélien; Fromm, Katharina M.","Compartmentalization of Alkaline-Earth Metals in Salen-Type Cu- and Ni-Complexes in Solution and in the Solid State.","ACS omega","2019","4","6","10231","10242","10.1021/acsomega.9b00365","","x-ray","0.71073","MoKα","","0.0898","0.0495","","","0.1069","0.1201","","","","","","0.929","","","","has coordinates","301843","2025-08-21","01:58:45",""
"4515164","22.5345","0.0008","8.6074","0.0003","11.1107","0.0004","90","","90","","90","","2155.07","0.13","200","","200","","","","","","","","","6","P n a 21","P 2c -2n","33","","Nickel(II) Strontium(II) dimethoxysalen","","- C18 H20 N4 Ni O11 Sr -","- C18 H20 N4 Ni O11 Sr -","- C72 H80 N16 Ni4 O44 Sr4 -","4","1","","Finelli, Alba; Hérault, Nelly; Crochet, Aurélien; Fromm, Katharina M.","Compartmentalization of Alkaline-Earth Metals in Salen-Type Cu- and Ni-Complexes in Solution and in the Solid State.","ACS omega","2019","4","6","10231","10242","10.1021/acsomega.9b00365","","x-ray","0.71073","MoKα","","0.0285","0.0235","","","0.0506","0.052","","","","","","0.99","","","","has coordinates","220266","2020-10-21","18:00:00",""
"4515165","7.6984","0.0009","10.9592","0.0011","12.8941","0.0014","90.486","0.009","97.941","0.009","111.744","0.008","998.7","0.2","250","","250","","","","","","","","","6","P -1","-P 1","2","","Copper(II) Magnesium(II) dimethoxysalen","","- C18 H18 Cu Mg N4 O10 -","- C18 H18 Cu Mg N4 O10 -","- C36 H36 Cu2 Mg2 N8 O20 -","2","1","","Finelli, Alba; Hérault, Nelly; Crochet, Aurélien; Fromm, Katharina M.","Compartmentalization of Alkaline-Earth Metals in Salen-Type Cu- and Ni-Complexes in Solution and in the Solid State.","ACS omega","2019","4","6","10231","10242","10.1021/acsomega.9b00365","","x-ray","0.71073","MoKα","","0.1327","0.0922","","","0.223","0.2488","","","","","","0.931","","","","has coordinates","301843","2025-08-21","01:58:45",""
"4515166","11.632","0.002","16.114","0.003","23.382","0.006","100.388","0.017","92.814","0.018","90.137","0.016","4305.4","1.6","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C72 H68 Ba2 N12 Ni4 O28 -","- C72 H68 Ba2 N12 Ni4 O28 -","- C144 H136 Ba4 N24 Ni8 O56 -","2","1","","Finelli, Alba; Hérault, Nelly; Crochet, Aurélien; Fromm, Katharina M.","Compartmentalization of Alkaline-Earth Metals in Salen-Type Cu- and Ni-Complexes in Solution and in the Solid State.","ACS omega","2019","4","6","10231","10242","10.1021/acsomega.9b00365","","x-ray","0.71073","MoKα","","0.2806","0.0932","","","0.182","0.2628","","","","","","0.874","","","","has coordinates,has disorder","220268","2020-10-21","18:00:00",""
"4515167","8.4758","0.0004","11.105","0.0004","22.9166","0.0011","90","","99.045","0.004","90","","2130.17","0.16","200","","200","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Nickel(II) Calcium(II) dimethoxysalen","","- C18 H20 Ca N4 Ni O11 -","- C18 H20 Ca N4 Ni O11 -","- C72 H80 Ca4 N16 Ni4 O44 -","4","1","","Finelli, Alba; Hérault, Nelly; Crochet, Aurélien; Fromm, Katharina M.","Compartmentalization of Alkaline-Earth Metals in Salen-Type Cu- and Ni-Complexes in Solution and in the Solid State.","ACS omega","2019","4","6","10231","10242","10.1021/acsomega.9b00365","","x-ray","0.71073","MoKα","","0.0562","0.0353","","","0.0783","0.0843","","","","","","0.984","","","","has coordinates","220269","2020-10-21","18:00:00",""
"4515168","22.7055","0.0005","8.6682","0.0005","11.1732","0.0014","90","","90","","90","","2199.1","0.3","200","","200","","","","","","","","","6","P n a 21","P 2c -2n","33","","Copper(II) Strontium(II) dimethoxysalen","","- C18 H20 Cu N4 O11 Sr -","- C18 H20 Cu N4 O11 Sr -","- C72 H80 Cu4 N16 O44 Sr4 -","4","1","","Finelli, Alba; Hérault, Nelly; Crochet, Aurélien; Fromm, Katharina M.","Compartmentalization of Alkaline-Earth Metals in Salen-Type Cu- and Ni-Complexes in Solution and in the Solid State.","ACS omega","2019","4","6","10231","10242","10.1021/acsomega.9b00365","","x-ray","0.71073","MoKα","","0.0662","0.0395","","","0.0826","0.093","","","","","","1.031","","","","has coordinates","301843","2025-08-21","01:58:45",""
"4515169","8.2292","0.0008","11.4209","0.0011","11.5013","0.0011","83.169","0.008","84.59","0.008","85.07","0.008","1065.44","0.18","200","","200","","","","","","","","","6","P -1","-P 1","2","Nickel(II) Magnesium(II) dimethoxysalen","Nickel(II) Magnesium(II) dimethoxysalen","","- C18 H20 Mg N4 Ni O11 -","- C18 H20 Mg N4 Ni O11 -","- C36 H40 Mg2 N8 Ni2 O22 -","2","1","","Finelli, Alba; Hérault, Nelly; Crochet, Aurélien; Fromm, Katharina M.","Compartmentalization of Alkaline-Earth Metals in Salen-Type Cu- and Ni-Complexes in Solution and in the Solid State.","ACS omega","2019","4","6","10231","10242","10.1021/acsomega.9b00365","","x-ray","0.71073","MoKα","","0.0957","0.0644","","","0.1735","0.1934","","","","","","1.101","","","","has coordinates","220271","2020-10-21","18:00:00",""
"4515170","8.9673","0.0002","14.7355","0.0006","15.1832","0.0006","86.374","0.003","84.081","0.003","83.451","0.003","1979.86","0.12","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C23 H19 Ag1.5 Cl3 F3 N6 O3 S4 -","- C23 H19 Ag1.5 Cl3 F3 N6 O3 S4 -","- C46 H38 Ag3 Cl6 F6 N12 O6 S8 -","2","1","","Xue, Hui; Cao, Junze; Zhao, Liang; Hao, Haigang; Hong, Maochun","Conformation-Driven Self-Assembly: From a 1D Metal-Organic Polymer to an Infinite Double Nanotube.","ACS omega","2019","4","6","10755","10760","10.1021/acsomega.9b01344","","","1.54184","CuKα","","0.0602","0.0508","","","0.1272","0.1329","","","","","","1.038","","","","has coordinates","220272","2020-10-21","18:00:00",""
"4515171","12.7235","0.0004","16.2023","0.0006","17.4567","0.0007","75.874","0.003","88.149","0.003","70.57","0.003","3286.4","0.2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C55 H58 Ag3 F7 N14 O12 S8 -","- C44 H36 Ag3 F6 N12 O6 S8 -","- C88 H72 Ag6 F12 N24 O12 S16 -","2","1","","Xue, Hui; Cao, Junze; Zhao, Liang; Hao, Haigang; Hong, Maochun","Conformation-Driven Self-Assembly: From a 1D Metal-Organic Polymer to an Infinite Double Nanotube.","ACS omega","2019","4","6","10755","10760","10.1021/acsomega.9b01344","","","1.54184","CuKα","","0.0713","0.0591","","","0.1467","0.1542","","","","","","0.974","","","","has coordinates","220273","2020-10-21","18:00:00",""
"4515854","10.8541","0.0014","11.169","0.002","12.0753","0.0017","112.082","0.015","94.659","0.011","115.759","0.015","1168.1","0.4","150","0.1","150","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C25 H26 N2 O2 S2 -","- C25 H26 N2 O2 S2 -","- C50 H52 N4 O4 S4 -","2","1","","Gupta, Abhishek Kumar; Kumar, Ashwani; Singh, Ranjit; Devi, Manisha; Dhir, Abhimanew; Pradeep, Chullikkattil P.","Facile Synthesis of an Organic Solid State Near-Infrared-Emitter with Large Stokes Shift via Excited-State Intramolecular Proton Transfer.","ACS omega","2018","3","10","14341","14348","10.1021/acsomega.8b02116","","x-ray","0.71073","MoKα","","0.1491","0.0906","","","0.198","0.267","","","","","","0.961","","","","has coordinates","301843","2025-08-21","01:58:45",""
"4515855","10.0414","0.0004","15.0433","0.0006","15.5315","0.0006","93.055","0.003","107.51","0.004","106.789","0.004","2116.64","0.16","300","","300","","","","","","","","","5","P -1","-P 1","2","","","","- C23 H22 N2 O2 S2 -","- C23 H22 N2 O2 S2 -","- C92 H88 N8 O8 S8 -","4","2","","Gupta, Abhishek Kumar; Kumar, Ashwani; Singh, Ranjit; Devi, Manisha; Dhir, Abhimanew; Pradeep, Chullikkattil P.","Facile Synthesis of an Organic Solid State Near-Infrared-Emitter with Large Stokes Shift via Excited-State Intramolecular Proton Transfer.","ACS omega","2018","3","10","14341","14348","10.1021/acsomega.8b02116","","x-ray","1.54184","CuKα","","0.0606","0.0495","","","0.1576","0.1652","","","","","","1.139","","","","has coordinates","301843","2025-08-21","01:58:45",""
"4515856","5.2088","0.0003","9.272","0.0006","28.3737","0.0017","90","","90","","90","","1370.34","0.14","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H15 N O2 S -","- C15 H15 N O2 S -","- C60 H60 N4 O8 S4 -","4","1","","Gupta, Abhishek Kumar; Kumar, Ashwani; Singh, Ranjit; Devi, Manisha; Dhir, Abhimanew; Pradeep, Chullikkattil P.","Facile Synthesis of an Organic Solid State Near-Infrared-Emitter with Large Stokes Shift via Excited-State Intramolecular Proton Transfer.","ACS omega","2018","3","10","14341","14348","10.1021/acsomega.8b02116","","x-ray","1.54184","CuKα","","0.0681","0.0644","","","0.1756","0.1816","","","","","","1.036","","","","has coordinates","301843","2025-08-21","01:58:45",""
"4515857","16.9687","0.0007","9.905","0.0009","17.5869","0.001","90","","117.124","0.003","90","","2630.8","0.3","293","2","293","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H32 B N S2 -","- C28 H32 B N S2 -","- C112 H128 B4 N4 S8 -","4","1","","Li, Sheng-Yong; Sun, Zuo-Bang; Zhao, Cui-Hua","Impact of the 2,2'-Bithienyl Framework on the Charge-Transfer Emission of Triarylborane-Based o,o'-Substituted Biaryls.","ACS omega","2018","3","10","12730","12736","10.1021/acsomega.8b02004","","","0.71","MoKα","","0.0606","0.0518","","","0.1408","0.15","","","","","","1.098","","","","has coordinates","301843","2025-08-21","01:58:45",""
"4515858","8.0507","0.0005","16.79","0.001","25.3603","0.0012","90","","90","","90","","3428","0.3","298","2","298.15","","","","","","","","","5","P 21 c n","P -2n 2a","33","","","","- C40 H40 B N S2 -","- C40 H40 B N S2 -","- C160 H160 B4 N4 S8 -","4","1","","Li, Sheng-Yong; Sun, Zuo-Bang; Zhao, Cui-Hua","Impact of the 2,2'-Bithienyl Framework on the Charge-Transfer Emission of Triarylborane-Based o,o'-Substituted Biaryls.","ACS omega","2018","3","10","12730","12736","10.1021/acsomega.8b02004","","","0.71","MoKα","","0.061","0.0447","","","0.1054","0.1147","","","","","","1.038","","","","has coordinates","301843","2025-08-21","01:58:45",""
"4515859","27.173","0.009","18.901","0.006","23.601","0.012","90","","121.36","0.013","90","","10351","7","273","2","273","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C59 H44 Cl3 N2 O2 P2 Ru -","- C59 H44 Cl3 N2 O2 P2 Ru -","- C472 H352 Cl24 N16 O16 P16 Ru8 -","8","1","","Mondal, Sandip; Bera, Sachinath; Maity, Suvendu; Ghosh, Prasanta","Orthometalated <i>N</i>-(Benzophenoxazine)-<i>o</i>-aminophenol: Phenolato versus Phenoxyl States.","ACS omega","2018","3","10","13323","13334","10.1021/acsomega.8b01983","","","0.71073","MoKα","","0.1073","0.0631","","","0.1825","0.2238","","","","","","1.467","","","","has coordinates","225959","2020-10-21","18:00:00",""
"4515860","11.7693","0.0004","12.6976","0.0004","14.8599","0.0005","97.091","0.001","107.794","0.001","113.557","0.001","1859.94","0.11","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C41 H29 Br2 Cl2 N2 O2 Os P -","- C41 H29 Br2 Cl2 N2 O2 Os P -","- C82 H58 Br4 Cl4 N4 O4 Os2 P2 -","2","1","","Mondal, Sandip; Bera, Sachinath; Maity, Suvendu; Ghosh, Prasanta","Orthometalated <i>N</i>-(Benzophenoxazine)-<i>o</i>-aminophenol: Phenolato versus Phenoxyl States.","ACS omega","2018","3","10","13323","13334","10.1021/acsomega.8b01983","","","0.71073","MoKα","","0.0375","0.0335","","","0.1127","0.1198","","","","","","1.023","","","","has coordinates","225959","2020-10-21","18:00:00",""
"4515861","11.9432","0.0005","12.5744","0.0005","14.4985","0.0007","99.789","0.002","105.371","0.002","115.439","0.001","1792.33","0.14","141","2","141","2","","","","","","","","8","P -1","-P 1","2","","","","- C41 H29 Br2 Cl2 N2 O2 Os P -","- C41 H29 Br2 Cl2 N2 O2 Os P -","- C82 H58 Br4 Cl4 N4 O4 Os2 P2 -","2","1","","Mondal, Sandip; Bera, Sachinath; Maity, Suvendu; Ghosh, Prasanta","Orthometalated <i>N</i>-(Benzophenoxazine)-<i>o</i>-aminophenol: Phenolato versus Phenoxyl States.","ACS omega","2018","3","10","13323","13334","10.1021/acsomega.8b01983","","","0.71073","MoKα","","0.0432","0.0359","","","0.0876","0.0947","","","","","","0.99","","","","has coordinates","225959","2020-10-21","18:00:00",""
"4515862","19.593","0.005","17.367","0.005","18.153","0.005","90","0.005","108.269","0.005","90","0.005","5866","3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C67 H54 Cl2 N6 O8 Ru -","- C67 H54 Cl2 N6 O8 Ru -","- C268 H216 Cl8 N24 O32 Ru4 -","4","1","","Pal, Poulami; Mukherjee, Shruti; Maity, Dinesh; Baitalik, Sujoy","Synthesis, Photophysics, and Switchable Luminescence Properties of a New Class of Ruthenium(II)-Terpyridine Complexes Containing Photoisomerizable Styrylbenzene Units.","ACS omega","2018","3","10","14526","14537","10.1021/acsomega.8b01927","","","0.71073","MoKα","","0.0569","0.0419","","","0.1244","0.1339","","","","","","0.943","","","","has coordinates","225960","2020-10-21","18:00:00",""
"4515863","7.3587","0.0007","10.0065","0.0008","18.5152","0.001","90","","95.836","0.007","90","","1356.3","0.18","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H9 Br2 N3 -","- C14 H9 Br2 N3 -","- C56 H36 Br8 N12 -","4","1","","Chen, Zhengwang; Liang, Pei; Zheng, Jing; Zhou, Zhonggao; Wen, Xiaowei; Liu, Tanggao; Ye, Min","Cyanide-Free Ce(III)-Catalyzed Highly Efficient Synthesis of α-Iminonitriles from 2-Aminopyridines and Nitroalkenes via Intermolecular Dehydration Reaction.","ACS omega","2018","3","10","12520","12529","10.1021/acsomega.8b02214","","","0.71073","MoKα","","0.0807","0.044","","","0.0774","0.0915","","","","","","1.022","","","","has coordinates","301843","2025-08-21","01:58:45",""
"4515864","6.081","0.005","12.345","0.011","22.898","0.016","90","","93.02","0.02","90","","1717","2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","ethyl 5'-fluoro-3-(4-methoxyphenyl)-2'-oxospiro[cyclopropane-1,3'-indoline]-2-carboxylate","","- C20 H18 F N O4 -","- C20 H18 F N O4 -","- C80 H72 F4 N4 O16 -","4","1","","Ramu, Gopathi; Hari Krishna, Namballa; Pawar, Gaurav; Visweswara Sastry, K. N.; Nanubolu, Jagadeesh Babu; Nagendra Babu, Bathini","Solvent-Controlled, Tunable Domino Reaction of 3-Ylideneoxindoles with in Situ-Generated α-Aryldiazomethanes: A Facile Access to 3-Spirocyclopropyl-2-oxindole and Pyrazoloquinazolinone Scaffolds.","ACS omega","2018","3","10","12349","12360","10.1021/acsomega.8b01857","","","0.71073","MoKα","","0.1137","0.0643","","","0.1539","0.1784","","","","","","1.072","","","","has coordinates","301843","2025-08-21","01:58:45",""
"4515865","10.5066","0.0007","35.89","0.003","9.3401","0.0007","90","","103.633","0.004","90","","3422.8","0.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C38 H28 N8 O10 -","- C38 H28 N8 O10 -","- C152 H112 N32 O40 -","4","1","","Ramu, Gopathi; Hari Krishna, Namballa; Pawar, Gaurav; Visweswara Sastry, K. N.; Nanubolu, Jagadeesh Babu; Nagendra Babu, Bathini","Solvent-Controlled, Tunable Domino Reaction of 3-Ylideneoxindoles with in Situ-Generated α-Aryldiazomethanes: A Facile Access to 3-Spirocyclopropyl-2-oxindole and Pyrazoloquinazolinone Scaffolds.","ACS omega","2018","3","10","12349","12360","10.1021/acsomega.8b01857","","","0.71073","MoKα","","0.1255","0.0631","","","0.1484","0.1786","","","","","","1.011","","","","has coordinates,has disorder","301843","2025-08-21","01:58:45",""
"4515866","11.8035","0.0016","15.125","0.002","28.887","0.004","90","","90","","90","","5157.1","1.2","150","2","150","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C49 H60 Br2 Cl2 N8 O4 Pt2 -","- C49 H60 Br2 Cl2 N8 O4 Pt2 -","- C196 H240 Br8 Cl8 N32 O16 Pt8 -","4","0.5","","McCready, Matthew S.; Puddephatt, Richard J.","Supramolecular Organoplatinum(IV) Chemistry: Dimers and Polymers Formed by Intermolecular Hydrogen Bonding.","ACS omega","2018","3","10","13621","13629","10.1021/acsomega.8b01860","","","0.71073","MoKα","","0.1171","0.0637","","","0.1439","0.1692","","","","","","1.081","","","","has coordinates","225964","2020-10-21","18:00:00",""
"4515867","9.0266","0.0005","20.43","0.0009","14.744","0.0006","90","","94.271","0.004","90","","2711.4","0.2","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H33 Br N4 O2 Pt -","- C30 H33 Br N4 O2 Pt -","- C120 H132 Br4 N16 O8 Pt4 -","4","1","","McCready, Matthew S.; Puddephatt, Richard J.","Supramolecular Organoplatinum(IV) Chemistry: Dimers and Polymers Formed by Intermolecular Hydrogen Bonding.","ACS omega","2018","3","10","13621","13629","10.1021/acsomega.8b01860","","","0.71073","MoKα","","0.0893","0.0463","","","0.086","0.1","","","","","","1.005","","","","has coordinates","225964","2020-10-21","18:00:00",""
"4515868","10.258","0.002","10.484","0.002","16.122","0.003","80.57","0.03","80.05","0.03","72.63","0.03","1618.2","0.6","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C32 H37 Br Cl2 N4 O2 Pt -","- C32 H37 Br Cl2 N4 O2 Pt -","- C64 H74 Br2 Cl4 N8 O4 Pt2 -","2","1","","McCready, Matthew S.; Puddephatt, Richard J.","Supramolecular Organoplatinum(IV) Chemistry: Dimers and Polymers Formed by Intermolecular Hydrogen Bonding.","ACS omega","2018","3","10","13621","13629","10.1021/acsomega.8b01860","","","0.71073","MoKα","","0.0453","0.0389","","","0.1045","0.1209","","","","","","1.097","","","","has coordinates,has disorder","225964","2020-10-21","18:00:00",""
"4515869","18.083","0.003","12.964","0.002","8.3848","0.0014","90","","92.263","0.004","90","","1964.1","0.6","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H23 Br N4 Pt -","- C21 H23 Br N4 Pt -","- C84 H92 Br4 N16 Pt4 -","4","1","","McCready, Matthew S.; Puddephatt, Richard J.","Supramolecular Organoplatinum(IV) Chemistry: Dimers and Polymers Formed by Intermolecular Hydrogen Bonding.","ACS omega","2018","3","10","13621","13629","10.1021/acsomega.8b01860","","","0.71073","MoKα","","0.0873","0.0454","","","0.089","0.1036","","","","","","1.018","","","","has coordinates","225964","2020-10-21","18:00:00",""
"4515870","9.7737","0.0005","10.0964","0.0005","36.9181","0.0017","90","","97.239","0.002","90","","3614","0.3","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C32 H37 Br Cl5 N4 O2 Pt -","- C32 H37 Br Cl5 N4 O2 Pt -","- C128 H148 Br4 Cl20 N16 O8 Pt4 -","4","1","","McCready, Matthew S.; Puddephatt, Richard J.","Supramolecular Organoplatinum(IV) Chemistry: Dimers and Polymers Formed by Intermolecular Hydrogen Bonding.","ACS omega","2018","3","10","13621","13629","10.1021/acsomega.8b01860","","","0.71073","MoKα","","0.0791","0.0479","","","0.1028","0.116","","","","","","1.006","","","","has coordinates","225964","2020-10-21","18:00:00",""
"4515871","8.8735","0.0006","10.971","0.0006","17.8017","0.0011","94.577","0.004","93.652","0.004","113.547","0.004","1574.96","0.18","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C32 H40 B Br N4 O3 Pt -","- C32 H40 B Br N4 O3 Pt -","- C64 H80 B2 Br2 N8 O6 Pt2 -","2","1","","McCready, Matthew S.; Puddephatt, Richard J.","Supramolecular Organoplatinum(IV) Chemistry: Dimers and Polymers Formed by Intermolecular Hydrogen Bonding.","ACS omega","2018","3","10","13621","13629","10.1021/acsomega.8b01860","","","0.71073","MoKα","","0.0972","0.0592","","","0.1169","0.1329","","","","","","1.055","","","","has coordinates","225964","2020-10-21","18:00:00",""
"4515872","9.8253","0.0003","9.9194","0.0003","19.4252","0.0006","103.365","0.002","95.89","0.002","99.558","0.002","1796.64","0.1","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C37 H50 B Br N4 O4 Pt -","- C37 H50 B Br N4 O4 Pt -","- C74 H100 B2 Br2 N8 O8 Pt2 -","2","1","","McCready, Matthew S.; Puddephatt, Richard J.","Supramolecular Organoplatinum(IV) Chemistry: Dimers and Polymers Formed by Intermolecular Hydrogen Bonding.","ACS omega","2018","3","10","13621","13629","10.1021/acsomega.8b01860","","","0.71073","MoKα","","0.0724","0.0449","","","0.0834","0.0926","","","","","","1.042","","","","has coordinates","225964","2020-10-21","18:00:00",""
"4515873","12.59","0.03","19.81","0.05","18.88","0.04","90","","97.17","0.02","90","","4672","19","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H17 N3 O4 S3 -","- C23 H17 N3 O4 S3 -","- C184 H136 N24 O32 S24 -","8","2","","Singsardar, Mukta; Mondal, Susmita; Sarkar, Rajib; Hajra, Alakananda","(Diacetoxy)iodobenzene-Mediated Regioselective Imidation of Imidazoheterocycles with <i>N</i>-Fluorobenzenesulfonimide.","ACS omega","2018","3","10","12505","12512","10.1021/acsomega.8b02088","","","0.71073","MoKα","","0.1507","0.0931","","","0.2481","0.293","","","","","","1.803","","","","has coordinates","225965","2020-10-21","18:00:00",""
"4515874","20.702","0.002","20.702","0.002","16.158","0.002","90","","90","","120","","5997.1","1.1","200","2","200","2","","","","","","","","6","P 63/m","-P 6c","176","","","","- C27 H45 Cl Mo3 O10 S4 -","- C27 H46 Cl Mo3 O10 S4 -","- C162 H276 Cl6 Mo18 O60 S24 -","6","0.5","","Fu, Dong; Fabre, Bruno; Loget, Gabriel; Mériadec, Cristelle; Ababou-Girard, Soraya; Cadot, Emmanuel; Leclerc-Laronze, Nathalie; Marrot, Jérôme; de Ponfilly, Quentin","Polyoxothiometalate-Derivatized Silicon Photocathodes for Sunlight-Driven Hydrogen Evolution Reaction.","ACS omega","2018","3","10","13837","13849","10.1021/acsomega.8b01734","","","0.71073","MoKα","","0.0566","0.05","","","0.1298","0.1353","","","","","","1.147","","","","has coordinates","225966","2020-10-21","18:00:00",""
"4515875","31.177","0.003","6.1229","0.0005","14.3335","0.0012","90","","113.771","0.002","90","","2504","0.4","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","N-Phenylformamide","N-Phenylformamide","","- C7 H7 N O -","- C7 H7 N O -","- C112 H112 N16 O16 -","16","2","","Pagliari, Anderson B.; Orlando, Tainára; Salbego, Paulo R. S.; Zimmer, Geórgia C; Hörner, Manfredo; Zanatta, Nilo; Bonacorso, Helio G.; Martins, Marcos A. P.","Supramolecular Packing of a Series of <i>N</i>-Phenylamides and the Role of NH···O=C Interactions.","ACS omega","2018","3","10","13850","13861","10.1021/acsomega.8b01801","","","0.71073","MoKα","","0.0628","0.0396","","","0.0967","0.1099","","","","","","1.031","","","","has coordinates","225967","2020-10-21","18:00:00",""
"4515876","5.1753","0.0014","19.084","0.004","8.2765","0.0018","90","","90.302","0.009","90","","817.4","0.3","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","2,2,2-trifluoro-N-phenylacetamide","2,2,2-trifluoro-N-phenylacetamide","","- C8 H6 F3 N O -","- C8 H6 F3 N O -","- C32 H24 F12 N4 O4 -","4","2","","Pagliari, Anderson B.; Orlando, Tainára; Salbego, Paulo R. S.; Zimmer, Geórgia C; Hörner, Manfredo; Zanatta, Nilo; Bonacorso, Helio G.; Martins, Marcos A. P.","Supramolecular Packing of a Series of <i>N</i>-Phenylamides and the Role of NH···O=C Interactions.","ACS omega","2018","3","10","13850","13861","10.1021/acsomega.8b01801","","x-ray","0.71073","MoKα","","0.1606","0.0818","","","0.1846","0.2344","","","","","","1.052","","","","has coordinates","301843","2025-08-21","01:58:45",""
"4515877","9.969","0.003","10.642","0.003","10.172","0.003","90","","90","","90","","1079.1","0.5","298","2","298","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","N-(Phenyl)-2,2,2-trimethylacetamide","","- C11 H15 N O -","- C11 H15 N O -","- C44 H60 N4 O4 -","4","1","","Pagliari, Anderson B.; Orlando, Tainára; Salbego, Paulo R. S.; Zimmer, Geórgia C; Hörner, Manfredo; Zanatta, Nilo; Bonacorso, Helio G.; Martins, Marcos A. P.","Supramolecular Packing of a Series of <i>N</i>-Phenylamides and the Role of NH···O=C Interactions.","ACS omega","2018","3","10","13850","13861","10.1021/acsomega.8b01801","","","0.71069","MoKα","","0.0387","0.0368","","","0.0902","0.0924","","","","","","1.123","","","","has coordinates","301843","2025-08-21","01:58:46",""
"4515878","9.371","0.0009","7.7868","0.0008","19.5301","0.0019","90","","90","","90","","1425.1","0.2","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","acetanilide","","","- C8 H9 N O -","- C8 H9 N O -","- C64 H72 N8 O8 -","8","1","","Pagliari, Anderson B.; Orlando, Tainára; Salbego, Paulo R. S.; Zimmer, Geórgia C; Hörner, Manfredo; Zanatta, Nilo; Bonacorso, Helio G.; Martins, Marcos A. P.","Supramolecular Packing of a Series of <i>N</i>-Phenylamides and the Role of NH···O=C Interactions.","ACS omega","2018","3","10","13850","13861","10.1021/acsomega.8b01801","","x-ray","0.71073","MoKα","","0.067","0.025","","","","0.042","0.028","","","","","1.314","","","","has coordinates","301843","2025-08-21","01:58:46",""
"4515879","5.352","0.006","7.971","0.008","12.471","0.013","73.23","0.02","79.202","0.019","89.85","0.02","499.6","0.9","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H11 N O -","- C13 H11 N O -","- C26 H22 N2 O2 -","2","1","","Pagliari, Anderson B.; Orlando, Tainára; Salbego, Paulo R. S.; Zimmer, Geórgia C; Hörner, Manfredo; Zanatta, Nilo; Bonacorso, Helio G.; Martins, Marcos A. P.","Supramolecular Packing of a Series of <i>N</i>-Phenylamides and the Role of NH···O=C Interactions.","ACS omega","2018","3","10","13850","13861","10.1021/acsomega.8b01801","","","0.71073","MoKα","","0.084","0.0646","","","0.177","0.1886","","","","","","0.96","","","","has coordinates","225971","2020-10-21","18:00:00",""
"4515880","10.1863","0.0008","9.1483","0.0007","11.8856","0.0009","90","","90","","90","","1107.59","0.15","299","2","299","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","2,2,2-Tribromo-<i>N</i>-phenylacetamide","","- C8 H6 Br3 N O -","- C8 H6 Br3 N O -","- C32 H24 Br12 N4 O4 -","4","1","","Pagliari, Anderson B.; Orlando, Tainára; Salbego, Paulo R. S.; Zimmer, Geórgia C; Hörner, Manfredo; Zanatta, Nilo; Bonacorso, Helio G.; Martins, Marcos A. P.","Supramolecular Packing of a Series of <i>N</i>-Phenylamides and the Role of NH···O=C Interactions.","ACS omega","2018","3","10","13850","13861","10.1021/acsomega.8b01801","","","1.5418","CuKα","","0.0818","0.0792","","","0.2325","0.2372","","","","","","1.053","","","","has coordinates","225972","2020-10-21","18:00:00",""
"4515881","12.3716","0.0006","9.6865","0.0003","20.7826","0.0013","90","","105.941","0.006","90","","2394.8","0.2","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C21 H22 N4 Ni O5 Pb S2 -","- C21 H22 N4 Ni O5 Pb S2 -","- C84 H88 N16 Ni4 O20 Pb4 S8 -","4","1","","Roy, Sourav; Halder, Soumi; Drew, Michael G. B.; Ray, Partha Pratim; Chattopadhyay, Shouvik","Fabrication of an Active Electronic Device Using a Hetero-bimetallic Coordination Polymer.","ACS omega","2018","3","10","12788","12796","10.1021/acsomega.8b02025","","","0.71073","MoKα","","0.0798","0.0538","","","0.0916","0.0987","","","","","","1.094","","","","has coordinates","225973","2020-10-21","18:00:00",""
"4515882","10.60195","0.00019","10.75301","0.00019","11.3032","0.0002","59.987","0.001","80.147","0.001","88.894","0.001","1096.03","0.04","123","2","123","2","","","","","","","","3","P -1","-P 1","2","3C(alpha)","","","- C24 H28 O8 -","- C24 H28 O8 -","- C48 H56 O16 -","2","1","","Nomura, Eisaku; Noda, Takumi; Gomi, Daiki; Mori, Hajime","Substituent Effect on the Formation of Arylindanes by Dimerization of Ferulic Acid and its Related Compounds.","ACS omega","2018","3","10","12746","12753","10.1021/acsomega.8b01953","","","1.54187","CuKα","","0.0926","0.0759","","","0.1905","0.2","","","","","","1.068","","","","has coordinates","301843","2025-08-21","01:58:46",""
"4515883","8.7988","0.00016","10.50228","0.00019","13.8851","0.0003","89.745","0.001","76.69","0.001","79.141","0.001","1225.25","0.04","296","2","296","2","","","","","","","","3","P -1","-P 1","2","5b","","","- C26 H32 O10 -","- C26 H32 O10 -","- C52 H64 O20 -","2","1","","Nomura, Eisaku; Noda, Takumi; Gomi, Daiki; Mori, Hajime","Substituent Effect on the Formation of Arylindanes by Dimerization of Ferulic Acid and its Related Compounds.","ACS omega","2018","3","10","12746","12753","10.1021/acsomega.8b01953","","","1.54187","CuKα","","0.0527","0.0435","","","0.1183","0.127","","","","","","1.07","","","","has coordinates","301843","2025-08-21","01:58:46",""
"4515884","13.5461","0.0018","25.518","0.003","47.112","0.006","90","","94.719","0.003","90","","16230","4","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C62 H34 Cl2 Co15 N2 O38 Pd9 -","- C62 H34 Cl2 Co15 N2 O38 Pd9 -","- C496 H272 Cl16 Co120 N16 O304 Pd72 -","8","2","","Berti, Beatrice; Ciabatti, Iacopo; Femoni, Cristina; Iapalucci, Maria Carmela; Zacchini, Stefano","Cluster Core Isomerism Induced by Crystal Packing Effects in the [HCo<sub>15</sub>Pd<sub>9</sub>C<sub>3</sub>(CO)<sub>38</sub>]<sup>2-</sup> Molecular Nanocluster.","ACS omega","2018","3","10","13239","13250","10.1021/acsomega.8b02109","","","0.71073","MoKα","","0.1101","0.086","","","0.1491","0.1582","","","","","","1.248","","","","has coordinates,has disorder","225976","2020-10-21","18:00:00",""
"4515885","25.9095","0.0015","12.7628","0.0007","25.9267","0.0015","90","","90","","90","","8573.4","0.8","100","2","100","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C63 H36 Cl4 Co15 N2 O38 Pd9 -","- C63 H36 Cl4 Co15 N2 O38 Pd9 -","- C252 H144 Cl16 Co60 N8 O152 Pd36 -","4","1","","Berti, Beatrice; Ciabatti, Iacopo; Femoni, Cristina; Iapalucci, Maria Carmela; Zacchini, Stefano","Cluster Core Isomerism Induced by Crystal Packing Effects in the [HCo<sub>15</sub>Pd<sub>9</sub>C<sub>3</sub>(CO)<sub>38</sub>]<sup>2-</sup> Molecular Nanocluster.","ACS omega","2018","3","10","13239","13250","10.1021/acsomega.8b02109","","","0.71073","MoKα","","0.118","0.1166","","","0.3128","0.3135","","","","","","1.174","","","","has coordinates,has disorder","225976","2020-10-21","18:00:00",""
"4515886","12.9658","0.0007","36.928","0.002","18.5192","0.001","90","","98.141","0.003","90","","8777.7","0.8","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C68 H46 Cl2 Co15 N2 O38 Pd9 -","- C68 H46 Cl2 Co15 N2 O38 Pd9 -","- C272 H184 Cl8 Co60 N8 O152 Pd36 -","4","1","","Berti, Beatrice; Ciabatti, Iacopo; Femoni, Cristina; Iapalucci, Maria Carmela; Zacchini, Stefano","Cluster Core Isomerism Induced by Crystal Packing Effects in the [HCo<sub>15</sub>Pd<sub>9</sub>C<sub>3</sub>(CO)<sub>38</sub>]<sup>2-</sup> Molecular Nanocluster.","ACS omega","2018","3","10","13239","13250","10.1021/acsomega.8b02109","","","0.71073","MoKα","","0.0396","0.0303","","","0.0678","0.0724","","","","","","1.065","","","","has coordinates,has disorder","225976","2020-10-21","18:00:00",""
"4515887","13.0934","0.0006","37.1883","0.0017","18.6966","0.0009","90","","97.344","0.002","90","","9029.1","0.7","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C68 H46 Cl2 Co15 N2 O38 Pd9 -","- C68 H46 Cl2 Co15 N2 O38 Pd9 -","- C272 H184 Cl8 Co60 N8 O152 Pd36 -","4","1","","Berti, Beatrice; Ciabatti, Iacopo; Femoni, Cristina; Iapalucci, Maria Carmela; Zacchini, Stefano","Cluster Core Isomerism Induced by Crystal Packing Effects in the [HCo<sub>15</sub>Pd<sub>9</sub>C<sub>3</sub>(CO)<sub>38</sub>]<sup>2-</sup> Molecular Nanocluster.","ACS omega","2018","3","10","13239","13250","10.1021/acsomega.8b02109","","","0.71073","MoKα","","0.0916","0.0539","","","0.119","0.1359","","","","","","1.031","","","","has coordinates,has disorder","225976","2020-10-21","18:00:00",""
"4515888","12.6823","0.0007","12.8975","0.0007","30.7793","0.0018","95.725","0.003","98.686","0.003","94.004","0.003","4933.5","0.5","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C81.5 H41 Cl5 Co15 O38 P2 Pd9 -","- C81.5 H41 Cl5 Co15 O38 P2 Pd9 -","- C163 H82 Cl10 Co30 O76 P4 Pd18 -","2","1","","Berti, Beatrice; Ciabatti, Iacopo; Femoni, Cristina; Iapalucci, Maria Carmela; Zacchini, Stefano","Cluster Core Isomerism Induced by Crystal Packing Effects in the [HCo<sub>15</sub>Pd<sub>9</sub>C<sub>3</sub>(CO)<sub>38</sub>]<sup>2-</sup> Molecular Nanocluster.","ACS omega","2018","3","10","13239","13250","10.1021/acsomega.8b02109","","","0.71073","MoKα","","0.0658","0.0502","","","0.1319","0.1435","","","","","","1.032","","","","has coordinates,has disorder","225976","2020-10-21","18:00:00",""
"4515889","13.0138","0.0007","13.0903","0.0007","31.023","0.0016","96.767","0.003","99.948","0.003","93.099","0.003","5154.2","0.5","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C81.5 H41 Cl5 Co15 O38 P2 Pd9 -","- C81.5 H41 Cl5 Co15 O38 P2 Pd9 -","- C163 H82 Cl10 Co30 O76 P4 Pd18 -","2","1","","Berti, Beatrice; Ciabatti, Iacopo; Femoni, Cristina; Iapalucci, Maria Carmela; Zacchini, Stefano","Cluster Core Isomerism Induced by Crystal Packing Effects in the [HCo<sub>15</sub>Pd<sub>9</sub>C<sub>3</sub>(CO)<sub>38</sub>]<sup>2-</sup> Molecular Nanocluster.","ACS omega","2018","3","10","13239","13250","10.1021/acsomega.8b02109","","","0.71073","MoKα","","0.0685","0.0496","","","0.1252","0.1367","","","","","","1.051","","","","has coordinates,has disorder","225976","2020-10-21","18:00:00",""
"4515890","18.8375","0.0014","18.8375","0.0014","22.4956","0.0019","90","","90","","120","","6913.1","0.9","100","2","100","2","","","","","","","","6","R 3 :H","R 3","146","","","","- C79 H36 Co15 O38 P2 Pd9 -","- C79 H35.9994 Co15 O38 P2 Pd9 -","- C237 H107.998 Co45 O114 P6 Pd27 -","3","0.333333","","Berti, Beatrice; Ciabatti, Iacopo; Femoni, Cristina; Iapalucci, Maria Carmela; Zacchini, Stefano","Cluster Core Isomerism Induced by Crystal Packing Effects in the [HCo<sub>15</sub>Pd<sub>9</sub>C<sub>3</sub>(CO)<sub>38</sub>]<sup>2-</sup> Molecular Nanocluster.","ACS omega","2018","3","10","13239","13250","10.1021/acsomega.8b02109","","","0.71073","MoKα","","0.038","0.0307","","","0.0698","0.0743","","","","","","1.007","","","","has coordinates","225976","2020-10-21","18:00:00",""
"4515891","18.9827","0.0005","18.9827","0.0005","22.7666","0.0014","90","","90","","120","","7104.7","0.5","293","2","293","2","","","","","","","","6","R 3 :H","R 3","146","","","","- C79 H36 Co15 O38 P2 Pd9 -","- C79 H35.9994 Co15 O38 P2 Pd9 -","- C237 H107.998 Co45 O114 P6 Pd27 -","3","0.333333","","Berti, Beatrice; Ciabatti, Iacopo; Femoni, Cristina; Iapalucci, Maria Carmela; Zacchini, Stefano","Cluster Core Isomerism Induced by Crystal Packing Effects in the [HCo<sub>15</sub>Pd<sub>9</sub>C<sub>3</sub>(CO)<sub>38</sub>]<sup>2-</sup> Molecular Nanocluster.","ACS omega","2018","3","10","13239","13250","10.1021/acsomega.8b02109","","","0.71073","MoKα","","0.0497","0.0387","","","0.0935","0.1017","","","","","","1.034","","","","has coordinates","225976","2020-10-21","18:00:00",""
"4515892","12.7371","0.0009","13.5459","0.001","28.843","0.002","93.292","0.002","93.675","0.002","111.909","0.002","4589.7","0.6","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C72 H50 Cl2 Co15 N3 O38 Pd9 -","- C72 H50 Cl2 Co15 N3 O38 Pd9 -","- C144 H100 Cl4 Co30 N6 O76 Pd18 -","2","1","","Berti, Beatrice; Ciabatti, Iacopo; Femoni, Cristina; Iapalucci, Maria Carmela; Zacchini, Stefano","Cluster Core Isomerism Induced by Crystal Packing Effects in the [HCo<sub>15</sub>Pd<sub>9</sub>C<sub>3</sub>(CO)<sub>38</sub>]<sup>2-</sup> Molecular Nanocluster.","ACS omega","2018","3","10","13239","13250","10.1021/acsomega.8b02109","","","0.71073","MoKα","","0.1008","0.0632","","","0.1163","0.1285","","","","","","1.06","","","","has coordinates,has disorder","225976","2020-10-21","18:00:00",""
"4515893","39.915","0.003","12.8254","0.0008","17.5401","0.0011","90","","90","","90","","8979.2","1","100","2","100","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C72 H50 Cl2 Co15 N3 O38 Pd9 -","- C72 H50 Cl2 Co15 N3 O38 Pd9 -","- C288 H200 Cl8 Co60 N12 O152 Pd36 -","4","1","","Berti, Beatrice; Ciabatti, Iacopo; Femoni, Cristina; Iapalucci, Maria Carmela; Zacchini, Stefano","Cluster Core Isomerism Induced by Crystal Packing Effects in the [HCo<sub>15</sub>Pd<sub>9</sub>C<sub>3</sub>(CO)<sub>38</sub>]<sup>2-</sup> Molecular Nanocluster.","ACS omega","2018","3","10","13239","13250","10.1021/acsomega.8b02109","","","0.71073","MoKα","","0.0354","0.0342","","","0.0805","0.081","","","","","","1.104","","","","has coordinates,has disorder","225976","2020-10-21","18:00:00",""
"4515894","12.7433","0.0012","16.7009","0.0016","28.227","0.003","90.39","0.002","94.828","0.002","112.141","0.002","5539.8","1","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C99 H56 Cl2 Co15 O38 P3 Pd9 -","- C99 H56 Cl2 Co15 O38 P3 Pd9 -","- C198 H112 Cl4 Co30 O76 P6 Pd18 -","2","1","","Berti, Beatrice; Ciabatti, Iacopo; Femoni, Cristina; Iapalucci, Maria Carmela; Zacchini, Stefano","Cluster Core Isomerism Induced by Crystal Packing Effects in the [HCo<sub>15</sub>Pd<sub>9</sub>C<sub>3</sub>(CO)<sub>38</sub>]<sup>2-</sup> Molecular Nanocluster.","ACS omega","2018","3","10","13239","13250","10.1021/acsomega.8b02109","","","0.71073","MoKα","","0.0492","0.0362","","","0.0654","0.0686","","","","","","1.058","","","","has coordinates,has disorder","225976","2020-10-21","18:00:00",""
"4515895","11.9099","0.0007","21.2639","0.0013","25.6686","0.0015","114.096","0.001","90.729","0.001","100.805","0.001","5800","0.6","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C43 H18 Cl2 Co13 N O29 Pd3 -","- C43 H18 Cl2 Co13 N O29 Pd3 -","- C172 H72 Cl8 Co52 N4 O116 Pd12 -","4","2","","Berti, Beatrice; Ciabatti, Iacopo; Femoni, Cristina; Iapalucci, Maria Carmela; Zacchini, Stefano","Cluster Core Isomerism Induced by Crystal Packing Effects in the [HCo<sub>15</sub>Pd<sub>9</sub>C<sub>3</sub>(CO)<sub>38</sub>]<sup>2-</sup> Molecular Nanocluster.","ACS omega","2018","3","10","13239","13250","10.1021/acsomega.8b02109","","","0.71073","MoKα","","0.0601","0.0401","","","0.0729","0.0783","","","","","","1.057","","","","has coordinates","225976","2020-10-21","18:00:00",""
"4515896","11.3488","0.0004","13.6232","0.0004","14.1177","0.0005","62.07","0.002","79.979","0.002","69.75","0.002","1809.07","0.11","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C58 H72 Co8 N2 O24 Pd4 -","- C58 H72 Co8 N2 O24 Pd4 -","- C58 H72 Co8 N2 O24 Pd4 -","1","0.5","","Berti, Beatrice; Ciabatti, Iacopo; Femoni, Cristina; Iapalucci, Maria Carmela; Zacchini, Stefano","Cluster Core Isomerism Induced by Crystal Packing Effects in the [HCo<sub>15</sub>Pd<sub>9</sub>C<sub>3</sub>(CO)<sub>38</sub>]<sup>2-</sup> Molecular Nanocluster.","ACS omega","2018","3","10","13239","13250","10.1021/acsomega.8b02109","","","0.71073","MoKα","","0.0643","0.0435","","","0.1074","0.1253","","","","","","1.05","","","","has coordinates,has disorder","225976","2020-10-21","18:00:00",""
"4515897","11.4009","0.0016","13.94","0.002","14.213","0.002","62.21","0.002","78.778","0.002","69.642","0.002","1872.1","0.5","292","2","292","2","","","","","","","","6","P -1","-P 1","2","","","","- C58 H72 Co8 N2 O24 Pt4 -","- C58 H72 Co7.992 N2 O24 Pt4.008 -","- C58 H72 Co7.992 N2 O24 Pt4.008 -","1","0.5","","Berti, Beatrice; Ciabatti, Iacopo; Femoni, Cristina; Iapalucci, Maria Carmela; Zacchini, Stefano","Cluster Core Isomerism Induced by Crystal Packing Effects in the [HCo<sub>15</sub>Pd<sub>9</sub>C<sub>3</sub>(CO)<sub>38</sub>]<sup>2-</sup> Molecular Nanocluster.","ACS omega","2018","3","10","13239","13250","10.1021/acsomega.8b02109","","","0.71073","MoKα","","0.074","0.0508","","","0.1415","0.1576","","","","","","1.044","","","","has coordinates","225976","2020-10-21","18:00:00",""
"4515898","4.034","0.0003","13.7987","0.0013","8.7445","0.0007","90","","97.123","0.001","90","","483","0.07","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C0 H0 Cl3 Cu K -","- Cl3 Cu K -","- Cl12 Cu4 K4 -","4","1","","Zhou, Huawei; Liu, Xuejing; He, Guohang; Fan, Lin; Shi, Shaozhen; Wei, Jiazhen; Xu, Wenli; Yuan, Cang; Chai, Ning; Chen, Baoli; Zhang, Yingtian; Zhang, Xianxi; Zhao, Jinsheng; Wei, Xinting; Yin, Jie; Tian, Dongxu","Synthesis, Crystal Structure, UV-Vis Adsorption Properties, Photoelectric Behavior, and DFT Computational Study of All-Inorganic and Lead-Free Copper Halide Salt K<sub>2</sub>Cu<sub>2</sub>Cl<sub>6</sub>.","ACS omega","2018","3","10","14021","14026","10.1021/acsomega.8b01337","","","0.71073","MoKα","","0.0467","0.0429","","","0.1081","0.1128","","","","","","0.842","","","","has coordinates","225977","2020-10-21","18:00:00",""
"4515899","10.08","0.0004","17.9664","0.0008","12.4991","0.0006","90","","96.773","0.002","90","","2247.81","0.17","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C38 H36 Cl4 Cu2 N8 O12 Zn2 -","- C38 H36 Cl4 Cu2 N8 O12 Zn2 -","- C76 H72 Cl8 Cu4 N16 O24 Zn4 -","2","0.5","","Majumder, Ishani; Chakraborty, Prateeti; Álvarez, Raquel; Gonzalez-Diaz, Myriam; Peláez, Rafael; Ellahioui, Younes; Bauza, Antonio; Frontera, Antonio; Zangrando, Ennio; Gómez-Ruiz, Santiago; Das, Debasis","Bioactive Heterometallic Cu<sup>II</sup>-Zn<sup>II</sup> Complexes with Potential Biomedical Applications.","ACS omega","2018","3","10","13343","13353","10.1021/acsomega.8b01260","","","0.71073","MoKα","","0.0427","0.033","","","0.0826","0.0879","","","","","","1.03","","","","has coordinates","225978","2020-10-21","18:00:00",""
"4515900","10.3783","0.0018","20.893","0.004","10.1906","0.0018","90","","106.224","0.002","90","","2121.7","0.7","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C42 H36 Cl4 Cu2 N10 O4 Zn -","- C42 H36 Cl4 Cu2 N10 O4 Zn -","- C84 H72 Cl8 Cu4 N20 O8 Zn2 -","2","0.5","","Majumder, Ishani; Chakraborty, Prateeti; Álvarez, Raquel; Gonzalez-Diaz, Myriam; Peláez, Rafael; Ellahioui, Younes; Bauza, Antonio; Frontera, Antonio; Zangrando, Ennio; Gómez-Ruiz, Santiago; Das, Debasis","Bioactive Heterometallic Cu<sup>II</sup>-Zn<sup>II</sup> Complexes with Potential Biomedical Applications.","ACS omega","2018","3","10","13343","13353","10.1021/acsomega.8b01260","","","0.71073","MoKα","","0.0714","0.0452","","","0.1111","0.121","","","","","","1.009","","","","has coordinates","225980","2020-10-21","18:00:00",""
"4515901","10.0431","0.0009","19.9558","0.0019","11.4121","0.0011","90","","111.678","0.003","90","","2125.4","0.3","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C38 H36 Cl4 Cu2 N6 O11 Zn -","- C38 H36 Cl4 Cu2 N6 O11 Zn -","- C76 H72 Cl8 Cu4 N12 O22 Zn2 -","2","0.5","","Majumder, Ishani; Chakraborty, Prateeti; Álvarez, Raquel; Gonzalez-Diaz, Myriam; Peláez, Rafael; Ellahioui, Younes; Bauza, Antonio; Frontera, Antonio; Zangrando, Ennio; Gómez-Ruiz, Santiago; Das, Debasis","Bioactive Heterometallic Cu<sup>II</sup>-Zn<sup>II</sup> Complexes with Potential Biomedical Applications.","ACS omega","2018","3","10","13343","13353","10.1021/acsomega.8b01260","","","0.71073","MoKα","","0.0591","0.0402","","","0.0911","0.1003","","","","","","1.045","","","","has coordinates,has disorder","225981","2020-10-21","18:00:00",""
"4515902","9.7807","0.0016","16.605","0.003","13.616","0.002","90","","90.203","0.002","90","","2211.3","0.6","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C38 H36 Cl8 Cu2 N4 O4 Zn2 -","- C38 H36 Cl8 Cu2 N4 O4 Zn2 -","- C76 H72 Cl16 Cu4 N8 O8 Zn4 -","2","0.5","","Majumder, Ishani; Chakraborty, Prateeti; Álvarez, Raquel; Gonzalez-Diaz, Myriam; Peláez, Rafael; Ellahioui, Younes; Bauza, Antonio; Frontera, Antonio; Zangrando, Ennio; Gómez-Ruiz, Santiago; Das, Debasis","Bioactive Heterometallic Cu<sup>II</sup>-Zn<sup>II</sup> Complexes with Potential Biomedical Applications.","ACS omega","2018","3","10","13343","13353","10.1021/acsomega.8b01260","","","0.71073","MoKα","","0.0659","0.0425","","","0.1","0.11","","","","","","1.042","","","","has coordinates","225982","2020-10-21","18:00:00",""
"4515903","6.9256","0.0003","23.3181","0.001","11.7998","0.0005","90","","103.829","0.002","90","","1850.34","0.14","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C19 H18 Cl2 Cu N2 O2 -","- C19 H18 Cl2 Cu N2 O2 -","- C76 H72 Cl8 Cu4 N8 O8 -","4","1","","Majumder, Ishani; Chakraborty, Prateeti; Álvarez, Raquel; Gonzalez-Diaz, Myriam; Peláez, Rafael; Ellahioui, Younes; Bauza, Antonio; Frontera, Antonio; Zangrando, Ennio; Gómez-Ruiz, Santiago; Das, Debasis","Bioactive Heterometallic Cu<sup>II</sup>-Zn<sup>II</sup> Complexes with Potential Biomedical Applications.","ACS omega","2018","3","10","13343","13353","10.1021/acsomega.8b01260","","","0.71073","MoKα","","0.0603","0.0455","","","0.1261","0.138","","","","","","1.033","","","","has coordinates","301843","2025-08-21","01:58:46",""
"4515904","13.0575","0.0014","17.6855","0.0019","17.644","0.002","90","","103.694","0.009","90","","3958.7","0.8","173","2","173","2","","","","","","","","6","I 1 a 1","I -2ya","9","","","","- C41 H45 F6 N4 O4 P -","- C41 H45 F6 N4 O4 P -","- C164 H180 F24 N16 O16 P4 -","4","1","","Greenlee, Andrew J.; Ofosu, Charles K.; Xiao, Qifan; Modan, Mohammed M.; Janzen, Daron E.; Cao, Dennis D.","Pyridinium-Functionalized Pyromellitic Diimides with Stabilized Radical Anion States.","ACS omega","2018","3","1","240","245","10.1021/acsomega.7b01887","","","0.71075","MoKα","","0.052","0.0465","","","0.1179","0.1218","","","","","","1.031","","","","has coordinates","301843","2025-08-21","01:58:46",""
"4515905","21.969","0.004","17.259","0.003","20.669","0.003","90","","96.021","0.002","90","","7794","2","297","","297","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C19 H25 N3 O5 -","- C19 H25 N3 O5 -","- C304 H400 N48 O80 -","16","2","","Hu, Xing-Mei; Luo, Da-Yun; Zi, Quan-Xing; Lin, Jun; Yan, Sheng-Jiao","Diastereoselective Synthesis of Morphan Derivatives by Michael and Hetero-Michael Addition of 1,1-Enediamines to Quinone Monoketals.","ACS omega","2018","3","1","8","21","10.1021/acsomega.7b01493","","","0.71073","MoKα","","0.1522","0.0643","","","0.1321","0.1639","","","","","","0.995","","","","has coordinates,has disorder","301843","2025-08-21","01:58:46",""
"4515906","7.372","0.002","19.312","0.006","13.785","0.004","90","","105.509","0.003","90","","1891.1","1","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H22 Cl N3 O5 -","- C18 H22 Cl N3 O5 -","- C72 H88 Cl4 N12 O20 -","4","1","","Hu, Xing-Mei; Luo, Da-Yun; Zi, Quan-Xing; Lin, Jun; Yan, Sheng-Jiao","Diastereoselective Synthesis of Morphan Derivatives by Michael and Hetero-Michael Addition of 1,1-Enediamines to Quinone Monoketals.","ACS omega","2018","3","1","8","21","10.1021/acsomega.7b01493","","","0.71073","MoKα","","0.1879","0.1322","","","0.4035","0.4392","","","","","","1.032","","","","has coordinates","301843","2025-08-21","01:58:46",""
"4515907","17.67","0.03","8.064","0.012","12.926","0.019","90","","102.53","0.02","90","","1798","5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H21 N3 O5 -","- C17 H21 N3 O5 -","- C68 H84 N12 O20 -","4","1","","Hu, Xing-Mei; Luo, Da-Yun; Zi, Quan-Xing; Lin, Jun; Yan, Sheng-Jiao","Diastereoselective Synthesis of Morphan Derivatives by Michael and Hetero-Michael Addition of 1,1-Enediamines to Quinone Monoketals.","ACS omega","2018","3","1","8","21","10.1021/acsomega.7b01493","","","0.71073","MoKα","","0.1334","0.0613","","","0.1397","0.1752","","","","","","0.967","","","","has coordinates","301843","2025-08-21","01:58:46",""
"4515908","8.3233","0.0015","8.3363","0.0015","17.223","0.003","102.674","0.002","97.734","0.002","98.563","0.002","1135.5","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H25 F2 N3 O5 -","- C24 H25 F2 N3 O5 -","- C48 H50 F4 N6 O10 -","2","1","","Hu, Xing-Mei; Luo, Da-Yun; Zi, Quan-Xing; Lin, Jun; Yan, Sheng-Jiao","Diastereoselective Synthesis of Morphan Derivatives by Michael and Hetero-Michael Addition of 1,1-Enediamines to Quinone Monoketals.","ACS omega","2018","3","1","8","21","10.1021/acsomega.7b01493","","","0.71073","MoKα","","0.0789","0.0515","","","0.151","0.1812","","","","","","1.06","","","","has coordinates,has disorder","225988","2020-10-21","18:00:00",""
"4515909","10.92936","0.00008","12.8033","0.00009","13.37608","0.00011","90","","112.081","0.0009","90","","1734.45","0.03","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H15 Br N2 O2 -","- C21 H15 Br N2 O2 -","- C84 H60 Br4 N8 O8 -","4","1","","Leas, Derek A.; Wu, Jianbo; Ezell, Edward L.; Garrison, Jered C.; Vennerstrom, Jonathan L.; Dong, Yuxiang","Formation of 2-Imino Benzo[<i>e</i>]-1,3-oxazin-4-ones from Reactions of Salicylic Acids and Anilines with HATU: Mechanistic and Synthetic Studies.","ACS omega","2018","3","1","781","787","10.1021/acsomega.7b01824","","x-ray","1.54184","CuKα","","0.0324","0.0307","","","0.0806","0.0822","","","","","","1.045","","","","has coordinates","301843","2025-08-21","01:58:46",""
"4515910","9.0317","0.0005","10.0478","0.0005","15.5635","0.0008","90","","90","","90","","1412.37","0.13","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","2OK-1","2OK-1","","- C14 H20 O4 -","- C14 H20 O4 -","- C56 H80 O16 -","4","1","","Li, Yuelan; Zhu, Rongxiu; Zhang, Jiaozhen; Xie, Fei; Wang, Xiaoning; Xu, Ke; Qiao, Yanan; Zhao, Zuntian; Lou, Hongxiang","Ophiosphaerellins A-I, Polyketide-Derived Compounds from the Endolichenic Fungus <i>Ophiosphaerella korrae</i>.","ACS omega","2018","3","1","176","180","10.1021/acsomega.7b01668","","","1.54178","CuKα","","0.1508","0.1282","","","0.2979","0.3227","","","","","","1.11","","","","has coordinates","301843","2025-08-21","01:58:46",""
"4515911","13.4241","0.0006","13.4241","0.0006","7.2863","0.0004","90","","90","","90","","1313.04","0.11","296","2","296","2","","","","","","","","3","P 41","P 4w","76","OK-17","OK-17","","- C14 H20 O3 -","- C14 H20 O3 -","- C56 H80 O12 -","4","1","","Li, Yuelan; Zhu, Rongxiu; Zhang, Jiaozhen; Xie, Fei; Wang, Xiaoning; Xu, Ke; Qiao, Yanan; Zhao, Zuntian; Lou, Hongxiang","Ophiosphaerellins A-I, Polyketide-Derived Compounds from the Endolichenic Fungus <i>Ophiosphaerella korrae</i>.","ACS omega","2018","3","1","176","180","10.1021/acsomega.7b01668","","","1.54178","CuKα","","0.0765","0.0608","","","0.145","0.1607","","","","","","1.03","","","","has coordinates","301843","2025-08-21","01:58:46",""
"4515912","9.2774","0.0003","22.6668","0.0007","9.8223","0.0003","90","","104.891","0.002","90","","1996.15","0.11","298","","298","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C26 H22 O -","- C26 H22 O -","- C104 H88 O4 -","4","1","","Sahoo, Prakash Kumar; Gawali, Suhas Shahaji; Gunanathan, Chidambaram","Iron-Catalyzed Selective Etherification and Transetherification Reactions Using Alcohols.","ACS omega","2018","3","1","124","136","10.1021/acsomega.7b01705","","","0.71073","MoKα","","0.0606","0.0398","","","0.0953","0.1071","","","","","","1.016","","","","has coordinates","301843","2025-08-21","01:58:46",""
"4515913","22.2703","0.0006","15.8902","0.0005","15.2838","0.0005","90","","93.297","0.003","90","","5399.7","0.3","100","0.1","100","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C54 H88 N2 O9 -","- C54 H88 N2 O9 -","- C216 H352 N8 O36 -","4","0.5","","Rodríguez-Fortea, Antonio; Kaleta, Jiří; Mézière, Cécile; Allain, Magali; Canadell, Enric; Wzietek, Pawel; Michl, Josef; Batail, Patrick","Asymmetric Choreography in Pairs of Orthogonal Rotors.","ACS omega","2018","3","1","1293","1297","10.1021/acsomega.7b01580","","","1.54184","CuKα","","0.0784","0.0718","","","0.1911","0.1974","","","","","","1.061","","","","has coordinates","225993","2020-10-21","18:00:00",""
"4515914","22.3412","0.0005","15.9121","0.0003","15.4268","0.0004","90","","93.24","0.002","90","","5475.4","0.2","180","0.1","180","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C54 H88 N2 O9 -","- C54 H88 N2 O9 -","- C216 H352 N8 O36 -","4","0.5","","Rodríguez-Fortea, Antonio; Kaleta, Jiří; Mézière, Cécile; Allain, Magali; Canadell, Enric; Wzietek, Pawel; Michl, Josef; Batail, Patrick","Asymmetric Choreography in Pairs of Orthogonal Rotors.","ACS omega","2018","3","1","1293","1297","10.1021/acsomega.7b01580","","x-ray","1.54184","CuKα","","0.0777","0.0695","","","0.1954","0.205","","","","","","1.022","","","","has coordinates","225994","2020-10-21","18:00:00",""
"4515915","7.1234","0.0017","7.7506","0.0019","21.457","0.01","90","","90","","90","","1184.7","0.7","291","2","291","2","","","","","","","see text","3","P 21 21 21","P 2ac 2ab","19","","Methyl (1a<i>S</i>,4a<i>R</i>,5<i>R</i>,7a<i>R</i>)-5-methyl-2-oxo- octahydrocyclopropa[<i>d</i>]indene- 4a-carboxylate","","- C13 H18 O3 -","- C13 H18 O3 -","- C52 H72 O12 -","4","1","","Yadav, Jhillu Singh; Singh, Shweta; Das, Saibal","Stereoselective Total Syntheses of Acutifolone A, Bisacutifolone A and B, Pinguisenol, and Isonaviculol.","ACS omega","2018","3","1","636","647","10.1021/acsomega.7b01513","","","0.7107","MoKα","","0.081","0.0576","","","0.1268","0.1489","","","","","","1.098","","","","has coordinates","301843","2025-08-21","01:58:46",""
"4515916","6.45","0.0003","7.2271","0.0004","15.5635","0.0008","100.475","0.004","94.555","0.004","97.516","0.004","703.3","0.06","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H9 F5 O -","- C16 H9 F5 O -","- C32 H18 F10 O2 -","2","1","","Yamada, Shigeyuki; Mitsuda, Akira; Miyano, Kazuya; Tanaka, Tsuyoshi; Morita, Masato; Agou, Tomohiro; Kubota, Toshio; Konno, Tsutomu","Development of Novel Solid-State Light-Emitting Materials Based on Pentafluorinated Tolane Fluorophores.","ACS omega","2018","3","8","9105","9113","10.1021/acsomega.8b01490","","","0.71073","MoKα","","0.0593","0.0417","","","0.1026","0.1138","","","","","","1.022","","","","has coordinates","301843","2025-08-21","01:58:46",""
"4515917","6.1612","0.0003","7.4665","0.0004","20.2688","0.0008","89.766","0.004","87.758","0.003","83.16","0.004","925.07","0.08","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H17 F5 O -","- C20 H17 F5 O -","- C40 H34 F10 O2 -","2","1","","Yamada, Shigeyuki; Mitsuda, Akira; Miyano, Kazuya; Tanaka, Tsuyoshi; Morita, Masato; Agou, Tomohiro; Kubota, Toshio; Konno, Tsutomu","Development of Novel Solid-State Light-Emitting Materials Based on Pentafluorinated Tolane Fluorophores.","ACS omega","2018","3","8","9105","9113","10.1021/acsomega.8b01490","","","0.71073","MoKα","","0.0695","0.0531","","","0.1543","0.1709","","","","","","1.033","","","","has coordinates","301843","2025-08-21","01:58:46",""
"4515918","12.4697","0.0015","8.9131","0.0011","17.456","0.002","90","","103.685","0.004","90","","1885","0.4","103","2","103","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H21 Cl S -","- C23 H21 Cl S -","- C92 H84 Cl4 S4 -","4","1","","Vu, Minh Duy; Foo, Ce Qing; Sadeer, Abdul; Shand, Sam S.; Li, Yongxin; Pullarkat, Sumod A.","Triflic-Acid-Catalyzed Tandem Allylic Substitution-Cyclization Reaction of Alcohols with Thiophenols-Facile Access to Polysubstituted Thiochromans.","ACS omega","2018","3","8","8945","8951","10.1021/acsomega.8b01305","","","0.71073","MoKα","","0.1155","0.0535","","","0.107","0.1322","","","","","","1.01","","","","has coordinates","301843","2025-08-21","01:58:46",""
"4515919","9.3936","0.0017","4.6798","0.0008","17.703","0.003","90","","100.44","0.0019","90","","765.3","0.2","123","","123","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H6 F8 N4 Ni -","- C18 H6 F8 N4 Ni -","- C36 H12 F16 N8 Ni2 -","2","0.5","","Pilia, Luca; Shuku, Yoshiaki; Dalgleish, Simon; Awaga, Kunio; Robertson, Neil","Structural and Electronic Effects Due to Fluorine Atoms on Dibenzotetraaza-Annulenes Complexes.","ACS omega","2018","3","8","10074","10083","10.1021/acsomega.8b01442","","","0.71075","MoKα","","0.028","0.0252","","","0.0686","0.0696","","","","","","1.105","","","","has coordinates","301843","2025-08-21","01:58:46",""
"4515920","9.457","0.006","4.715","0.003","17.574","0.011","90","","100.787","0.009","90","","769.8","0.8","123","","123","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H6 Cu F8 N4 -","- C18 H6 Cu F8 N4 -","- C36 H12 Cu2 F16 N8 -","2","0.5","","Pilia, Luca; Shuku, Yoshiaki; Dalgleish, Simon; Awaga, Kunio; Robertson, Neil","Structural and Electronic Effects Due to Fluorine Atoms on Dibenzotetraaza-Annulenes Complexes.","ACS omega","2018","3","8","10074","10083","10.1021/acsomega.8b01442","","","0.71075","MoKα","","0.0627","0.0521","","","0.1376","0.1446","","","","","","1.237","","","","has coordinates","301843","2025-08-21","01:58:46",""
"4515921","13.3372","0.0011","13.4107","0.0011","15.8542","0.0013","66.936","0.001","65.477","0.001","73.256","0.001","2346.9","0.3","201","2","201","2","","","","","","","","5","P -1","-P 1","2","","","","- C37 H42 Hg4 N15 O13 -","- C37 H42 Hg4 N15 O13 -","- C74 H84 Hg8 N30 O26 -","2","1","","Lemes, Maykon A.; Stein, Hilarie N.; Gabidullin, Bulat; Steinmann, Stephan N.; Murugesu, Muralee","Tetrazine-Based Ligand Transformation Driving Metal-Metal Bond and Mixed-Valence Hg<sup>I</sup>/Hg<sup>II</sup>.","ACS omega","2018","3","8","10273","10277","10.1021/acsomega.8b01861","","","0.71073","MoKα","","0.0672","0.0388","","","0.089","0.1017","","","","","","0.979","","","","has coordinates","226000","2020-10-21","18:00:00",""
"4515922","16.4068","0.001","21.1877","0.0013","21.5464","0.0014","94.827","0.001","105.616","0.001","110.717","0.001","6612","0.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H97 Cl N24 O36 -","- C42 H48 Cl N24 O12 -","- C168 H192 Cl4 N96 O48 -","4","2","","Wang, Xin-Xin; Tian, Fei-Yang; Chen, Kai; Zhang, Yun-Qian; Tao, Zhu; Zhu, Qian-Jiang","Hexamethylcucurbit[3,3]uril-Based Porous Supramolecular Assemblies and Their Adsorption Properties.","ACS omega","2018","3","8","9827","9833","10.1021/acsomega.8b00979","","","0.71073","MoKα","","0.1242","0.083","","","0.2332","0.2557","","","","","","1.004","","","","has coordinates","226001","2020-10-21","18:00:00",""
"4515923","10.8505","0.0005","10.467","0.0004","18.8893","0.0009","90","","105.253","0.005","90","","2069.73","0.17","150.03","0.1","150.03","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C40 H34 Cu2 N6 O18 -","- C40 H34 Cu2 N6 O18 -","- C80 H68 Cu4 N12 O36 -","2","0.5","","Hossain, Anowar; Dey, Arka; Seth, Saikat Kumar; Ray, Partha Pratim; Ballester, Pablo; Pritchard, Robin G.; Ortega-Castro, Joaquín; Frontera, Antonio; Mukhopadhyay, Subrata","Enhanced Photosensitive Schottky Diode Behavior of Pyrazine over 2-Aminopyrimidine Ligand in Copper(II)-Phthalate MOFs: Experimental and Theoretical Rationalization.","ACS omega","2018","3","8","9160","9171","10.1021/acsomega.8b01111","","","0.71073","MoKα","","0.0787","0.0524","","","0.1027","0.1221","","","","","","1.055","","","","has coordinates,has disorder","301843","2025-08-21","01:58:46",""
"4515924","16.9098","0.001","11.4225","0.0007","10.4825","0.0007","90","","95.3601","0.0017","90","","2015.9","0.2","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H18 Cu N2 O10 -","- C20 H18 Cu N2 O10 -","- C80 H72 Cu4 N8 O40 -","4","0.5","","Hossain, Anowar; Dey, Arka; Seth, Saikat Kumar; Ray, Partha Pratim; Ballester, Pablo; Pritchard, Robin G.; Ortega-Castro, Joaquín; Frontera, Antonio; Mukhopadhyay, Subrata","Enhanced Photosensitive Schottky Diode Behavior of Pyrazine over 2-Aminopyrimidine Ligand in Copper(II)-Phthalate MOFs: Experimental and Theoretical Rationalization.","ACS omega","2018","3","8","9160","9171","10.1021/acsomega.8b01111","","","0.71073","MoKα","","0.0362","0.0315","","","0.0791","0.0811","","","","","","1.084","","","","has coordinates","226003","2020-10-21","18:00:00",""
"4515925","9.3247","0.0004","8.2469","0.0004","10.8377","0.0005","90","","92.037","0.004","90","","832.89","0.07","140.1","0.5","140","1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C7 H10 N4 -","- C7 H10 N4 -","- C28 H40 N16 -","4","1","","Tinson, Ryan A. J.; Hughes, David L.; Ward, Leanne; Stephenson, G. Richard","Unusual Nucleophilic Addition of Grignard Reagents in the Synthesis of 4-Amino-pyrimidines.","ACS omega","2018","3","8","8937","8944","10.1021/acsomega.8b01137","","","0.71073","Mo-Kα","","0.0672","0.0498","","","0.1379","0.1477","","","","","","1.062","","","","has coordinates","301843","2025-08-21","01:58:46",""
"4515926","6.6437","0.0003","9.4377","0.0004","19.9115","0.0008","90","","99.266","0.003","90","","1232.19","0.09","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H9 N O2 S -","- C16 H9 N O2 S -","- C64 H36 N4 O8 S4 -","4","1","","Lohar, Somenath; Dhara, Koushik; Roy, Priya; Sinha Babu, Santi P.; Chattopadhyay, Pabitra","Highly Sensitive Ratiometric Chemosensor and Biomarker for Cyanide Ions in the Aqueous Medium.","ACS omega","2018","3","8","10145","10153","10.1021/acsomega.8b01035","","","0.71073","MoKα","","0.0717","0.0393","","","0.1076","0.1539","","","","","","1.105","","","","has coordinates","301843","2025-08-21","01:58:46",""
"4515927","7.3648","0.0004","12.6013","0.0008","17.9669","0.001","71.88","0.004","86.822","0.004","86.863","0.004","1581.07","0.16","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H24 N2 O7 S2 -","- C34 H24 N2 O7 S2 -","- C68 H48 N4 O14 S4 -","2","1","","Lohar, Somenath; Dhara, Koushik; Roy, Priya; Sinha Babu, Santi P.; Chattopadhyay, Pabitra","Highly Sensitive Ratiometric Chemosensor and Biomarker for Cyanide Ions in the Aqueous Medium.","ACS omega","2018","3","8","10145","10153","10.1021/acsomega.8b01035","","","0.71073","MoKα","","0.1792","0.0663","","","0.1913","0.276","","","","","","0.753","","","","has coordinates","255805","2020-10-21","18:00:00",""
"4515928","10.8577","0.0002","14.2462","0.0003","13.918","0.0003","90","","111.138","0.001","90","","2007.99","0.07","173","","173","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C46 H46 N2 O11 -","- C46 H46 N2 O11 -","- C92 H92 N4 O22 -","2","0.5","","Fang, Jing; Zhang, Qi; Li, Meiqi; Wang, Jian-Rong; Mei, Xuefeng","Isostructural Solvates of Naturally Occurring Allocryptopine Exhibit Both Mechanochromic and Hydrochromic Luminescent Properties.","ACS omega","2018","3","8","9220","9226","10.1021/acsomega.8b01267","","","0.71073","MoKα","","0.0565","0.0451","","","0.1325","0.1413","","","","","","1.077","","","","has coordinates","226007","2020-10-21","18:00:00",""
"4515929","10.6658","0.0019","14.335","0.003","13.962","0.003","90","","110.1","0.005","90","","2004.7","0.7","296","2","296.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C45 H46 N3 O11 -","- C45 H46 N3 O11 -","- C90 H92 N6 O22 -","2","0.5","","Fang, Jing; Zhang, Qi; Li, Meiqi; Wang, Jian-Rong; Mei, Xuefeng","Isostructural Solvates of Naturally Occurring Allocryptopine Exhibit Both Mechanochromic and Hydrochromic Luminescent Properties.","ACS omega","2018","3","8","9220","9226","10.1021/acsomega.8b01267","","","0.71073","MoKα","","0.1195","0.0584","","","0.1414","0.1672","","","","","","0.935","","","","has coordinates","226008","2020-10-21","18:00:00",""
"4515930","10.5721","0.0011","14.2791","0.0015","13.9602","0.0016","90","","109.686","0.002","90","","1984.3","0.4","173","","173","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C45 H46 N2 O11 -","- C45 H46 N2 O11 -","- C90 H92 N4 O22 -","2","0.5","","Fang, Jing; Zhang, Qi; Li, Meiqi; Wang, Jian-Rong; Mei, Xuefeng","Isostructural Solvates of Naturally Occurring Allocryptopine Exhibit Both Mechanochromic and Hydrochromic Luminescent Properties.","ACS omega","2018","3","8","9220","9226","10.1021/acsomega.8b01267","","","0.71073","MoKα","","0.0644","0.0481","","","0.1362","0.1513","","","","","","1.022","","","","has coordinates","226009","2020-10-21","18:00:00",""
"4515931","18.9584","0.001","16.8577","0.0008","14.0096","0.0007","90","","111.553","0.003","90","","4164.3","0.4","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C52 H29 F9 N6 Pt -","- C52 H29 F9 N6 Pt -","- C208 H116 F36 N24 Pt4 -","4","0.5","","Alemayehu, Abraham B.; McCormick, Laura J.; Gagnon, Kevin J.; Borisov, Sergey M.; Ghosh, Abhik","Stable Platinum(IV) Corroles: Synthesis, Molecular Structure, and Room-Temperature Near-IR Phosphorescence.","ACS omega","2018","3","8","9360","9368","10.1021/acsomega.8b01149","","","0.8857","synchrotron","","0.0482","0.0345","","","0.0701","0.0746","","","","","","1.037","","","","has coordinates,has disorder","226010","2020-10-21","18:00:00",""
"4515932","9.4792","0.0015","12.0922","0.0019","16.675","0.003","109.102","0.003","95.415","0.003","90.85","0.003","1795.9","0.5","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C49 H32 N6 Pt -","- C49 H32 N6 Pt -","- C98 H64 N12 Pt2 -","2","1","","Alemayehu, Abraham B.; McCormick, Laura J.; Gagnon, Kevin J.; Borisov, Sergey M.; Ghosh, Abhik","Stable Platinum(IV) Corroles: Synthesis, Molecular Structure, and Room-Temperature Near-IR Phosphorescence.","ACS omega","2018","3","8","9360","9368","10.1021/acsomega.8b01149","","","0.7293","synchrotron","","0.0865","0.0583","","","0.1336","0.1471","","","","","","1.033","","","","has coordinates","226010","2020-10-21","18:00:00",""
"4515933","8.0473","0.0006","11.4044","0.0009","13.7456","0.0011","70.394","0.001","75.041","0.001","79.862","0.001","1142.53","0.15","294","2","294","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H30 N2 O4 -","- C24 H30 N2 O4 -","- C48 H60 N4 O8 -","2","1","","Reddy, Chatrala Ravikumar; Sridhar, Balasubramanian; V Subba Reddy, Basi","Ru(II)-Catalyzed Oxidative Functionalization of Arylhydrazine-1,2-dicarboxylates with Internal Alkynes for the Synthesis of Enecarbamates.","ACS omega","2018","3","8","9746","9753","10.1021/acsomega.8b01118","","","0.71073","MoKα","","0.0766","0.0656","","","0.1908","0.2023","","","","","","1.078","","","","has coordinates","301843","2025-08-21","01:58:46",""
"4515934","8.9744","0.0008","9.5414","0.0009","11.6948","0.001","95.027","0.002","97.388","0.001","96.992","0.001","980.27","0.15","294","2","294","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H24 N2 O5 -","- C21 H24 N2 O5 -","- C42 H48 N4 O10 -","2","1","","Reddy, Chatrala Ravikumar; Sridhar, Balasubramanian; V Subba Reddy, Basi","Ru(II)-Catalyzed Oxidative Functionalization of Arylhydrazine-1,2-dicarboxylates with Internal Alkynes for the Synthesis of Enecarbamates.","ACS omega","2018","3","8","9746","9753","10.1021/acsomega.8b01118","","","0.71073","MoKα","","0.0538","0.0448","","","0.1175","0.124","","","","","","1.055","","","","has coordinates","301843","2025-08-21","01:58:46",""
"4515935","7.942","0.005","19.31","0.02","22.77","0.02","90","","90","","90","","3492","5","110","","110","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C14 H18 I2 N2 O Pt -","- C14 H18 I2 N2 O Pt -","- C112 H144 I16 N16 O8 Pt8 -","8","1","","Fard, Mahmood A.; Behnia, Ava; Puddephatt, Richard J.","Supramolecular Polymer and Sheet and a Double Cubane Structure in Platinum(IV) Iodide Chemistry: Solution of a Longstanding Puzzle.","ACS omega","2018","3","8","10267","10272","10.1021/acsomega.8b01367","","","0.71073","MoKα","","0.0346","0.0329","","","0.1014","0.1024","","","","","","1.104","","","","has coordinates","226013","2020-10-21","18:00:00",""
"4515936","11.333","0.004","13.086","0.004","14.249","0.004","90","","94.272","0.007","90","","2107.3","1.1","110","","110","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17 H24 I2 N2 O2 Pt -","- C17 H24 I2 N2 O2 Pt -","- C68 H96 I8 N8 O8 Pt4 -","4","1","","Fard, Mahmood A.; Behnia, Ava; Puddephatt, Richard J.","Supramolecular Polymer and Sheet and a Double Cubane Structure in Platinum(IV) Iodide Chemistry: Solution of a Longstanding Puzzle.","ACS omega","2018","3","8","10267","10272","10.1021/acsomega.8b01367","","","0.71073","MoKα","","0.0285","0.0278","","","0.0805","0.0809","","","","","","1.192","","","","has coordinates","226013","2020-10-21","18:00:00",""
"4515937","8.361","0.003","8.63","0.004","10.095","0.004","92.018","0.017","113.755","0.014","106.974","0.019","627.9","0.5","163","","163","","","","","","","","","4","P -1","-P 1","2","","","","- C10 H30 I6 Pt4 -","- C10 H30 I6 Pt4 -","- C10 H30 I6 Pt4 -","1","0.5","","Fard, Mahmood A.; Behnia, Ava; Puddephatt, Richard J.","Supramolecular Polymer and Sheet and a Double Cubane Structure in Platinum(IV) Iodide Chemistry: Solution of a Longstanding Puzzle.","ACS omega","2018","3","8","10267","10272","10.1021/acsomega.8b01367","","","0.71073","MoKα","","0.0462","0.0333","","","0.0637","0.0668","","","","","","1.098","","","","has coordinates","226013","2020-10-21","18:00:00",""
"4515938","17.4884","0.0011","7.707","0.0004","16.2535","0.0009","90","","94.034","0.002","90","","2185.3","0.2","100","","100","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C11 H10 Cl2 O3 -","- C11 H10 Cl2 O3 -","- C88 H80 Cl16 O24 -","8","1","","Dethe, Dattatraya H.; Boda, Raghavender","Synthetic Studies toward the Natural Product Tripartin, the First Natural Histone Lysine Demethylase Inhibitor.","ACS omega","2018","3","8","9303","9309","10.1021/acsomega.8b01341","","x-ray","0.71073","MoKα","","0.0522","0.0338","","","0.08","0.0872","","","","","","1.025","","","","has coordinates","301843","2025-08-21","01:58:46",""
"4515939","15.002","0.005","8.676","0.003","16.83","0.005","90","","91.384","0.004","90","","2189.9","1.2","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H34 B12 N4 -","- C12 H34 B12 N4 -","- C48 H136 B48 N16 -","4","1","","Kelley, Steven P.; Rachiero, Giovanni P.; Titi, Hatem M.; Rogers, Robin D.","New Reactions for Old Ions: Cage Rearrangements, Hydrolysis, and Two-Electron Reduction of <i>nido</i>-Decaborane in Neat 1-Ethyl-3-Methylimidazolium Acetate.","ACS omega","2018","3","8","8491","8496","10.1021/acsomega.8b00775","","","0.71073","MoKα","","0.2098","0.0935","","","0.2134","0.2565","","","","","","1.226","","","","has coordinates","226015","2020-10-21","18:00:00",""
"4515940","14.0962","0.0016","10.5765","0.0016","14.3649","0.0013","90","","91.92","0.003","90","","2140.4","0.4","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C12 H32 B10 N4 -","- C12 H32 B10 N4 -","- C48 H128 B40 N16 -","4","0.5","","Kelley, Steven P.; Rachiero, Giovanni P.; Titi, Hatem M.; Rogers, Robin D.","New Reactions for Old Ions: Cage Rearrangements, Hydrolysis, and Two-Electron Reduction of <i>nido</i>-Decaborane in Neat 1-Ethyl-3-Methylimidazolium Acetate.","ACS omega","2018","3","8","8491","8496","10.1021/acsomega.8b00775","","","0.71073","MoKα","","0.1589","0.1059","","","0.2825","0.3247","","","","","","1.041","","","","has coordinates,has disorder","226015","2020-10-21","18:00:00",""
"4515941","9.553","0.0007","28.914","0.002","9.7711","0.0007","90","","116.859","0.004","90","","2407.8","0.3","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H38 B10 N4 O2 -","- C14 H38 B10 N4 O2 -","- C56 H152 B40 N16 O8 -","4","1","","Kelley, Steven P.; Rachiero, Giovanni P.; Titi, Hatem M.; Rogers, Robin D.","New Reactions for Old Ions: Cage Rearrangements, Hydrolysis, and Two-Electron Reduction of <i>nido</i>-Decaborane in Neat 1-Ethyl-3-Methylimidazolium Acetate.","ACS omega","2018","3","8","8491","8496","10.1021/acsomega.8b00775","","","0.71073","MoKα","","0.1342","0.0692","","","0.1311","0.1591","","","","","","1.014","","","","has coordinates","226015","2020-10-21","18:00:00",""
"4515942","14.8016","0.0004","12.2438","0.0004","18.4551","0.0005","90","","99.793","0.003","90","","3295.84","0.17","293","2","293.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C27 H21 B3 Cl6 F6 N4 O3 -","- C27 H21 B3 Cl6 F6 N4 O3 -","- C108 H84 B12 Cl24 F24 N16 O12 -","4","1","","Zhang, Xiaohong; Shi, Jun; Song, Jintong; Wang, Man; Xu, Xuemei; Qu, Lang; Zhou, Xiangge; Xiang, Haifeng","Nonconjugated Fluorescent Molecular Cages of Trinuclear Fluoroborate Complexes with Salicylaldehyde-Based Schiff Base Ligands.","ACS omega","2018","3","8","8992","9002","10.1021/acsomega.8b01504","","x-ray","0.71073","MoKα","","0.0812","0.0569","","","0.1286","0.1421","","","","","","1.069","","","","has coordinates","301843","2025-08-21","01:58:46",""
"4515943","11.6042","0.0002","17.3471","0.0003","13.6414","0.0002","90","","90.3913","0.0015","90","","2745.94","0.08","292.7","0.6","292.7","0.6","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H27 B3 F6 N4 O3 -","- C27 H27 B3 F6 N4 O3 -","- C108 H108 B12 F24 N16 O12 -","4","1","","Zhang, Xiaohong; Shi, Jun; Song, Jintong; Wang, Man; Xu, Xuemei; Qu, Lang; Zhou, Xiangge; Xiang, Haifeng","Nonconjugated Fluorescent Molecular Cages of Trinuclear Fluoroborate Complexes with Salicylaldehyde-Based Schiff Base Ligands.","ACS omega","2018","3","8","8992","9002","10.1021/acsomega.8b01504","","x-ray","1.54184","CuKα","","0.0694","0.0624","","","0.1742","0.1835","","","","","","1.025","","","","has coordinates","301843","2025-08-21","01:58:46",""
"4515944","8.25787","0.00017","8.7682","0.0003","15.6385","0.0004","96.208","0.002","97.1322","0.0019","108.099","0.002","1054.98","0.05","293","","293","","","","","","","","","4","P -1","-P 1","2","","","","- C29 H21 N O2 -","- C29 H21 N O2 -","- C58 H42 N2 O4 -","2","1","","Baig, Moghal Zubair Khalid; Prusti, Banchhanidhi; Roy, Durba; Sahu, Prabhat Kumar; Sarkar, Moloy; Sharma, Aayushi; Chakravarty, Manab","Weak Donor-/Strong Acceptor-Linked Anthracenyl π-Conjugates as Solvato(fluoro)chromophore and AEEgens: Contrast between Nitro and Cyano Functionality.","ACS omega","2018","3","8","9114","9125","10.1021/acsomega.8b01258","","","1.54184","CuKα","","0.0712","0.0595","","","0.1713","0.1822","","","","","","1.08","","","","has coordinates,has disorder","301843","2025-08-21","01:58:46",""
"4515945","8.0332","0.0019","8.569","0.002","18.521","0.003","86.059","0.018","79.08","0.018","63.59","0.03","1121","0.5","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C31 H25 N O2 -","- C31 H25 N O2 -","- C62 H50 N2 O4 -","2","1","","Baig, Moghal Zubair Khalid; Prusti, Banchhanidhi; Roy, Durba; Sahu, Prabhat Kumar; Sarkar, Moloy; Sharma, Aayushi; Chakravarty, Manab","Weak Donor-/Strong Acceptor-Linked Anthracenyl π-Conjugates as Solvato(fluoro)chromophore and AEEgens: Contrast between Nitro and Cyano Functionality.","ACS omega","2018","3","8","9114","9125","10.1021/acsomega.8b01258","","x-ray","0.71073","MoKα","","0.1321","0.096","","","0.2589","0.2802","","","","","","1.129","","","","has coordinates","301843","2025-08-21","01:58:46",""
"4515946","8.5961","0.0001","11.2877","0.0002","12.684","0.0002","110.581","0.001","95.048","0.001","95.743","0.001","1136.33","0.03","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C32 H25 N -","- C32 H25 N -","- C64 H50 N2 -","2","1","","Baig, Moghal Zubair Khalid; Prusti, Banchhanidhi; Roy, Durba; Sahu, Prabhat Kumar; Sarkar, Moloy; Sharma, Aayushi; Chakravarty, Manab","Weak Donor-/Strong Acceptor-Linked Anthracenyl π-Conjugates as Solvato(fluoro)chromophore and AEEgens: Contrast between Nitro and Cyano Functionality.","ACS omega","2018","3","8","9114","9125","10.1021/acsomega.8b01258","","x-ray","1.54184","CuKα","","0.0476","0.0454","","","0.1367","0.14","","","","","","1.063","","","","has coordinates","301843","2025-08-21","01:58:46",""
"4515947","19.4514","0.0014","8.0224","0.0006","14.5787","0.001","90","","99.218","0.006","90","","2245.6","0.3","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C31 H25 N O2 -","- C31 H25 N O2 -","- C124 H100 N4 O8 -","4","1","","Baig, Moghal Zubair Khalid; Prusti, Banchhanidhi; Roy, Durba; Sahu, Prabhat Kumar; Sarkar, Moloy; Sharma, Aayushi; Chakravarty, Manab","Weak Donor-/Strong Acceptor-Linked Anthracenyl π-Conjugates as Solvato(fluoro)chromophore and AEEgens: Contrast between Nitro and Cyano Functionality.","ACS omega","2018","3","8","9114","9125","10.1021/acsomega.8b01258","","","0.71073","MoKα","","0.0566","0.0463","","","0.1214","0.1274","","","","","","1.025","","","","has coordinates","301843","2025-08-21","01:58:46",""
"4515948","8.9806","0.0004","11.4991","0.0005","11.998","0.0006","114.199","0.005","96.923","0.004","102.313","0.004","1073.66","0.1","293","2","293","2","","","","","","","","2","P -1","-P 1","2","","","","- C31 H26 -","- C31 H26 -","- C62 H52 -","2","1","","Baig, Moghal Zubair Khalid; Prusti, Banchhanidhi; Roy, Durba; Sahu, Prabhat Kumar; Sarkar, Moloy; Sharma, Aayushi; Chakravarty, Manab","Weak Donor-/Strong Acceptor-Linked Anthracenyl π-Conjugates as Solvato(fluoro)chromophore and AEEgens: Contrast between Nitro and Cyano Functionality.","ACS omega","2018","3","8","9114","9125","10.1021/acsomega.8b01258","","","0.71073","MoKα","","0.0563","0.0472","","","0.1297","0.1354","","","","","","1.073","","","","has coordinates","301843","2025-08-21","01:58:46",""
"4515949","25.666","0.004","46.332","0.007","8.4689","0.0013","90","","90","","90","","10071","3","100","2","100","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C27 H34 Cl N O3 -","- C27 H34 Cl N O3 -","- C432 H544 Cl16 N16 O48 -","16","1","","Aghazadeh Meshgi, Mohammad; Zaitsev, Kirill V.; Vener, Mikhail V.; Churakov, Andrei V.; Baumgartner, Judith; Marschner, Christoph","Hypercoordinated Oligosilanes Based on Aminotrisphenols.","ACS omega","2018","3","8","10317","10330","10.1021/acsomega.8b01402","","","0.71073","MoKα","","0.0702","0.0549","","","0.1042","0.1101","","","","","","1.041","","","","has coordinates","301843","2025-08-21","01:58:46",""
"4515950","9.2802","0.0014","14.072","0.002","11.6193","0.0018","90","","90.084","0.002","90","","1517.4","0.4","183","2","183","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H12 Cl N O3 Si -","- C18 H12 Cl N O3 Si -","- C72 H48 Cl4 N4 O12 Si4 -","4","1","","Aghazadeh Meshgi, Mohammad; Zaitsev, Kirill V.; Vener, Mikhail V.; Churakov, Andrei V.; Baumgartner, Judith; Marschner, Christoph","Hypercoordinated Oligosilanes Based on Aminotrisphenols.","ACS omega","2018","3","8","10317","10330","10.1021/acsomega.8b01402","","","0.71073","MoKα","","0.0404","0.0385","","","0.1008","0.1023","","","","","","1.044","","","","has coordinates","301843","2025-08-21","01:58:46",""
"4515951","14.414","0.002","14.414","0.002","24.558","0.004","90","","90","","120","","4418.7","1.1","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C54 H60 N2 O7 Si2 -","- C54 H60 N2 O7 Si2 -","- C162 H180 N6 O21 Si6 -","3","0.166667","","Aghazadeh Meshgi, Mohammad; Zaitsev, Kirill V.; Vener, Mikhail V.; Churakov, Andrei V.; Baumgartner, Judith; Marschner, Christoph","Hypercoordinated Oligosilanes Based on Aminotrisphenols.","ACS omega","2018","3","8","10317","10330","10.1021/acsomega.8b01402","","","0.71073","MoKα","","0.0452","0.0424","","","0.1153","0.1175","","","","","","1.056","","","","has coordinates","301843","2025-08-21","01:58:46",""
"4515952","60.459","0.013","12.913","0.003","16.786","0.004","90","","100.08","0.006","90","","12903","5","200","2","200","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C27 H39 N O3 Si5 -","- C27 H39 N O3 Si5 -","- C432 H624 N16 O48 Si80 -","16","2","","Aghazadeh Meshgi, Mohammad; Zaitsev, Kirill V.; Vener, Mikhail V.; Churakov, Andrei V.; Baumgartner, Judith; Marschner, Christoph","Hypercoordinated Oligosilanes Based on Aminotrisphenols.","ACS omega","2018","3","8","10317","10330","10.1021/acsomega.8b01402","","","0.71073","MoKα","","0.0672","0.0513","","","0.1254","0.1339","","","","","","1.026","","","","has coordinates","301843","2025-08-21","01:58:46",""
"4515953","19.675","0.004","13.965","0.003","18.335","0.003","90","","92.701","0.003","90","","5032.2","1.7","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C37 H69 N O3 Si10 -","- C37 H69 N O3 Si10 -","- C148 H276 N4 O12 Si40 -","4","1","","Aghazadeh Meshgi, Mohammad; Zaitsev, Kirill V.; Vener, Mikhail V.; Churakov, Andrei V.; Baumgartner, Judith; Marschner, Christoph","Hypercoordinated Oligosilanes Based on Aminotrisphenols.","ACS omega","2018","3","8","10317","10330","10.1021/acsomega.8b01402","","","0.71073","MoKα","","0.055","0.0487","","","0.1192","0.123","","","","","","1.124","","","","has coordinates","301843","2025-08-21","01:58:46",""
"4515954","13.822","0.004","17.584","0.005","20.129","0.005","87.588","0.004","75.904","0.004","70.969","0.004","4482","2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H65 N O4 Si5 -","- C40 H65 N O4 Si5 -","- C160 H260 N4 O16 Si20 -","4","2","","Aghazadeh Meshgi, Mohammad; Zaitsev, Kirill V.; Vener, Mikhail V.; Churakov, Andrei V.; Baumgartner, Judith; Marschner, Christoph","Hypercoordinated Oligosilanes Based on Aminotrisphenols.","ACS omega","2018","3","8","10317","10330","10.1021/acsomega.8b01402","","","0.71073","MoKα","","0.0872","0.0741","","","0.1714","0.177","","","","","","1.133","","","","has coordinates,has disorder","226019","2020-10-21","18:00:00",""
"4515955","14.3849","0.0018","14.3849","0.0018","22.169","0.004","90","","90","","120","","3972.7","1","100","2","100","2","","","","","","","","5","P -3 c 1","-P 3 2""c","165","","","","- C36 H57 N O3 Si5 -","- C36 H57 N O3 Si5 -","- C144 H228 N4 O12 Si20 -","4","0.333333","","Aghazadeh Meshgi, Mohammad; Zaitsev, Kirill V.; Vener, Mikhail V.; Churakov, Andrei V.; Baumgartner, Judith; Marschner, Christoph","Hypercoordinated Oligosilanes Based on Aminotrisphenols.","ACS omega","2018","3","8","10317","10330","10.1021/acsomega.8b01402","","","0.71073","MoKα","","0.0611","0.0599","","","0.1355","0.1361","","","","","","1.261","","","","has coordinates","301843","2025-08-21","01:58:46",""
"4515956","13.19","0.05","16.96","0.06","20.32","0.07","90","","90","","90","","4546","3","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","NRM018","NRM018","","- C26 H17 N3 O5 -","- C26 H17 N3 O5 -","- C208 H136 N24 O40 -","8","1","","Mupparapu, Nagaraju; Khan, Shahnawaz; Bandhoria, Pankaj; Athimoolam, Shunmuganarayanan; Ahmed, Qazi Naveed","One-Pot Tandem Approach to Functionalized 3-Hydroxy-2-furanyl-acrylamides.","ACS omega","2018","3","5","5445","5452","10.1021/acsomega.8b00715","","","0.71073","MoKα","","0.0803","0.0546","","","0.1261","0.141","","","","","","1.086","","","","has coordinates,has disorder","301843","2025-08-21","01:58:46",""
"4515957","13.399","0.019","10.904","0.014","16.85","0.02","90","","112.68","0.02","90","","2271","5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","NRM010","NRM010","","- C26 H16 Br2 N2 O3 -","- C26 H16 Br2 N2 O3 -","- C104 H64 Br8 N8 O12 -","4","1","","Mupparapu, Nagaraju; Khan, Shahnawaz; Bandhoria, Pankaj; Athimoolam, Shunmuganarayanan; Ahmed, Qazi Naveed","One-Pot Tandem Approach to Functionalized 3-Hydroxy-2-furanyl-acrylamides.","ACS omega","2018","3","5","5445","5452","10.1021/acsomega.8b00715","","","0.71073","MoKα","","0.0597","0.0348","","","0.0755","0.0839","","","","","","1.021","","","","has coordinates","301843","2025-08-21","01:58:46",""
"4515958","7.661","0.0005","7.8138","0.0004","23.4172","0.0019","90","","90","","90","","1401.79","0.16","173","0.14","173","0.14","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H16 N4 O2 S -","- C12 H16 N4 O2 S -","- C48 H64 N16 O8 S4 -","4","1","","Yan, Xiao-Sheng; Luo, Huan; Zou, Kun-Shan; Cao, Jin-Lian; Li, Zhao; Jiang, Yun-Bao","Short Azapeptides of Folded Structures in Aqueous Solutions.","ACS omega","2018","3","5","4786","4790","10.1021/acsomega.8b00041","","","1.54178","CuKα","","0.081","0.0769","","","0.2093","0.2168","","","","","","1.113","","","","has coordinates","301843","2025-08-21","01:58:46",""
"4515959","10.0167","0.0003","7.5935","0.0002","12.506","0.0003","90","","107.618","0.003","90","","906.61","0.04","100.01","0.1","100.01","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C15 H24 N4 O3 S -","- C15 H24 N4 O3 S -","- C30 H48 N8 O6 S2 -","2","1","","Yan, Xiao-Sheng; Luo, Huan; Zou, Kun-Shan; Cao, Jin-Lian; Li, Zhao; Jiang, Yun-Bao","Short Azapeptides of Folded Structures in Aqueous Solutions.","ACS omega","2018","3","5","4786","4790","10.1021/acsomega.8b00041","","","1.54178","CuKα","","0.0695","0.0601","","","0.1955","0.1999","","","","","","1.251","","","","has coordinates","301843","2025-08-21","01:58:46",""
"4515960","19.453","0.002","7.6077","0.0005","13.2277","0.0007","90","","90","","90","","1957.6","0.3","100.01","0.1","100.01","0.1","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C19 H24 N4 O3 S -","- C19 H24 N4 O3 S -","- C76 H96 N16 O12 S4 -","4","1","","Yan, Xiao-Sheng; Luo, Huan; Zou, Kun-Shan; Cao, Jin-Lian; Li, Zhao; Jiang, Yun-Bao","Short Azapeptides of Folded Structures in Aqueous Solutions.","ACS omega","2018","3","5","4786","4790","10.1021/acsomega.8b00041","","","0.71073","MoKα","","0.0512","0.0433","","","0.098","0.1034","","","","","","1.04","","","","has coordinates,has disorder","226024","2020-10-21","18:00:00",""
"4515961","11.561","0.002","20.663","0.004","28.603","0.005","99.883","0.006","90.591","0.006","94.939","0.006","6704","2","153","","153.03","","","","","","","","","3","P -1","-P 1","2","","","","- C46 H38 O2 -","- C46 H38 O2 -","- C368 H304 O16 -","8","4","","Liu, Rui; Ran, Huijuan; Zhao, Zhen; Yang, Xueli; Zhang, Jiali; Chen, Lijuan; Sun, Huaming; Hu, Jian-Yong","Synthesis and Optical Properties of Donor-Acceptor-Type 1,3,5,9-Tetraarylpyrenes: Controlling Intramolecular Charge-Transfer Pathways by the Change of π-Conjugation Directions for Emission Color Modulations.","ACS omega","2018","3","5","5866","5875","10.1021/acsomega.8b00583","","","1.54178","CuKα","","0.067","0.0638","","","0.1875","0.1912","","","","","","1.046","","","","has coordinates,has disorder","301843","2025-08-21","01:58:46",""
"4515962","51.797","0.003","51.797","0.003","6.5592","0.0004","90","","90","","120","","15240.2","1.6","153","2","153","","","","","","","","","3","R -3 :H","-R 3","148","","","","- C46 H34 O2 -","- C46 H34 O2 -","- C828 H612 O36 -","18","1","","Liu, Rui; Ran, Huijuan; Zhao, Zhen; Yang, Xueli; Zhang, Jiali; Chen, Lijuan; Sun, Huaming; Hu, Jian-Yong","Synthesis and Optical Properties of Donor-Acceptor-Type 1,3,5,9-Tetraarylpyrenes: Controlling Intramolecular Charge-Transfer Pathways by the Change of π-Conjugation Directions for Emission Color Modulations.","ACS omega","2018","3","5","5866","5875","10.1021/acsomega.8b00583","","","1.54178","CuKα","","0.0644","0.0522","","","0.1448","0.1545","","","","","","1.076","","","","has coordinates","301843","2025-08-21","01:58:46",""
"4515963","13.8545","0.0016","8.0296","0.0009","23.616","0.003","90","","99.037","0.002","90","","2594.6","0.5","120","2","120","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C44 H65 B Cl7 Co N9 O3 -","- C44 H65 B Cl7 Co N9 O3 -","- C88 H130 B2 Cl14 Co2 N18 O6 -","2","1","","Pavlov, Alexander A.; Savkina, Svetlana A.; Belov, Alexander S.; Voloshin, Yan Z.; Nelyubina, Yulia V.; Novikov, Valentin V.","Very Large Magnetic Anisotropy of Cage Cobalt(II) Complexes with a Rigid Cholesteryl Substituent from Paramagnetic NMR Spectroscopy.","ACS omega","2018","3","5","4941","4946","10.1021/acsomega.8b00772","","","0.71073","MoKα","","0.0951","0.0568","","","0.106","0.121","","","","","","1.011","","","","has coordinates","301843","2025-08-21","01:58:46",""
"4515964","10.867","0.0014","10.9382","0.0014","22.644","0.003","90.95","0.003","103.366","0.003","116.98","0.003","2310.7","0.5","120","2","120","2","","","","","","","","7","P 1","P 1","1","","","","- C48 H66 B Cl Co N6 O7 -","- C48 H66 B Cl Co N6 O7 -","- C96 H132 B2 Cl2 Co2 N12 O14 -","2","2","","Pavlov, Alexander A.; Savkina, Svetlana A.; Belov, Alexander S.; Voloshin, Yan Z.; Nelyubina, Yulia V.; Novikov, Valentin V.","Very Large Magnetic Anisotropy of Cage Cobalt(II) Complexes with a Rigid Cholesteryl Substituent from Paramagnetic NMR Spectroscopy.","ACS omega","2018","3","5","4941","4946","10.1021/acsomega.8b00772","","","0.71073","MoKα","","0.113","0.0616","","","0.1161","0.1356","","","","","","1.002","","","","has coordinates","301843","2025-08-21","01:58:46",""
"4515965","9.384","0.005","11.242","0.005","9.451","0.005","90","","118.112","0.006","90","","879.4","0.8","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","RS163B","","","- C20 H24 N O P -","- C20 H24 N O P -","- C40 H48 N2 O2 P2 -","2","1","","Soengas, Raquel; Belmonte Sánchez, Eva; Iglesias, María José; López Ortiz, Fernando","Synthesis of P-Stereogenic Benzoazaphosphole 1-Oxides via Alkynylation of P-Stereogenic ortho-Aurated and ortho-Iodo Phosphinic Amides.","ACS omega","2018","3","5","5116","5124","10.1021/acsomega.8b00491","","","0.71073","MoKα","","0.1153","0.0742","","","0.1501","0.1855","","","","","","1.085","","","","has coordinates","301843","2025-08-21","01:58:46",""
"4515966","9.4402","0.0005","15.011","0.0008","15.5913","0.0008","90","","90","","90","","2209.4","0.2","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","R1","","","- C20 H28 Cl N O P Sn -","- C20 H28 Cl N O P Sn -","- C80 H112 Cl4 N4 O4 P4 Sn4 -","4","1","","Soengas, Raquel; Belmonte Sánchez, Eva; Iglesias, María José; López Ortiz, Fernando","Synthesis of P-Stereogenic Benzoazaphosphole 1-Oxides via Alkynylation of P-Stereogenic ortho-Aurated and ortho-Iodo Phosphinic Amides.","ACS omega","2018","3","5","5116","5124","10.1021/acsomega.8b00491","","","1.54178","CuKα","","0.0473","0.0435","","","0.1106","0.1161","","","","","","1.066","","","","has coordinates","226030","2020-10-21","18:00:00",""
"4515967","7.8531","0.0005","7.4811","0.0004","34.767","0.002","90","","91.88","0.003","90","","2041.5","0.2","143","2","143","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","DMAP","","","- C25 H26 N2 O2 -","- C25 H26 N2 O2 -","- C100 H104 N8 O8 -","4","1","","Kim, Sonam; Lee, Hyuck Jin; Nam, Eunju; Jeong, Donghyun; Cho, Jaeheung; Lim, Mi Hee; You, Youngmin","Tailoring Hydrophobic Interactions between Probes and Amyloid-β Peptides for Fluorescent Monitoring of Amyloid-β Aggregation.","ACS omega","2018","3","5","5141","5154","10.1021/acsomega.8b00286","","","0.71073","MoKa","","0.1092","0.0752","","","0.1237","0.1347","","","","","","1.174","","","","has coordinates","301843","2025-08-21","01:58:46",""
"4515968","9.8032","0.0002","10.2942","0.0003","32.2199","0.0008","84.987","0.001","82.061","0.001","79.035","0.001","3155.3","0.14","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H18 F2 N2 -","- C27 H18 F2 N2 -","- C162 H108 F12 N12 -","6","3","","Adak, Anirban; Panda, Tamas; Raveendran, Anju; Bejoymohandas, Kochan Sathyaseelan; Asha, K. S.; Prakasham, A. P.; Mukhopadhyay, Balaram; Panda, Manas K.","Distinct Mechanoresponsive Luminescence, Thermochromism, Vapochromism, and Chlorine Gas Sensing by a Solid-State Organic Emitter.","ACS omega","2018","3","5","5291","5300","10.1021/acsomega.8b00250","","","0.71073","MoKα","","0.1529","0.0539","","","0.1244","0.1686","","","","","","1.006","","","","has coordinates","301843","2025-08-21","01:58:46",""
"4515969","8.1549","0.0007","14.3911","0.0012","16.5026","0.0012","90","","90","","90","","1936.7","0.3","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H28 N2 O3 -","- C22 H28 N2 O3 -","- C88 H112 N8 O12 -","4","1","","Kalshetti, Manojkumar G.; Argade, Narshinha P.","Diastereoselective Synthesis of (±)-<i>epi</i>-Subincanadine C.","ACS omega","2018","3","5","5308","5316","10.1021/acsomega.8b00587","","","0.71073","MoKα","","0.0814","0.0451","","","0.0867","0.1005","","","","","","1.057","","","","has coordinates","301843","2025-08-21","01:58:46",""
"4515970","6.8071","0.0017","23.863","0.006","11.839","0.003","90","","106.646","0.006","90","","1842.5","0.8","296","2","296.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H26 N2 O -","- C22 H26 N2 O -","- C88 H104 N8 O4 -","4","1","","Kalshetti, Manojkumar G.; Argade, Narshinha P.","Diastereoselective Synthesis of (±)-<i>epi</i>-Subincanadine C.","ACS omega","2018","3","5","5308","5316","10.1021/acsomega.8b00587","","","0.71073","MoKα","","0.0611","0.0424","","","0.0951","0.1054","","","","","","1.0451","","","","has coordinates","301843","2025-08-21","01:58:46",""
"4515971","13.9951","0.0007","14.273","0.0008","17.845","0.001","111.769","0.002","91.652","0.002","90.047","0.002","3308.7","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C64 H28.36 Cl8 Cu I7.64 N7 -","- C64 H28.3603 Cl8 Cu I7.6397 N7 -","- C128 H56.7206 Cl16 Cu2 I15.2794 N14 -","2","1","","Thomassen, Ivar K.; McCormick, Laura J.; Ghosh, Abhik","Synthesis and Molecular Structure of a Copper Octaiodocorrole.","ACS omega","2018","3","5","5106","5110","10.1021/acsomega.8b00616","","","0.7288","synchrotron","","0.0596","0.0399","","","0.0693","0.0741","","","","","","1.158","","","","has coordinates,has disorder","226035","2020-10-21","18:00:00",""
"4515972","9.3213","0.0009","10.4713","0.0009","13.69","0.0012","74.53","0.003","72.545","0.003","75.112","0.003","1205.56","0.19","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H29 N O2 -","- C30 H29 N O2 -","- C60 H58 N2 O4 -","2","1","","Yang, Ren-Yin; Sun, Jing; Yan, Chao-Guo","HOAc-Mediated Domino Diels-Alder Reaction for Synthesis of Spiro[cyclohexane-1,3'-indolines] in Ionic Liquid [Bmim]Br.","ACS omega","2018","3","5","5406","5416","10.1021/acsomega.8b00464","","","0.71073","MoKα","","0.0962","0.0552","","","0.1264","0.1437","","","","","","1.019","","","","has coordinates","301843","2025-08-21","01:58:46",""
"4515973","10.7035","0.0008","11.4095","0.0009","14.0481","0.001","73.172","0.002","79.467","0.002","69.183","0.002","1528.8","0.2","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C40 H33 N O2 -","- C40 H33 N O2 -","- C80 H66 N2 O4 -","2","1","","Yang, Ren-Yin; Sun, Jing; Yan, Chao-Guo","HOAc-Mediated Domino Diels-Alder Reaction for Synthesis of Spiro[cyclohexane-1,3'-indolines] in Ionic Liquid [Bmim]Br.","ACS omega","2018","3","5","5406","5416","10.1021/acsomega.8b00464","","","0.71073","MoKα","","0.0921","0.0543","","","0.1196","0.1353","","","","","","1.026","","","","has coordinates","301843","2025-08-21","01:58:46",""
"4515974","10.5416","0.0008","12.2467","0.0009","14.2079","0.0011","68.214","0.002","81.502","0.003","69.115","0.002","1591.1","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H32 Cl N O2 -","- C40 H32 Cl N O2 -","- C80 H64 Cl2 N2 O4 -","2","1","","Yang, Ren-Yin; Sun, Jing; Yan, Chao-Guo","HOAc-Mediated Domino Diels-Alder Reaction for Synthesis of Spiro[cyclohexane-1,3'-indolines] in Ionic Liquid [Bmim]Br.","ACS omega","2018","3","5","5406","5416","10.1021/acsomega.8b00464","","","0.71073","MoKα","","0.2065","0.0792","","","0.1654","0.2081","","","","","","1.008","","","","has coordinates","301843","2025-08-21","01:58:46",""
"4515975","11.358","0.0005","17.3299","0.0008","14.9918","0.0007","90","","104.821","0.0014","90","","2852.7","0.2","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34 H36 F N O3 -","- C34 H36 F N O3 -","- C136 H144 F4 N4 O12 -","4","1","","Yang, Ren-Yin; Sun, Jing; Yan, Chao-Guo","HOAc-Mediated Domino Diels-Alder Reaction for Synthesis of Spiro[cyclohexane-1,3'-indolines] in Ionic Liquid [Bmim]Br.","ACS omega","2018","3","5","5406","5416","10.1021/acsomega.8b00464","","","0.71073","MoKα","","0.0912","0.0511","","","0.1167","0.1337","","","","","","1.025","","","","has coordinates,has disorder","226036","2020-10-21","18:00:00",""
"4515976","10.1699","0.0012","11.6903","0.0014","12.6092","0.0014","96.819","0.004","108.525","0.003","113.464","0.003","1251","0.3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H23 N O4 -","- C32 H23 N O4 -","- C64 H46 N2 O8 -","2","1","","Yang, Ren-Yin; Sun, Jing; Yan, Chao-Guo","HOAc-Mediated Domino Diels-Alder Reaction for Synthesis of Spiro[cyclohexane-1,3'-indolines] in Ionic Liquid [Bmim]Br.","ACS omega","2018","3","5","5406","5416","10.1021/acsomega.8b00464","","","0.71073","MoKα","","0.1023","0.0518","","","0.1099","0.1287","","","","","","1.024","","","","has coordinates","301843","2025-08-21","01:58:46",""
"4515977","10.7169","0.0009","14.4134","0.0012","13.8384","0.0011","90","","100.691","0.0015","90","","2100.5","0.3","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C16 H34 Br N Ni P2 -","- C16 H34 Br N Ni P2 -","- C64 H136 Br4 N4 Ni4 P8 -","4","2","","Wellala, Nadeesha P. N.; Luebking, John D.; Krause, Jeanette A.; Guan, Hairong","Roles of Hydrogen Bonding in Proton Transfer to κ<sup>P</sup>,κ<sup>N</sup>,κ<sup>P</sup>-N(CH<sub>2</sub>CH<sub>2</sub>P <i> <sup>i</sup> </i> Pr<sub>2</sub>)<sub>2</sub>-Ligated Nickel Pincer Complexes.","ACS omega","2018","3","5","4986","5001","10.1021/acsomega.8b00777","","","1.0333","synchrotron","","0.0338","0.0285","","","0.0589","0.0607","","","","","","1.023","","","","has coordinates","226037","2020-10-21","18:00:00",""
"4515978","8.6545","0.0008","10.983","0.0009","23.2849","0.0019","90","","90.049","0.003","90","","2213.3","0.3","150","2","150","2","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C16 H37 Br2 N Ni P2 -","- C16 H37 Br2 N Ni P2 -","- C64 H148 Br8 N4 Ni4 P8 -","4","2","","Wellala, Nadeesha P. N.; Luebking, John D.; Krause, Jeanette A.; Guan, Hairong","Roles of Hydrogen Bonding in Proton Transfer to κ<sup>P</sup>,κ<sup>N</sup>,κ<sup>P</sup>-N(CH<sub>2</sub>CH<sub>2</sub>P <i> <sup>i</sup> </i> Pr<sub>2</sub>)<sub>2</sub>-Ligated Nickel Pincer Complexes.","ACS omega","2018","3","5","4986","5001","10.1021/acsomega.8b00777","","","0.7749","synchrotron","","0.0889","0.0543","","","0.0902","0.1","","","","","","1.002","","","","has coordinates","226037","2020-10-21","18:00:00",""
"4515979","10.0515","0.0004","12.4032","0.0005","18.8698","0.0007","90","","96.8592","0.0013","90","","2335.67","0.16","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H41 N Ni P2 -","- C22 H41 N Ni P2 -","- C88 H164 N4 Ni4 P8 -","4","1","","Wellala, Nadeesha P. N.; Luebking, John D.; Krause, Jeanette A.; Guan, Hairong","Roles of Hydrogen Bonding in Proton Transfer to κ<sup>P</sup>,κ<sup>N</sup>,κ<sup>P</sup>-N(CH<sub>2</sub>CH<sub>2</sub>P <i> <sup>i</sup> </i> Pr<sub>2</sub>)<sub>2</sub>-Ligated Nickel Pincer Complexes.","ACS omega","2018","3","5","4986","5001","10.1021/acsomega.8b00777","","","0.71073","MoKα","","0.0308","0.0251","","","0.0582","0.0617","","","","","","1.081","","","","has coordinates","226037","2020-10-21","18:00:00",""
"4515980","10.1178","0.0005","12.3184","0.0006","18.8095","0.0009","90","","96.5365","0.0008","90","","2329.1","0.2","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H39 N Ni P2 -","- C22 H39 N Ni P2 -","- C88 H156 N4 Ni4 P8 -","4","1","","Wellala, Nadeesha P. N.; Luebking, John D.; Krause, Jeanette A.; Guan, Hairong","Roles of Hydrogen Bonding in Proton Transfer to κ<sup>P</sup>,κ<sup>N</sup>,κ<sup>P</sup>-N(CH<sub>2</sub>CH<sub>2</sub>P <i> <sup>i</sup> </i> Pr<sub>2</sub>)<sub>2</sub>-Ligated Nickel Pincer Complexes.","ACS omega","2018","3","5","4986","5001","10.1021/acsomega.8b00777","","","0.71073","MoKα","","0.0422","0.03","","","0.0716","0.0777","","","","","","1.026","","","","has coordinates","226037","2020-10-21","18:00:00",""
"4515981","8.0453","0.0007","26.962","0.002","11.6488","0.001","90","","94.268","0.003","90","","2519.8","0.4","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H42 Br N Ni P2 -","- C22 H42 Br N Ni P2 -","- C88 H168 Br4 N4 Ni4 P8 -","4","1","","Wellala, Nadeesha P. N.; Luebking, John D.; Krause, Jeanette A.; Guan, Hairong","Roles of Hydrogen Bonding in Proton Transfer to κ<sup>P</sup>,κ<sup>N</sup>,κ<sup>P</sup>-N(CH<sub>2</sub>CH<sub>2</sub>P <i> <sup>i</sup> </i> Pr<sub>2</sub>)<sub>2</sub>-Ligated Nickel Pincer Complexes.","ACS omega","2018","3","5","4986","5001","10.1021/acsomega.8b00777","","","0.7749","synchrotron","","0.0594","0.0398","","","0.0875","0.0953","","","","","","1.025","","","","has coordinates","226037","2020-10-21","18:00:00",""
"4515982","8.5129","0.0011","14.7798","0.0019","10.922","0.0014","90","","98.3608","0.0019","90","","1359.6","0.3","150","2","150","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C22 H42 F6 N Ni P3 -","- C22 H42 F6 N Ni P3 -","- C44 H84 F12 N2 Ni2 P6 -","2","0.5","","Wellala, Nadeesha P. N.; Luebking, John D.; Krause, Jeanette A.; Guan, Hairong","Roles of Hydrogen Bonding in Proton Transfer to κ<sup>P</sup>,κ<sup>N</sup>,κ<sup>P</sup>-N(CH<sub>2</sub>CH<sub>2</sub>P <i> <sup>i</sup> </i> Pr<sub>2</sub>)<sub>2</sub>-Ligated Nickel Pincer Complexes.","ACS omega","2018","3","5","4986","5001","10.1021/acsomega.8b00777","","","0.71073","MoKα","","0.0486","0.0429","","","0.1141","0.1185","","","","","","1.031","","","","has coordinates,has disorder","226037","2020-10-21","18:00:00",""
"4515983","23.872","0.003","12.8733","0.0014","32.405","0.003","90","","102.298","0.003","90","","9729.9","1.9","150","2","150","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C52 H74 B N Ni O1.5 P2 -","- C52 H74 B N Ni O1.5 P2 -","- C416 H592 B8 N8 Ni8 O12 P16 -","8","1","","Wellala, Nadeesha P. N.; Luebking, John D.; Krause, Jeanette A.; Guan, Hairong","Roles of Hydrogen Bonding in Proton Transfer to κ<sup>P</sup>,κ<sup>N</sup>,κ<sup>P</sup>-N(CH<sub>2</sub>CH<sub>2</sub>P <i> <sup>i</sup> </i> Pr<sub>2</sub>)<sub>2</sub>-Ligated Nickel Pincer Complexes.","ACS omega","2018","3","5","4986","5001","10.1021/acsomega.8b00777","","","0.71073","MoKα","","0.0749","0.045","","","0.1041","0.1173","","","","","","1.01","","","","has coordinates","226037","2020-10-21","18:00:00",""
"4515984","32.1922","0.0009","15.3802","0.0004","17.2936","0.0005","90","","119.352","0.001","90","","7463.2","0.4","150","2","150","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C68 H85 Cl4 D24 N2 Ni3 O0.5 P4 -","- C68 H85 Cl4 D24 N2 Ni3 O0.5 P4 -","- C272 H340 Cl16 D96 N8 Ni12 O2 P16 -","4","0.5","","Wellala, Nadeesha P. N.; Luebking, John D.; Krause, Jeanette A.; Guan, Hairong","Roles of Hydrogen Bonding in Proton Transfer to κ<sup>P</sup>,κ<sup>N</sup>,κ<sup>P</sup>-N(CH<sub>2</sub>CH<sub>2</sub>P <i> <sup>i</sup> </i> Pr<sub>2</sub>)<sub>2</sub>-Ligated Nickel Pincer Complexes.","ACS omega","2018","3","5","4986","5001","10.1021/acsomega.8b00777","","","1.54178","CuKα","","0.0449","0.0396","","","0.1051","0.1098","","","","","","1.019","","","","has coordinates,has disorder","226037","2020-10-21","18:00:00",""
"4515985","7.5986","0.0004","8.7665","0.0005","17.3743","0.0009","76.1042","0.0019","85.058","0.002","67.0003","0.0018","1034.14","0.1","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H39 N Ni P2 -","- C17 H39 N Ni P2 -","- C34 H78 N2 Ni2 P4 -","2","1","","Wellala, Nadeesha P. N.; Luebking, John D.; Krause, Jeanette A.; Guan, Hairong","Roles of Hydrogen Bonding in Proton Transfer to κ<sup>P</sup>,κ<sup>N</sup>,κ<sup>P</sup>-N(CH<sub>2</sub>CH<sub>2</sub>P <i> <sup>i</sup> </i> Pr<sub>2</sub>)<sub>2</sub>-Ligated Nickel Pincer Complexes.","ACS omega","2018","3","5","4986","5001","10.1021/acsomega.8b00777","","","0.7749","synchrotron","","0.058","0.0364","","","0.0644","0.0726","","","","","","1.072","","","","has coordinates,has disorder","226037","2020-10-21","18:00:00",""
"4515986","12.6037","0.0007","8.7388","0.0006","19.9677","0.0012","90","","99.276","0.002","90","","2170.5","0.2","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C17 H40 Cl N Ni P2 -","- C17 H40 Cl N Ni P2 -","- C68 H160 Cl4 N4 Ni4 P8 -","4","1","","Wellala, Nadeesha P. N.; Luebking, John D.; Krause, Jeanette A.; Guan, Hairong","Roles of Hydrogen Bonding in Proton Transfer to κ<sup>P</sup>,κ<sup>N</sup>,κ<sup>P</sup>-N(CH<sub>2</sub>CH<sub>2</sub>P <i> <sup>i</sup> </i> Pr<sub>2</sub>)<sub>2</sub>-Ligated Nickel Pincer Complexes.","ACS omega","2018","3","5","4986","5001","10.1021/acsomega.8b00777","","","0.71073","MoKα","","0.0362","0.0267","","","0.0617","0.066","","","","","","1.068","","","","has coordinates","226037","2020-10-21","18:00:00",""
"4515987","12.7823","0.0007","8.7196","0.0005","20.1343","0.001","90","","99.226","0.002","90","","2215.1","0.2","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C17 H40 Br N Ni P2 -","- C17 H40 Br N Ni P2 -","- C68 H160 Br4 N4 Ni4 P8 -","4","1","","Wellala, Nadeesha P. N.; Luebking, John D.; Krause, Jeanette A.; Guan, Hairong","Roles of Hydrogen Bonding in Proton Transfer to κ<sup>P</sup>,κ<sup>N</sup>,κ<sup>P</sup>-N(CH<sub>2</sub>CH<sub>2</sub>P <i> <sup>i</sup> </i> Pr<sub>2</sub>)<sub>2</sub>-Ligated Nickel Pincer Complexes.","ACS omega","2018","3","5","4986","5001","10.1021/acsomega.8b00777","","","0.7749","synchrotron","","0.0319","0.0251","","","0.0605","0.0634","","","","","","1.027","","","","has coordinates","226037","2020-10-21","18:00:00",""
"4515988","17.6124","0.0013","12.9737","0.001","18.4955","0.0013","90","","112.686","0.0013","90","","3899.2","0.5","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C41 H60 B N Ni P2 -","- C41 H60 B N Ni P2 -","- C164 H240 B4 N4 Ni4 P8 -","4","1","","Wellala, Nadeesha P. N.; Luebking, John D.; Krause, Jeanette A.; Guan, Hairong","Roles of Hydrogen Bonding in Proton Transfer to κ<sup>P</sup>,κ<sup>N</sup>,κ<sup>P</sup>-N(CH<sub>2</sub>CH<sub>2</sub>P <i> <sup>i</sup> </i> Pr<sub>2</sub>)<sub>2</sub>-Ligated Nickel Pincer Complexes.","ACS omega","2018","3","5","4986","5001","10.1021/acsomega.8b00777","","","1.0333","synchrotron","","0.0325","0.0288","","","0.068","0.0699","","","","","","1.06","","","","has coordinates","226037","2020-10-21","18:00:00",""
"4515989","8.7102","0.0003","10.8084","0.0004","22.818","0.0007","90","","90.016","0.001","90","","2148.16","0.13","150","2","150","2","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C16 H37 Cl2 N Ni P2 -","- C16 H37 Cl2 N Ni P2 -","- C64 H148 Cl8 N4 Ni4 P8 -","4","2","","Wellala, Nadeesha P. N.; Luebking, John D.; Krause, Jeanette A.; Guan, Hairong","Roles of Hydrogen Bonding in Proton Transfer to κ<sup>P</sup>,κ<sup>N</sup>,κ<sup>P</sup>-N(CH<sub>2</sub>CH<sub>2</sub>P <i> <sup>i</sup> </i> Pr<sub>2</sub>)<sub>2</sub>-Ligated Nickel Pincer Complexes.","ACS omega","2018","3","5","4986","5001","10.1021/acsomega.8b00777","","","0.71073","MoKα","","0.0235","0.0211","","","0.0471","0.0485","","","","","","1.049","","","","has coordinates","226037","2020-10-21","18:00:00",""
"4515990","18.8225","0.0005","18.8225","0.0005","8.3226","0.0003","90","","90","","90","","2948.58","0.15","150","2","150","2","","","","","","","","5","P 42/n :2","-P 4bc","86","","","","- C12 H21 I N2 Ni -","- C12 H21 I N2 Ni -","- C96 H168 I8 N16 Ni8 -","8","1","","Wellala, Nadeesha P. N.; Luebking, John D.; Krause, Jeanette A.; Guan, Hairong","Roles of Hydrogen Bonding in Proton Transfer to κ<sup>P</sup>,κ<sup>N</sup>,κ<sup>P</sup>-N(CH<sub>2</sub>CH<sub>2</sub>P <i> <sup>i</sup> </i> Pr<sub>2</sub>)<sub>2</sub>-Ligated Nickel Pincer Complexes.","ACS omega","2018","3","5","4986","5001","10.1021/acsomega.8b00777","","","0.71073","MoKα","","0.0245","0.0189","","","0.0389","0.0411","","","","","","1.067","","","","has coordinates","226037","2020-10-21","18:00:00",""
"4515991","29.3277","0.0014","21.7233","0.0018","15.2203","0.0005","90","","103.351","0.004","90","","9434.7","1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C48 H30 Eu2 N12 O12 -","- C48 H31 Eu2 N12 O12 -","- C192 H124 Eu8 N48 O48 -","4","1","","Yao, Jin; Zhao, Yan-Wu; Zhang, Xian-Ming","Breathing Europium-Terbium Co-doped Luminescent MOF as a Broad-Range Ratiometric Thermometer with a Contrasting Temperature-Intensity Relationship.","ACS omega","2018","3","5","5754","5760","10.1021/acsomega.8b00199","","","0.71073","MoKα","","0.1917","0.1499","","","0.3856","0.4087","","","","","","1.161","","","","has coordinates","226038","2020-10-21","18:00:00",""
"4515992","12.9768","0.0012","15.5079","0.0015","23.549","0.002","90","","96.737","0.001","90","","4706.3","0.7","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C64 H100 N8 Ni4 O36 Y4 -","- C64 H100 N8 Ni4 O36 Y4 -","- C128 H200 N16 Ni8 O72 Y8 -","2","0.5","","Kalita, Pankaj; Goura, Joydeb; Herrera, Juan Manuel; Colacio, Enrique; Chandrasekhar, Vadapalli","Heterometallic Octanuclear Ni<sup>II</sup><sub>4</sub>Ln<sup>III</sup><sub>4</sub> (Ln = Y, Gd, Tb, Dy, Ho, Er) Complexes Containing Ni<sup>II</sup><sub>2</sub>Ln<sup>III</sup><sub>2</sub>O<sub>4</sub> Distorted Cubane Motifs: Synthesis, Structure, and Magnetic Properties.","ACS omega","2018","3","5","5202","5211","10.1021/acsomega.8b00292","","x-ray","0.71073","MoKα","","0.092","0.0457","","","0.0959","0.1098","","","","","","1.012","","","","has coordinates","226039","2020-10-21","18:00:00",""
"4515993","12.8381","0.0006","15.4317","0.0006","23.4889","0.001","90","","96.593","0.003","90","","4622.7","0.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C64 H100 Gd4 N8 Ni4 O36 -","- C64 H100 Gd4 N8 Ni4 O36 -","- C128 H200 Gd8 N16 Ni8 O72 -","2","0.5","","Kalita, Pankaj; Goura, Joydeb; Herrera, Juan Manuel; Colacio, Enrique; Chandrasekhar, Vadapalli","Heterometallic Octanuclear Ni<sup>II</sup><sub>4</sub>Ln<sup>III</sup><sub>4</sub> (Ln = Y, Gd, Tb, Dy, Ho, Er) Complexes Containing Ni<sup>II</sup><sub>2</sub>Ln<sup>III</sup><sub>2</sub>O<sub>4</sub> Distorted Cubane Motifs: Synthesis, Structure, and Magnetic Properties.","ACS omega","2018","3","5","5202","5211","10.1021/acsomega.8b00292","","x-ray","0.71073","MoKα","","0.0464","0.037","","","0.0985","0.1032","","","","","","1.035","","","","has coordinates","301843","2025-08-21","01:58:46",""
"4515994","12.9219","0.0008","15.516","0.001","23.5346","0.0013","90","","96.576","0.003","90","","4687.6","0.5","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C64 H100 N8 Ni4 O36 Tb4 -","- C64 H100 N8 Ni4 O36 Tb4 -","- C128 H200 N16 Ni8 O72 Tb8 -","2","0.5","","Kalita, Pankaj; Goura, Joydeb; Herrera, Juan Manuel; Colacio, Enrique; Chandrasekhar, Vadapalli","Heterometallic Octanuclear Ni<sup>II</sup><sub>4</sub>Ln<sup>III</sup><sub>4</sub> (Ln = Y, Gd, Tb, Dy, Ho, Er) Complexes Containing Ni<sup>II</sup><sub>2</sub>Ln<sup>III</sup><sub>2</sub>O<sub>4</sub> Distorted Cubane Motifs: Synthesis, Structure, and Magnetic Properties.","ACS omega","2018","3","5","5202","5211","10.1021/acsomega.8b00292","","x-ray","0.71073","MoKα","","0.09","0.052","","","0.1333","0.1574","","","","","","1.058","","","","has coordinates","226039","2020-10-21","18:00:00",""
"4515995","12.832","0.003","15.413","0.003","23.419","0.005","90","","96.765","0.004","90","","4599.6","1.7","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C64 H100 Dy4 N8 Ni4 O36 -","- C64 H100 Dy4 N8 Ni4 O36 -","- C128 H200 Dy8 N16 Ni8 O72 -","2","0.5","","Kalita, Pankaj; Goura, Joydeb; Herrera, Juan Manuel; Colacio, Enrique; Chandrasekhar, Vadapalli","Heterometallic Octanuclear Ni<sup>II</sup><sub>4</sub>Ln<sup>III</sup><sub>4</sub> (Ln = Y, Gd, Tb, Dy, Ho, Er) Complexes Containing Ni<sup>II</sup><sub>2</sub>Ln<sup>III</sup><sub>2</sub>O<sub>4</sub> Distorted Cubane Motifs: Synthesis, Structure, and Magnetic Properties.","ACS omega","2018","3","5","5202","5211","10.1021/acsomega.8b00292","","x-ray","0.71073","MoKα","","0.0702","0.0484","","","0.1129","0.1313","","","","","","1.061","","","","has coordinates","301843","2025-08-21","01:58:46",""
"4515996","12.9771","0.0007","15.5019","0.0008","23.5655","0.0013","90","","96.714","0.003","90","","4708.2","0.4","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C64 H100 Ho4 N8 Ni4 O36 -","- C64 H100 Ho4 N8 Ni4 O36 -","- C128 H200 Ho8 N16 Ni8 O72 -","2","0.5","","Kalita, Pankaj; Goura, Joydeb; Herrera, Juan Manuel; Colacio, Enrique; Chandrasekhar, Vadapalli","Heterometallic Octanuclear Ni<sup>II</sup><sub>4</sub>Ln<sup>III</sup><sub>4</sub> (Ln = Y, Gd, Tb, Dy, Ho, Er) Complexes Containing Ni<sup>II</sup><sub>2</sub>Ln<sup>III</sup><sub>2</sub>O<sub>4</sub> Distorted Cubane Motifs: Synthesis, Structure, and Magnetic Properties.","ACS omega","2018","3","5","5202","5211","10.1021/acsomega.8b00292","","x-ray","0.71073","MoKα","","0.0542","0.0357","","","0.0757","0.0831","","","","","","0.978","","","","has coordinates","301843","2025-08-21","01:58:46",""
"4515997","12.9222","0.0003","15.4758","0.0003","23.4658","0.0004","90","","96.601","0.001","90","","4661.61","0.16","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C64 H100 Er4 N8 Ni4 O36 -","- C64 H100 Er4 N8 Ni4 O36 -","- C128 H200 Er8 N16 Ni8 O72 -","2","0.5","","Kalita, Pankaj; Goura, Joydeb; Herrera, Juan Manuel; Colacio, Enrique; Chandrasekhar, Vadapalli","Heterometallic Octanuclear Ni<sup>II</sup><sub>4</sub>Ln<sup>III</sup><sub>4</sub> (Ln = Y, Gd, Tb, Dy, Ho, Er) Complexes Containing Ni<sup>II</sup><sub>2</sub>Ln<sup>III</sup><sub>2</sub>O<sub>4</sub> Distorted Cubane Motifs: Synthesis, Structure, and Magnetic Properties.","ACS omega","2018","3","5","5202","5211","10.1021/acsomega.8b00292","","x-ray","0.71073","MoKα","","0.0844","0.043","","","0.0977","0.1159","","","","","","1.007","","","","has coordinates","301843","2025-08-21","01:58:46",""
"4515998","7.72","0.004","8.727","0.005","11.731","0.006","82.547","0.013","79.592","0.013","67.366","0.012","715.9","0.7","296.15","","296.15","","","","","","","","","4","P -1","-P 1","2","","","","- C13 H18 N4 S -","- C13 H18 N4 S -","- C26 H36 N8 S2 -","2","1","","Siddaraju, Yogesh; Prabhu, Kandikere Ramaiah","Iodine-Catalyzed Chemoselective Hydroamination Reaction Using 5-Mercaptotetrazoles Derivatives.","ACS omega","2018","3","5","4908","4917","10.1021/acsomega.8b00499","","x-ray","0.71073","MoKα","","0.1661","0.0424","","","0.1198","0.1286","","","","","","1.128","","","","has coordinates","301843","2025-08-21","01:58:46",""
"4515999","17.0948","0.0003","7.0396","0.0001","17.6526","0.0003","90","","91.814","0.001","90","","2123.26","0.06","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H30 Au B Cl P -","- C21 H30 Au B Cl P -","- C84 H120 Au4 B4 Cl4 P4 -","4","1","","Boom, Devin H. A.; Ehlers, Andreas W.; Nieger, Martin; Devillard, Marc; Bouhadir, Ghenwa; Bourissou, Didier; Slootweg, J. Chris","Gold(I) Complexes of the Geminal Phosphinoborane <i>t</i>Bu<sub>2</sub>PCH<sub>2</sub>BPh<sub>2</sub>.","ACS omega","2018","3","4","3945","3951","10.1021/acsomega.8b00143","","","0.71073","MoKα","","0.0399","0.0347","","","0.0788","0.0824","","","","","","1.065","","","","has coordinates","226042","2020-10-21","18:00:00",""
"4516000","28.3351","0.0008","11.3935","0.0003","27.095","0.0007","90","","112.237","0.003","90","","8096.7","0.4","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C42 H60 Au B2 Cl P2 -","- C42 H60 Au B2 Cl P2 -","- C336 H480 Au8 B16 Cl8 P16 -","8","1","","Boom, Devin H. A.; Ehlers, Andreas W.; Nieger, Martin; Devillard, Marc; Bouhadir, Ghenwa; Bourissou, Didier; Slootweg, J. Chris","Gold(I) Complexes of the Geminal Phosphinoborane <i>t</i>Bu<sub>2</sub>PCH<sub>2</sub>BPh<sub>2</sub>.","ACS omega","2018","3","4","3945","3951","10.1021/acsomega.8b00143","","","0.71073","MoKα","","0.0428","0.0319","","","0.0672","0.0728","","","","","","1.04","","","","has coordinates","301843","2025-08-21","01:58:46",""
"4516001","19.0712","0.0008","18.7238","0.0007","23.2135","0.001","90","","90","","90","","8289.2","0.6","123","2","123","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C44 H57 Au B Cl P2 -","- C44 H57 Au B Cl P2 -","- C352 H456 Au8 B8 Cl8 P16 -","8","1","","Boom, Devin H. A.; Ehlers, Andreas W.; Nieger, Martin; Devillard, Marc; Bouhadir, Ghenwa; Bourissou, Didier; Slootweg, J. Chris","Gold(I) Complexes of the Geminal Phosphinoborane <i>t</i>Bu<sub>2</sub>PCH<sub>2</sub>BPh<sub>2</sub>.","ACS omega","2018","3","4","3945","3951","10.1021/acsomega.8b00143","","","0.71073","MoKα","","0.0464","0.0272","","","0.049","0.056","","","","","","1.081","","","","has coordinates","301843","2025-08-21","01:58:46",""
"4516002","11.398","0.003","13.023","0.003","18.513","0.004","100.166","0.004","103.867","0.004","110.924","0.004","2385.6","1","296","2","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C40 H40 Ag2 Br4 N4 -","- C40 H40 Ag2 Br4 N4 -","- C80 H80 Ag4 Br8 N8 -","2","1","","Liu, Qing-Xiang; Hu, Ze-Liang; Yu, Shao-Cong; Zhao, Zhi-Xiang; Wei, Deng-Che; Li, Hui-Long","NHC Pd(II) and Ag(I) Complexes: Synthesis, Structure, and Catalytic Activity in Three Types of C-C Coupling Reactions.","ACS omega","2018","3","4","4035","4047","10.1021/acsomega.8b00205","","","0.71073","MoKα","","0.1238","0.0855","","","0.2535","0.2918","","","","","","1.049","","","","has coordinates","226043","2020-10-21","18:00:00",""
"4516003","8.4181","0.0006","29.944","0.002","15.6855","0.0009","90","","108.026","0.003","90","","3759.8","0.4","173","2","173.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C39 H38 Ag2 Br2 Cl2 N6 -","- C39 H38 Ag2 Br2 Cl2 N6 -","- C156 H152 Ag8 Br8 Cl8 N24 -","4","1","","Liu, Qing-Xiang; Hu, Ze-Liang; Yu, Shao-Cong; Zhao, Zhi-Xiang; Wei, Deng-Che; Li, Hui-Long","NHC Pd(II) and Ag(I) Complexes: Synthesis, Structure, and Catalytic Activity in Three Types of C-C Coupling Reactions.","ACS omega","2018","3","4","4035","4047","10.1021/acsomega.8b00205","","","0.71073","MoKα","","0.0795","0.0748","","","0.1795","0.1822","","","","","","1.034","","","","has coordinates,has disorder","226044","2020-10-21","18:00:00",""
"4516004","13.0472","0.001","12.5773","0.001","18.2141","0.0015","90","","90.564","0.001","90","","2988.8","0.4","173","2","173.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H34 Ag2 Br2 N4 -","- C32 H34 Ag2 Br2 N4 -","- C128 H136 Ag8 Br8 N16 -","4","1","","Liu, Qing-Xiang; Hu, Ze-Liang; Yu, Shao-Cong; Zhao, Zhi-Xiang; Wei, Deng-Che; Li, Hui-Long","NHC Pd(II) and Ag(I) Complexes: Synthesis, Structure, and Catalytic Activity in Three Types of C-C Coupling Reactions.","ACS omega","2018","3","4","4035","4047","10.1021/acsomega.8b00205","","","0.71073","MoKα","","0.0423","0.0314","","","0.0733","0.0782","","","","","","1.04","","","","has coordinates","226045","2020-10-21","18:00:00",""
"4516005","20.0687","0.0014","8.9504","0.0006","18.1404","0.0013","90","","106.464","0.001","90","","3124.8","0.4","296","2","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H34 Cl4 N4 Pd2 -","- C30 H34 Cl4 N4 Pd2 -","- C120 H136 Cl16 N16 Pd8 -","4","1","","Liu, Qing-Xiang; Hu, Ze-Liang; Yu, Shao-Cong; Zhao, Zhi-Xiang; Wei, Deng-Che; Li, Hui-Long","NHC Pd(II) and Ag(I) Complexes: Synthesis, Structure, and Catalytic Activity in Three Types of C-C Coupling Reactions.","ACS omega","2018","3","4","4035","4047","10.1021/acsomega.8b00205","","","0.71073","MoKα","","0.0451","0.04","","","0.1128","0.1166","","","","","","1.096","","","","has coordinates","226046","2020-10-21","18:00:00",""
"4516006","6.2327","0.0003","10.6629","0.0006","27.47","0.0013","90","","90","","90","","1825.62","0.16","100.01","0.1","100.01","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H26 N2 O5 -","- C18 H26 N2 O5 -","- C72 H104 N8 O20 -","4","1","","Nandi, Sujay Kumar; Maji, Krishnendu; Haldar, Debasish","Self-Healing Hydrogel from a Dipeptide and HCl Sensing.","ACS omega","2018","3","4","3744","3751","10.1021/acsomega.8b00358","","x-ray","0.71073","MoKα","","0.0519","0.0457","","","0.1173","0.1231","","","","","","1.045","","","","has coordinates","301843","2025-08-21","01:58:46",""
"4516007","20.8293","0.0005","7.7968","0.0001","22.183","0.0005","90","","113.025","0.003","90","","3315.56","0.14","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C32 H32 N10 O10 -","- C32 H32 N10 O10 -","- C128 H128 N40 O40 -","4","1","","Havel, Václav; Sadilová, Tereza; Šindelář, Vladimír","Unsubstituted Bambusurils: Post-Macrocyclization Modification of Versatile Intermediates.","ACS omega","2018","3","4","4657","4663","10.1021/acsomega.8b00497","","","0.71073","MoKα","","0.0539","0.0389","","","0.0946","0.1031","","","","","","1.031","","","","has coordinates","301843","2025-08-21","01:58:46",""
"4516008","7.2243","0.001","8.0299","0.0011","9.8872","0.0013","110.099","0.002","90.348","0.002","98.938","0.002","531","0.13","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H5 F3 N4 S -","- C10 H5 F3 N4 S -","- C20 H10 F6 N8 S2 -","2","1","","Liu, Jin; Wang, Yu-Ling; Zhang, Ji-Hong; Yang, Jian-Shan; Mou, Han-Chuan; Lin, Jun; Yan, Sheng-Jiao","Phosphatase CDC25B Inhibitors Produced by Basic Alumina-Supported One-Pot Gram-Scale Synthesis of Fluorinated 2-Alkylthio-4-aminoquinazolines Using Microwave Irradiation.","ACS omega","2018","3","4","4534","4544","10.1021/acsomega.8b00640","","","0.71073","MoKα","","0.0503","0.0355","","","0.0928","0.1094","","","","","","1.052","","","","has coordinates","301843","2025-08-21","01:58:46",""
"4516009","6.07198","0.00018","26.2431","0.0007","11.6359","0.0003","90","","96.071","0.002","90","","1843.75","0.09","180","","180","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1-(7-benzyl-4-phenyl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)pyrrolidine-2,5-dione","","- C23 H18 N4 O2 -","- C23 H18 N4 O2 -","- C92 H72 N16 O8 -","4","1","","Sabat, Nazarii; Poštová Slavětínská, Lenka; Klepetářová, Blanka; Hocek, Michal","C-H Imidation of 7-Deazapurines.","ACS omega","2018","3","4","4674","4678","10.1021/acsomega.8b00520","","x-ray","1.54184","CuKα","","0.047","0.0414","","0.0547","0.0481","0.0481","","","","","","1.1098","","","","has coordinates","301843","2025-08-21","01:58:46",""
"4516010","5.2108","0.0003","17.0359","0.001","21.6439","0.0013","98.767","0.001","92.401","0.001","94.199","0.001","1891.05","0.19","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C48 H54 Co1.5 N6 -","- C48 H54 Co1.5 N6 -","- C96 H108 Co3 N12 -","2","1","","Koide, Taro; Aritome, Isao; Saeki, Tatsuya; Morita, Yoshitsugu; Shiota, Yoshihito; Yoshizawa, Kazunari; Shimakoshi, Hisashi; Hisaeda, Yoshio","Cobalt-Carbon Bond Formation Reaction via Ligand Reduction of Porphycene-Cobalt(II) Complex and Its Noninnocent Reactivity.","ACS omega","2018","3","4","4027","4034","10.1021/acsomega.8b00239","","","0.71073","MoKα","","0.0823","0.0468","","","0.0798","0.0902","","","","","","1.007","","","","has coordinates","226051","2020-10-21","18:00:00",""
"4516011","23.6733","0.0017","18.9166","0.0013","17.611","0.0013","90","","109.708","0.003","90","","7424.6","0.9","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C72 H68 Cu2 N8 O14 -","- C72 H68 Cu2 N8 O14 -","- C288 H272 Cu8 N32 O56 -","4","1","","Bhattacharyya, Sohini; Chakraborty, Anindita; Hazra, Arpan; Maji, Tapas Kumar","Tetracarboxylate Linker-Based Flexible Cu<sup>II</sup> Frameworks: Efficient Separation of CO<sub>2</sub> from CO<sub>2</sub>/N<sub>2</sub> and C<sub>2</sub>H<sub>2</sub> from C<sub>2</sub>H<sub>2</sub>/C<sub>2</sub>H<sub>4</sub> Mixtures.","ACS omega","2018","3","2","2018","2026","10.1021/acsomega.7b01964","","","0.71073","MoKα","","0.1643","0.104","","","0.2757","0.2958","","","","","","0.961","","","","has coordinates,has disorder","226052","2020-10-21","18:00:00",""
"4516012","44.8511","0.001","19.046","0.0004","14.7115","0.0003","90","","102.38","0.001","90","","12274.8","0.5","295","2","295","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C112 H100 Cu4 N12 O37 -","- C112 H100 Cu4 N12 O37 -","- C448 H400 Cu16 N48 O148 -","4","0.5","","Bhattacharyya, Sohini; Chakraborty, Anindita; Hazra, Arpan; Maji, Tapas Kumar","Tetracarboxylate Linker-Based Flexible Cu<sup>II</sup> Frameworks: Efficient Separation of CO<sub>2</sub> from CO<sub>2</sub>/N<sub>2</sub> and C<sub>2</sub>H<sub>2</sub> from C<sub>2</sub>H<sub>2</sub>/C<sub>2</sub>H<sub>4</sub> Mixtures.","ACS omega","2018","3","2","2018","2026","10.1021/acsomega.7b01964","","","0.71073","MoKα","","0.1148","0.068","","","0.1871","0.217","","","","","","1.034","","","","has coordinates,has disorder","226053","2020-10-21","18:00:00",""
"4516013","32.6621","0.0015","21.5252","0.001","19.0566","0.0009","90","","90","","90","","13397.9","1.1","173","","173","0.3","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- H81.32 K12.87 O150.66 P5 W30 -","- K12.866 O150.662 P5 W30 -","- K51.464 O602.648 P20 W120 -","4","0.5","","Hayashi, Akio; Wihadi, Muh Nur Khoiru; Ota, Hiromi; López, Xavier; Ichihashi, Katsuya; Nishihara, Sadafumi; Inoue, Katsuya; Tsunoji, Nao; Sano, Tsuneji; Sadakane, Masahiro","Preparation of Preyssler-type Phosphotungstate with One Central Potassium Cation and Potassium Cation Migration into the Preyssler Molecule to form Di-Potassium-Encapsulated Derivative.","ACS omega","2018","3","2","2363","2373","10.1021/acsomega.8b00163","","","0.71073","MoKα","","0.0331","0.0229","","","0.0482","0.0522","","","","","","1.073","","","","has coordinates,has disorder","226054","2020-10-21","18:00:00",""
"4516014","12.43","0.004","9.127","0.003","21.477","0.007","90","","90.584","0.008","90","","2436.4","1.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H32 N0 O3 S -","- C27 H32 O3 S -","- C108 H128 O12 S4 -","4","1","","Liu, Teng; Liu, Jianjun; Xia, Shubiao; Meng, Jie; Shen, Xianfu; Zhu, Xiufang; Chen, Wenchang; Sun, Chengke; Cheng, Feixiang","Catalyst-Free 1,6-Conjugate Addition/Aromatization/Sulfonylation of <i>para</i>-Quinone Methides: Facile Access to Diarylmethyl Sulfones.","ACS omega","2018","3","2","1409","1415","10.1021/acsomega.7b01745","","","0.71073","MoKα","","0.2008","0.0744","","","0.2006","0.2529","","","","","","1.025","","","","has coordinates","226055","2020-10-21","18:00:00",""
"4516015","15.7722","0.001","8.8439","0.0007","23.3357","0.0012","90","","128.255","0.003","90","","2556.1","0.3","140","2","140","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C29 H22 F3 N3 O3 S -","- C29 H22 F3 N3 O3 S -","- C116 H88 F12 N12 O12 S4 -","4","1","","Dutta, Champak; Ghorai, Debasish; Choudhury, Joyanta","To ""Rollover"" or Not? Stereoelectronically Guided C-H Functionalization Pathways from Rhodium-Abnormal NHC Intermediates.","ACS omega","2018","3","2","1614","1620","10.1021/acsomega.7b01846","","","0.71073","MoKα","","0.1052","0.0584","","","0.1032","0.1181","","","","","","1.009","","","","has coordinates","301843","2025-08-21","01:58:46",""
"4516016","14.831","0.002","8.5492","0.0013","18.749","0.002","90","","104.09","0.006","90","","2305.7","0.5","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C20 H26 Cl F6 N3 P Rh -","- C20 H26 Cl F6 N3 P Rh -","- C80 H104 Cl4 F24 N12 P4 Rh4 -","4","1","","Dutta, Champak; Ghorai, Debasish; Choudhury, Joyanta","To ""Rollover"" or Not? Stereoelectronically Guided C-H Functionalization Pathways from Rhodium-Abnormal NHC Intermediates.","ACS omega","2018","3","2","1614","1620","10.1021/acsomega.7b01846","","","0.71073","MoKα","","0.0345","0.0308","","","0.0793","0.0817","","","","","","1.019","","","","has coordinates","226057","2020-10-21","18:00:00",""
"4516017","24.1002","0.001","15.1276","0.0006","13.5007","0.0006","90","","116.068","0.002","90","","4421.4","0.3","140","2","140","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H22 F6 N3 P -","- C24 H22 F6 N3 P -","- C192 H176 F48 N24 P8 -","8","1","","Dutta, Champak; Ghorai, Debasish; Choudhury, Joyanta","To ""Rollover"" or Not? Stereoelectronically Guided C-H Functionalization Pathways from Rhodium-Abnormal NHC Intermediates.","ACS omega","2018","3","2","1614","1620","10.1021/acsomega.7b01846","","","0.71073","MoKα","","0.1074","0.0688","","","0.1862","0.2046","","","","","","1.313","","","","has coordinates","301843","2025-08-21","01:58:46",""
"4516018","9.1839","0.0012","27.796","0.004","9.7373","0.0013","90","","94.388","0.004","90","","2478.4","0.6","120","2","120","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C24 H28 Cl F6 N3 P Rh -","- C24 H28 Cl F6 N3 P Rh -","- C96 H112 Cl4 F24 N12 P4 Rh4 -","4","1","","Dutta, Champak; Ghorai, Debasish; Choudhury, Joyanta","To ""Rollover"" or Not? Stereoelectronically Guided C-H Functionalization Pathways from Rhodium-Abnormal NHC Intermediates.","ACS omega","2018","3","2","1614","1620","10.1021/acsomega.7b01846","","","0.71073","MoKα","","0.1078","0.0779","","","0.1589","0.1709","","","","","","1.116","","","","has coordinates","226059","2020-10-21","18:00:00",""
"4516019","11.612","0.0003","13.3307","0.0004","13.8927","0.0005","62.692","0.003","85.611","0.002","70.196","0.003","1789.83","0.12","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H48 Cl2 N4 O Ru -","- C36 H48 Cl2 N4 O Ru -","- C72 H96 Cl4 N8 O2 Ru2 -","2","1","","Kumar, Dharmendra; Prakasham, A. P.; Das, Sharmistha; Datta, Anindya; Ghosh, Prasenjit","Cyanosilylation of Aromatic Aldehydes by Cationic Ruthenium(II) Complexes of Benzimidazole-Derived O-Functionalized N-Heterocyclic Carbenes at Ambient Temperature under Solvent-Free Conditions.","ACS omega","2018","3","2","1922","1938","10.1021/acsomega.7b02090","","","0.71073","MoKα","","0.0243","0.0222","","","0.0526","0.0534","","","","","","1.045","","","","has coordinates","226060","2020-10-21","18:00:00",""
"4516020","11.04197","0.00015","13.3361","0.0003","13.4517","0.0003","69.6572","0.0018","83.3894","0.0013","82.6029","0.0013","1836.57","0.07","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H44 Cl5 N3 O Ru -","- C34 H44 Cl5 N3 O Ru -","- C68 H88 Cl10 N6 O2 Ru2 -","2","1","","Kumar, Dharmendra; Prakasham, A. P.; Das, Sharmistha; Datta, Anindya; Ghosh, Prasenjit","Cyanosilylation of Aromatic Aldehydes by Cationic Ruthenium(II) Complexes of Benzimidazole-Derived O-Functionalized N-Heterocyclic Carbenes at Ambient Temperature under Solvent-Free Conditions.","ACS omega","2018","3","2","1922","1938","10.1021/acsomega.7b02090","","","0.71073","MoKα","","0.0459","0.0418","","","0.1011","0.1036","","","","","","1.037","","","","has coordinates","226060","2020-10-21","18:00:00",""
"4516021","9.9088","0.0002","11.7379","0.0002","14.6956","0.0003","109.254","0.0019","99.6774","0.0018","107.508","0.0018","1469.48","0.06","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H39 Cl2 N3 O2 Ru -","- C30 H39 Cl2 N3 O2 Ru -","- C60 H78 Cl4 N6 O4 Ru2 -","2","1","","Kumar, Dharmendra; Prakasham, A. P.; Das, Sharmistha; Datta, Anindya; Ghosh, Prasenjit","Cyanosilylation of Aromatic Aldehydes by Cationic Ruthenium(II) Complexes of Benzimidazole-Derived O-Functionalized N-Heterocyclic Carbenes at Ambient Temperature under Solvent-Free Conditions.","ACS omega","2018","3","2","1922","1938","10.1021/acsomega.7b02090","","","0.71073","MoKα","","0.0293","0.0248","","","0.0599","0.0616","","","","","","1.043","","","","has coordinates","226060","2020-10-21","18:00:00",""
"4516022","9.8105","0.0003","15.9779","0.0003","14.0138","0.0004","90","","106.163","0.003","90","","2109.85","0.1","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C46 H56 Ag2 N6 O2 -","- C46 H56 Ag2 N6 O2 -","- C92 H112 Ag4 N12 O4 -","2","0.5","","Kumar, Dharmendra; Prakasham, A. P.; Das, Sharmistha; Datta, Anindya; Ghosh, Prasenjit","Cyanosilylation of Aromatic Aldehydes by Cationic Ruthenium(II) Complexes of Benzimidazole-Derived O-Functionalized N-Heterocyclic Carbenes at Ambient Temperature under Solvent-Free Conditions.","ACS omega","2018","3","2","1922","1938","10.1021/acsomega.7b02090","","x-ray","0.71073","MoKα","","0.0287","0.0272","","","0.0715","0.0723","","","","","","1.056","","","","has coordinates","226060","2020-10-21","18:00:00",""
"4516023","11.585","0.0009","11.6149","0.0011","13.2151","0.0012","99.42","0.002","113.923","0.004","103.89","0.003","1508.1","0.2","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H29 N2 O7 S2 -","- C33 H28 N2 O7 S2 -","- C66 H56 N4 O14 S4 -","2","1","","Wang, Ai-Fang; Hao, Wen-Juan; Zhu, Yi-Long; Li, Guigen; Zhou, Peng; Tu, Shu-Jiang; Jiang, Bo","Double SO<sub>2</sub> Insertion into 1,7-Diynes Leading to Functionalized Naphtho[1,2-<i>c</i>]thiophene 2,2-dioxides.","ACS omega","2018","3","2","1482","1491","10.1021/acsomega.7b01789","","","0.71073","MoKα","","0.1491","0.0647","","","0.1491","0.1827","","","","","","0.833","","","","has coordinates,has disorder","226061","2020-10-21","18:00:00",""
"4516024","8.6965","0.0017","13.393","0.003","21.541","0.004","90","","95.392","0.003","90","","2497.8","0.9","100","2","100.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H33 Cl2 N3 Pd -","- C25 H33 Cl2 N3 Pd -","- C100 H132 Cl8 N12 Pd4 -","4","1","","Singh, Chandan; Prakasham, A. P.; Gangwar, Manoj Kumar; Butcher, Raymond J.; Ghosh, Prasenjit","One-Pot Tandem Hiyama Alkynylation/Cyclizations by Palladium(II) Acyclic Diaminocarbene (ADC) Complexes Yielding Biologically Relevant Benzofuran Scaffolds.","ACS omega","2018","3","2","1740","1756","10.1021/acsomega.7b01974","","","0.71075","MoKα","","0.0289","0.026","","","0.0651","0.0668","","","","","","1.052","","","","has coordinates","226062","2020-10-21","18:00:00",""
"4516025","14.7426","0.0006","8.5735","0.0003","19.6079","0.0008","90","","90","","90","","2478.35","0.17","296","2","296","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C24 H31 Cl2 N3 Pd -","- C24 H31 Cl2 N3 Pd -","- C96 H124 Cl8 N12 Pd4 -","4","1","","Singh, Chandan; Prakasham, A. P.; Gangwar, Manoj Kumar; Butcher, Raymond J.; Ghosh, Prasenjit","One-Pot Tandem Hiyama Alkynylation/Cyclizations by Palladium(II) Acyclic Diaminocarbene (ADC) Complexes Yielding Biologically Relevant Benzofuran Scaffolds.","ACS omega","2018","3","2","1740","1756","10.1021/acsomega.7b01974","","","0.71073","MoKα","","0.0973","0.0522","","","0.0875","0.1029","","","","","","1.005","","","","has coordinates","226062","2020-10-21","18:00:00",""
"4516026","8.6515","0.0002","13.5074","0.0003","21.4232","0.0006","90","","98.636","0.003","90","","2475.12","0.11","150","2","150","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H30 Cl2 N3 O Pd -","- C24 H31 Cl2 N3 O Pd -","- C96 H124 Cl8 N12 O4 Pd4 -","4","1","","Singh, Chandan; Prakasham, A. P.; Gangwar, Manoj Kumar; Butcher, Raymond J.; Ghosh, Prasenjit","One-Pot Tandem Hiyama Alkynylation/Cyclizations by Palladium(II) Acyclic Diaminocarbene (ADC) Complexes Yielding Biologically Relevant Benzofuran Scaffolds.","ACS omega","2018","3","2","1740","1756","10.1021/acsomega.7b01974","","","0.71073","MoKα","","0.0413","0.0337","","","0.0716","0.0771","","","","","","1.077","","","","has coordinates","226062","2020-10-21","18:00:00",""
"4516027","8.5727","0.0003","9.0053","0.0004","26.1687","0.001","90","","90","","90","","2020.22","0.14","150","","150","","","","","","","","local","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H30 Cl N O4 -","- C22 H30 Cl N O4 -","- C88 H120 Cl4 N4 O16 -","4","1","","Lan, Ping; Herlt, Anthony J.; Willis, Anthony C.; Taylor, Walter C.; Mander, Lewis N.","Structures of New Alkaloids from Rain Forest Trees <i>Galbulimima belgraveana</i> and <i>Galbulimima baccata</i> in Papua New Guinea, Indonesia, and Northern Australia.","ACS omega","2018","3","2","1912","1921","10.1021/acsomega.7b02065","","","1.54184","CuKα","","0.0664","0.0646","","0.1817","0.1801","0.1817","","","","","","1.0212","","","","has coordinates","301843","2025-08-21","01:58:46",""
"4516028","7.8673","0.0002","9.5188","0.0002","26.3409","0.0005","90","","90","","90","","1972.6","0.08","150","","150","","","","","","","","local","4","P 21 21 21","P 2ac 2ab","19","","","","- C21.488 H33.976 N O3 -","- C21.489 H33.976 N O3 -","- C85.956 H135.904 N4 O12 -","4","1","","Lan, Ping; Herlt, Anthony J.; Willis, Anthony C.; Taylor, Walter C.; Mander, Lewis N.","Structures of New Alkaloids from Rain Forest Trees <i>Galbulimima belgraveana</i> and <i>Galbulimima baccata</i> in Papua New Guinea, Indonesia, and Northern Australia.","ACS omega","2018","3","2","1912","1921","10.1021/acsomega.7b02065","","","1.54184","CuKα","","0.0324","0.0313","","0.0785","0.0776","0.0785","","","","","","1.0016","","","","has coordinates","226064","2020-10-21","18:00:00",""
"4516029","8.3874","0.0003","10.6644","0.0006","13.5952","0.0007","69.268","0.005","89.374","0.004","71.779","0.004","1073.44","0.1","150","","150","","","","","","","","local","4","P 1","P 1","1","","","","- C24 H33 N O5 -","- C24 H33 N O5 -","- C48 H66 N2 O10 -","2","2","","Lan, Ping; Herlt, Anthony J.; Willis, Anthony C.; Taylor, Walter C.; Mander, Lewis N.","Structures of New Alkaloids from Rain Forest Trees <i>Galbulimima belgraveana</i> and <i>Galbulimima baccata</i> in Papua New Guinea, Indonesia, and Northern Australia.","ACS omega","2018","3","2","1912","1921","10.1021/acsomega.7b02065","","","1.54184","CuKα","","0.047","0.0465","","0.1294","0.1287","0.1294","","","","","","1.0188","","","","has coordinates","301843","2025-08-21","01:58:46",""
"4516030","7.4614","0.0001","9.6133","0.0001","28.5458","0.0002","90","","90","","90","","2047.55","0.04","150","","150","","","","","","","","local","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H32 Cl N O2 -","- C21 H32 Cl N O2 -","- C84 H128 Cl4 N4 O8 -","4","1","","Lan, Ping; Herlt, Anthony J.; Willis, Anthony C.; Taylor, Walter C.; Mander, Lewis N.","Structures of New Alkaloids from Rain Forest Trees <i>Galbulimima belgraveana</i> and <i>Galbulimima baccata</i> in Papua New Guinea, Indonesia, and Northern Australia.","ACS omega","2018","3","2","1912","1921","10.1021/acsomega.7b02065","","","1.54184","CuKα","","0.0241","0.0236","","0.0613","0.0609","0.0613","","","","","","1.0098","","","","has coordinates","301843","2025-08-21","01:58:46",""
"4516031","9.0105","0.0001","13.7999","0.0001","33.4435","0.0002","90","","90","","90","","4158.5","0.06","150","","150","","","","","","","","local","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H32 Cl N O4 -","- C22 H32 Cl N O4 -","- C176 H256 Cl8 N8 O32 -","8","2","","Lan, Ping; Herlt, Anthony J.; Willis, Anthony C.; Taylor, Walter C.; Mander, Lewis N.","Structures of New Alkaloids from Rain Forest Trees <i>Galbulimima belgraveana</i> and <i>Galbulimima baccata</i> in Papua New Guinea, Indonesia, and Northern Australia.","ACS omega","2018","3","2","1912","1921","10.1021/acsomega.7b02065","","","1.54184","CuKα","","0.0342","0.0329","","0.0825","0.0818","0.0825","","","","","","1.0279","","","","has coordinates","301843","2025-08-21","01:58:46",""
"4516032","12.707","0.0006","18.741","0.001","19.0369","0.0008","90","","90","","90","","4533.5","0.4","150","","150","","","","","","","","local","4","P 21 21 21","P 2ac 2ab","19","","","","- C46 H70 N2 O8 -","- C46 H70 N2 O8 -","- C184 H280 N8 O32 -","4","1","","Lan, Ping; Herlt, Anthony J.; Willis, Anthony C.; Taylor, Walter C.; Mander, Lewis N.","Structures of New Alkaloids from Rain Forest Trees <i>Galbulimima belgraveana</i> and <i>Galbulimima baccata</i> in Papua New Guinea, Indonesia, and Northern Australia.","ACS omega","2018","3","2","1912","1921","10.1021/acsomega.7b02065","","","1.54184","CuKα","","0.0913","0.067","","0.1712","0.1562","0.1712","","","","","","0.9869","","","","has coordinates","226068","2020-10-21","18:00:00",""
"4516033","10.1135","0.0003","8.7052","0.0001","11.4139","0.0003","90","","113.189","0.003","90","","923.7","0.04","150","","150","","","","","","","","local","5","P 1 21 1","P 2yb","4","","","","- C21 H30 Cl N O2 -","- C21 H30 Cl N O2 -","- C42 H60 Cl2 N2 O4 -","2","1","","Lan, Ping; Herlt, Anthony J.; Willis, Anthony C.; Taylor, Walter C.; Mander, Lewis N.","Structures of New Alkaloids from Rain Forest Trees <i>Galbulimima belgraveana</i> and <i>Galbulimima baccata</i> in Papua New Guinea, Indonesia, and Northern Australia.","ACS omega","2018","3","2","1912","1921","10.1021/acsomega.7b02065","","","1.54184","CuKα","","0.0314","0.0307","","0.084","0.0831","0.084","","","","","","1.0051","","","","has coordinates","301843","2025-08-21","01:58:46",""
"4516034","20.5724","0.0006","9.8586","0.0003","9.7866","0.0003","90","","97.143","0.003","90","","1969.47","0.1","100.01","0.1","100.01","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H20 Cl N3 O5 -","- C21 H20 Cl N3 O5 -","- C84 H80 Cl4 N12 O20 -","4","1","","Joshi, Mayank; Roy Choudhury, Angshuman","Salts of Amoxapine with Improved Solubility for Enhanced Pharmaceutical Applicability.","ACS omega","2018","3","2","2406","2416","10.1021/acsomega.7b02023","","x-ray","0.71073","MoKα","","0.0997","0.0677","","","0.1684","0.1989","","","","","","1.076","","","","has coordinates","301843","2025-08-21","01:58:46",""
"4516035","21.344","0.0009","9.9544","0.0004","17.4685","0.0008","90","","102.041","0.004","90","","3629.8","0.3","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C37 H40 Cl2 N6 O8 -","- C37 H40 Cl2 N6 O8 -","- C148 H160 Cl8 N24 O32 -","4","1","","Joshi, Mayank; Roy Choudhury, Angshuman","Salts of Amoxapine with Improved Solubility for Enhanced Pharmaceutical Applicability.","ACS omega","2018","3","2","2406","2416","10.1021/acsomega.7b02023","","x-ray","0.71073","MoKα","","0.0712","0.0571","","","0.138","0.1475","","","","","","1.077","","","","has coordinates,has disorder","301843","2025-08-21","01:58:46",""
"4516036","9.2238","0.0002","12.4815","0.0002","17.0725","0.0003","86.285","0.001","89.375","0.002","82.224","0.002","1943.33","0.06","100","0.2","100","0.2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H42 Cl2 N6 O10 -","- C40 H42 Cl2 N6 O10 -","- C80 H84 Cl4 N12 O20 -","2","1","","Joshi, Mayank; Roy Choudhury, Angshuman","Salts of Amoxapine with Improved Solubility for Enhanced Pharmaceutical Applicability.","ACS omega","2018","3","2","2406","2416","10.1021/acsomega.7b02023","","x-ray","0.71073","MoKα","","0.0519","0.0418","","","0.1095","0.1188","","","","","","1.064","","","","has coordinates","301843","2025-08-21","01:58:46",""
"4516037","15.721","0.0002","19.4546","0.0003","25.7568","0.0004","90","","97.94","0.002","90","","7802.1","0.2","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H48 Cl2 N6 O11 -","- C38 H48 Cl2 N6 O11 -","- C304 H384 Cl16 N48 O88 -","8","2","","Joshi, Mayank; Roy Choudhury, Angshuman","Salts of Amoxapine with Improved Solubility for Enhanced Pharmaceutical Applicability.","ACS omega","2018","3","2","2406","2416","10.1021/acsomega.7b02023","","x-ray","0.71073","MoKα","","0.1405","0.0699","","","0.1711","0.2243","","","","","","1.037","","","","has coordinates","301843","2025-08-21","01:58:46",""
"4516038","11.085","0.003","16.394","0.005","17.644","0.005","71.995","0.013","83.901","0.012","83.563","0.013","3021.4","1.5","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C22.75 H23 Cl2 Fe N12 O12.75 -","- C22.75 H20 Cl2 Fe N12 O12.75 -","- C91 H80 Cl8 Fe4 N48 O51 -","4","2","","Kimura, Akifumi; Ishida, Takayuki","Spin-Crossover Temperature Predictable from DFT Calculation for Iron(II) Complexes with 4-Substituted Pybox and Related Heteroaromatic Ligands.","ACS omega","2018","3","6","6737","6747","10.1021/acsomega.8b01095","","","0.71073","MoKα","","0.1395","0.0731","","","0.1603","0.1887","","","","","","1.034","","","","has coordinates,has disorder","226074","2020-10-21","18:00:00",""
"4516039","9.678","0.003","9.79","0.003","16.669","0.005","85.581","0.015","80.683","0.016","81.201","0.015","1538","0.8","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C23 H24 Br2 Cl2 Fe N6 O13 -","- C23 H20 Br2 Cl2 Fe N6 O13 -","- C46 H40 Br4 Cl4 Fe2 N12 O26 -","2","1","","Kimura, Akifumi; Ishida, Takayuki","Spin-Crossover Temperature Predictable from DFT Calculation for Iron(II) Complexes with 4-Substituted Pybox and Related Heteroaromatic Ligands.","ACS omega","2018","3","6","6737","6747","10.1021/acsomega.8b01095","","","0.71073","MoKα","","0.0481","0.0438","","","0.1016","0.1038","","","","","","1.104","","","","has coordinates,has disorder","226074","2020-10-21","18:00:00",""
"4516040","14.284","0.002","15.268","0.003","17.484","0.003","90","","90","","90","","3813.1","1.1","100","","100","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C34 H36 Cl2 Fe N8 O14 -","- C34 H36 Cl2 Fe N8 O14 -","- C136 H144 Cl8 Fe4 N32 O56 -","4","1","","Kimura, Akifumi; Ishida, Takayuki","Spin-Crossover Temperature Predictable from DFT Calculation for Iron(II) Complexes with 4-Substituted Pybox and Related Heteroaromatic Ligands.","ACS omega","2018","3","6","6737","6747","10.1021/acsomega.8b01095","","","0.71073","MoKα","","0.0659","0.0495","","","0.1163","0.1241","","","","","","1.044","","","","has coordinates","301843","2025-08-21","01:58:46",""
"4516041","10.4074","0.0003","8.6512","0.0003","18.1328","0.0006","90","","101.926","0.003","90","","1597.37","0.09","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C8 H12 F6 O6 Pt S2 -","- C8 H12 F6 O6 Pt S2 -","- C32 H48 F24 O24 Pt4 S8 -","4","1","","Mishra, Vishwesh; Thirupathi, Natesan","Critical Role of Anions in Platinum(II) Precursors upon the Structural Motifs of Six-Membered Cycloplatinated <i>N</i>,<i>N</i>',<i>N</i>″-Triarylguanidines.","ACS omega","2018","3","6","6075","6090","10.1021/acsomega.8b00782","","","0.71073","MoKα","","0.0211","0.0194","","","0.042","0.0427","","","","","","1.137","","","","has coordinates,has disorder","226075","2020-10-21","18:00:00",""
"4516042","17.013","0.0007","8.5689","0.0003","16.9747","0.0008","90","","105.959","0.005","90","","2379.24","0.18","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H24 F3 N3 O5 -","- C24 H24 F3 N3 O5 -","- C96 H96 F12 N12 O20 -","4","1","","Mishra, Vishwesh; Thirupathi, Natesan","Critical Role of Anions in Platinum(II) Precursors upon the Structural Motifs of Six-Membered Cycloplatinated <i>N</i>,<i>N</i>',<i>N</i>″-Triarylguanidines.","ACS omega","2018","3","6","6075","6090","10.1021/acsomega.8b00782","","","0.71073","MoKα","","0.0569","0.0519","","","0.1231","0.1264","","","","","","1.065","","","","has coordinates","226075","2020-10-21","18:00:00",""
"4516043","12.0242","0.0007","13.0156","0.0007","14.2406","0.001","91.582","0.005","102.85","0.005","102.152","0.005","2117.7","0.2","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C47 H49 Cl N6 O2 Pt -","- C47 H48 Cl N6 O2 Pt -","- C94 H96 Cl2 N12 O4 Pt2 -","2","1","","Mishra, Vishwesh; Thirupathi, Natesan","Critical Role of Anions in Platinum(II) Precursors upon the Structural Motifs of Six-Membered Cycloplatinated <i>N</i>,<i>N</i>',<i>N</i>″-Triarylguanidines.","ACS omega","2018","3","6","6075","6090","10.1021/acsomega.8b00782","","","0.71073","MoKα","","0.0414","0.0342","","","0.0792","0.0826","","","","","","1.059","","","","has coordinates","226075","2020-10-21","18:00:00",""
"4516044","12.8497","0.0003","13.011","0.0004","14.5696","0.0004","113.345","0.003","91.507","0.002","100.935","0.002","2181.88","0.12","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C46 H45 F3 N6 O2 Pt -","- C46 H42 F3 N6 O2 Pt -","- C92 H84 F6 N12 O4 Pt2 -","2","1","","Mishra, Vishwesh; Thirupathi, Natesan","Critical Role of Anions in Platinum(II) Precursors upon the Structural Motifs of Six-Membered Cycloplatinated <i>N</i>,<i>N</i>',<i>N</i>″-Triarylguanidines.","ACS omega","2018","3","6","6075","6090","10.1021/acsomega.8b00782","","","0.71073","MoKα","","0.0417","0.0323","","","0.0771","0.081","","","","","","1.05","","","","has coordinates,has disorder","226075","2020-10-21","18:00:00",""
"4516045","20.2522","0.0007","8.1634","0.0003","15.925","0.0005","90","","94.862","0.003","90","","2623.36","0.16","298","2","298","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C26 H28 F3 N3 O3 Pt S -","- C26 H28 F3 N3 O3 Pt S -","- C104 H112 F12 N12 O12 Pt4 S4 -","4","1","","Mishra, Vishwesh; Thirupathi, Natesan","Critical Role of Anions in Platinum(II) Precursors upon the Structural Motifs of Six-Membered Cycloplatinated <i>N</i>,<i>N</i>',<i>N</i>″-Triarylguanidines.","ACS omega","2018","3","6","6075","6090","10.1021/acsomega.8b00782","","","0.71073","MoKα","","0.0547","0.0491","","","0.0988","0.1011","","","","","","1.182","","","","has coordinates,has disorder","226075","2020-10-21","18:00:00",""
"4516046","20.8435","0.0006","7.8008","0.0002","34.8632","0.0011","90","","90","","90","","5668.6","0.3","298","2","298","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C26 H28 F3 N3 O6 Pt S -","- C26 H28 F3 N3 O6 Pt S -","- C208 H224 F24 N24 O48 Pt8 S8 -","8","1","","Mishra, Vishwesh; Thirupathi, Natesan","Critical Role of Anions in Platinum(II) Precursors upon the Structural Motifs of Six-Membered Cycloplatinated <i>N</i>,<i>N</i>',<i>N</i>″-Triarylguanidines.","ACS omega","2018","3","6","6075","6090","10.1021/acsomega.8b00782","","","0.71073","MoKα","","0.0658","0.0564","","","0.0933","0.0959","","","","","","1.31","","","","has coordinates","226075","2020-10-21","18:00:00",""
"4516047","11.2411","0.001","13.8079","0.0013","14.6138","0.0014","90.265","0.005","106.81","0.004","109.349","0.004","2036","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H46 Cl2 N6 Pt -","- C44 H46 Cl2 N6 Pt -","- C88 H92 Cl4 N12 Pt2 -","2","1","","Mishra, Vishwesh; Thirupathi, Natesan","Critical Role of Anions in Platinum(II) Precursors upon the Structural Motifs of Six-Membered Cycloplatinated <i>N</i>,<i>N</i>',<i>N</i>″-Triarylguanidines.","ACS omega","2018","3","6","6075","6090","10.1021/acsomega.8b00782","","","0.71073","MoKα","","0.0863","0.0569","","","0.1382","0.1574","","","","","","1.038","","","","has coordinates","226075","2020-10-21","18:00:00",""
"4516048","9.7792","0.0003","18.2967","0.0005","11.3037","0.0003","90","","98.915","0.003","90","","1998.1","0.1","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C44 H44 Cl2 N6 Pt2 -","- C44 H36 Cl2 N6 Pt2 -","- C88 H72 Cl4 N12 Pt4 -","2","0.5","","Mishra, Vishwesh; Thirupathi, Natesan","Critical Role of Anions in Platinum(II) Precursors upon the Structural Motifs of Six-Membered Cycloplatinated <i>N</i>,<i>N</i>',<i>N</i>″-Triarylguanidines.","ACS omega","2018","3","6","6075","6090","10.1021/acsomega.8b00782","","","0.71073","MoKα","","0.0431","0.0377","","","0.0853","0.0878","","","","","","1.189","","","","has coordinates","226075","2020-10-21","18:00:00",""
"4516049","11.4693","0.0003","15.1911","0.0003","16.1768","0.0003","99.025","0.001","105.146","0.002","106.101","0.002","2532.71","0.11","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C57 H64 Cl2 N6 Pt2 -","- C57 H52 Cl2 N6 Pt2 -","- C114 H104 Cl4 N12 Pt4 -","2","1","","Mishra, Vishwesh; Thirupathi, Natesan","Critical Role of Anions in Platinum(II) Precursors upon the Structural Motifs of Six-Membered Cycloplatinated <i>N</i>,<i>N</i>',<i>N</i>″-Triarylguanidines.","ACS omega","2018","3","6","6075","6090","10.1021/acsomega.8b00782","","","0.71073","MoKα","","0.052","0.034","","","0.0777","0.0861","","","","","","1.071","","","","has coordinates,has disorder","226075","2020-10-21","18:00:00",""
"4516050","12.3755","0.0004","18.4144","0.0005","22.6884","0.0007","90","","94.834","0.003","90","","5152","0.3","298","2","298","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C49 H46 Cl2 F6 N6 O4 Pt2 -","- C49 H40 Cl2 F6 N6 O4 Pt2 -","- C196 H160 Cl8 F24 N24 O16 Pt8 -","4","1","","Mishra, Vishwesh; Thirupathi, Natesan","Critical Role of Anions in Platinum(II) Precursors upon the Structural Motifs of Six-Membered Cycloplatinated <i>N</i>,<i>N</i>',<i>N</i>″-Triarylguanidines.","ACS omega","2018","3","6","6075","6090","10.1021/acsomega.8b00782","","","0.71073","MoKα","","0.0695","0.0463","","","0.0793","0.0876","","","","","","1.041","","","","has coordinates,has disorder","226075","2020-10-21","18:00:00",""
"4516051","20.463","0.002","8.8637","0.0009","14.0198","0.0014","90","","111.426","0.003","90","","2367.1","0.4","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C25 H19 N11 O4 -","- C25 H17 N11 O4 -","- C100 H68 N44 O16 -","4","0.5","","De, Avik; Mondal, Raju","Toxic Metal Sequestration Exploiting a Unprecedented Low-Molecular-Weight Hydrogel-to-Metallogel Transformation.","ACS omega","2018","3","6","6022","6030","10.1021/acsomega.8b00758","","","0.71073","MoKα","","0.1414","0.0591","","","0.1253","0.1614","","","","","","0.945","","","","has coordinates","226076","2020-10-21","18:00:00",""
"4516052","7.1699","0.0004","20.7822","0.001","12.9758","0.0007","90","","102.72","0.005","90","","1886.02","0.18","270","2","270","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C19 H14 Ag Cl N4 O4 -","- C19 H14 Ag Cl N4 O4 -","- C76 H56 Ag4 Cl4 N16 O16 -","4","1","","Santos, Ane F.; Ferreira, Isabella P.; Pinheiro, Carlos B.; Santos, Verlane G.; Lopes, Miriam T. P.; Teixeira, Letícia R; Rocha, Willian R.; Rodrigues, Gabriel L. S.; Beraldo, Heloisa","[Ag(L)NO<sub>3</sub>] Complexes with 2-Benzoylpyridine-Derived Hydrazones: Cytotoxic Activity and Interaction with Biomolecules.","ACS omega","2018","3","6","7027","7035","10.1021/acsomega.8b00533","","x-ray","0.71073","MoKα","","0.0644","0.0356","","","0.0722","0.0862","","","","","","1.046","","","","has coordinates","301843","2025-08-21","01:58:46",""
"4516053","12.3045","0.0005","14.5456","0.0007","21.5645","0.0008","90","","97.044","0.004","90","","3830.4","0.3","120","2","120","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C20 H17 Ag N4 O4 -","- C20 H17 Ag N4 O4 -","- C160 H136 Ag8 N32 O32 -","8","1","","Santos, Ane F.; Ferreira, Isabella P.; Pinheiro, Carlos B.; Santos, Verlane G.; Lopes, Miriam T. P.; Teixeira, Letícia R; Rocha, Willian R.; Rodrigues, Gabriel L. S.; Beraldo, Heloisa","[Ag(L)NO<sub>3</sub>] Complexes with 2-Benzoylpyridine-Derived Hydrazones: Cytotoxic Activity and Interaction with Biomolecules.","ACS omega","2018","3","6","7027","7035","10.1021/acsomega.8b00533","","x-ray","0.71073","MoKα","","0.0515","0.0337","","","0.0592","0.0648","","","","","","1.023","","","","has coordinates","301843","2025-08-21","01:58:46",""
"4516054","9.0545","0.0002","9.0558","0.0002","21.896","0.0005","90","","91.239","0.002","90","","1794.96","0.07","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H15 Ag N4 O4 -","- C19 H15 Ag N4 O4 -","- C76 H60 Ag4 N16 O16 -","4","1","","Santos, Ane F.; Ferreira, Isabella P.; Pinheiro, Carlos B.; Santos, Verlane G.; Lopes, Miriam T. P.; Teixeira, Letícia R; Rocha, Willian R.; Rodrigues, Gabriel L. S.; Beraldo, Heloisa","[Ag(L)NO<sub>3</sub>] Complexes with 2-Benzoylpyridine-Derived Hydrazones: Cytotoxic Activity and Interaction with Biomolecules.","ACS omega","2018","3","6","7027","7035","10.1021/acsomega.8b00533","","x-ray","0.71073","MoKα","","0.0458","0.0289","","","0.0501","0.0571","","","","","","1.096","","","","has coordinates","301843","2025-08-21","01:58:46",""
"4516055","10.275","0.002","9.5886","0.0018","14.718","0.003","90","","97.405","0.003","90","","1438","0.5","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H21 N O5 -","- C14 H21 N O5 -","- C56 H84 N4 O20 -","4","1","","Hu, Xing-Mei; Zhou, Bei; Yang, Chang-Long; Lin, Jun; Yan, Sheng-Jiao","Site-Selective Reaction of Enaminones and Enamine Esters for the Synthesis of Novel Diverse Morphan Derivatives.","ACS omega","2018","3","6","5994","6005","10.1021/acsomega.8b00726","","","0.71073","MoKα","","0.0746","0.045","","","0.1147","0.129","","","","","","1.035","","","","has coordinates","301843","2025-08-21","01:58:46",""
"4516056","11.496","","12.24","","13.457","","79.41","","67.16","","71.68","","1652.5","","100","2","100.15","","","","","","","","","5","P -1","-P 1","2","","","","- C29 H33 F N2 O6 -","- C29 H33 F N2 O6 -","- C58 H66 F2 N4 O12 -","2","1","","Hu, Xing-Mei; Zhou, Bei; Yang, Chang-Long; Lin, Jun; Yan, Sheng-Jiao","Site-Selective Reaction of Enaminones and Enamine Esters for the Synthesis of Novel Diverse Morphan Derivatives.","ACS omega","2018","3","6","5994","6005","10.1021/acsomega.8b00726","","","0.71073","MoKα","","0.0729","0.0472","","","0.1184","0.1286","","","","","","1.053","","","","has coordinates","301843","2025-08-21","01:58:46",""
"4516057","8.7813","0.0011","8.4703","0.0011","24.136","0.003","90","","93.158","0.002","90","","1792.5","0.4","297.15","","297.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H22 F3 N O5 -","- C16 H22 F3 N O5 -","- C64 H88 F12 N4 O20 -","4","1","","Hu, Xing-Mei; Zhou, Bei; Yang, Chang-Long; Lin, Jun; Yan, Sheng-Jiao","Site-Selective Reaction of Enaminones and Enamine Esters for the Synthesis of Novel Diverse Morphan Derivatives.","ACS omega","2018","3","6","5994","6005","10.1021/acsomega.8b00726","","","0.71073","MoKα","","0.1088","0.0587","","","0.1487","0.1776","","","","","","1.035","","","","has coordinates","301843","2025-08-21","01:58:46",""
"4516058","11.1233","0.0011","16.7726","0.0016","12.5093","0.0013","90","","114.965","0.002","90","","2115.8","0.4","297.15","","297.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H26 F N O4 -","- C25 H26 F N O4 -","- C100 H104 F4 N4 O16 -","4","1","","Hu, Xing-Mei; Zhou, Bei; Yang, Chang-Long; Lin, Jun; Yan, Sheng-Jiao","Site-Selective Reaction of Enaminones and Enamine Esters for the Synthesis of Novel Diverse Morphan Derivatives.","ACS omega","2018","3","6","5994","6005","10.1021/acsomega.8b00726","","","0.71073","MoKα","","0.0964","0.0486","","","0.1009","0.1223","","","","","","1.002","","","","has coordinates","301843","2025-08-21","01:58:46",""
"4516059","10.612","0.005","17.232","0.008","21.162","0.01","88.192","0.007","87.296","0.007","79.182","0.007","3796","3","100","2","100","2","","","","","","","synthesis","4","P 1","P 1","1","","Boc-(Val-Val-Aib)4-OMe.3MeOH","","- C63.5 H118 N12 O16.5 -","- C63.5 H118 N12 O16.5 -","- C127 H236 N24 O33 -","2","2","","Tsuji, Genichiro; Misawa, Takashi; Doi, Mitsunobu; Demizu, Yosuke","Extent of Helical Induction Caused by Introducing α-Aminoisobutyric Acid into an Oligovaline Sequence.","ACS omega","2018","3","6","6395","6399","10.1021/acsomega.8b01030","","","0.71073","MoKα","","0.145","0.0922","","","0.2264","0.2515","","","","","","1.007","","","","has coordinates","301843","2025-08-21","01:58:46",""
"4516060","13.572","0.004","9.116","0.002","21.854","0.006","90","","103.824","0.003","90","","2625.5","1.2","273","","273","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H36 Cl2 N Nb O3 -","- C24 H36 Cl2 N Nb O3 -","- C96 H144 Cl8 N4 Nb4 O12 -","4","1","","Srisupap, Natta; Wised, Kritdikul; Tsutsumi, Ken; Nomura, Kotohiro","Synthesis of (Arylmido)niobium(V) Complexes Containing Ketimide, Phenoxide Ligands, and Some Reactions with Phenols and Alcohols.","ACS omega","2018","3","6","6166","6181","10.1021/acsomega.8b01065","","","0.71075","MoKα","","","0.0246","","","","0.0585","","","","","","1.062","","","","has coordinates","226085","2020-10-21","18:00:00",""
"4516061","9.9108","0.0003","12.5655","0.0005","13.0149","0.0005","95.967","0.003","101.025","0.003","106.341","0.003","1505.05","0.1","93","","93","","","","","","","","","6","P -1","-P 1","2","","","","- C30 H32 Cl2 N Nb O3 -","- C30 H32 Cl2 N Nb O3 -","- C60 H64 Cl4 N2 Nb2 O6 -","2","1","","Srisupap, Natta; Wised, Kritdikul; Tsutsumi, Ken; Nomura, Kotohiro","Synthesis of (Arylmido)niobium(V) Complexes Containing Ketimide, Phenoxide Ligands, and Some Reactions with Phenols and Alcohols.","ACS omega","2018","3","6","6166","6181","10.1021/acsomega.8b01065","","","0.71075","MoKα","","0.033","0.0275","","","0.0702","0.0733","","","","","","1.013","","","","has coordinates","226085","2020-10-21","18:00:00",""
"4516062","15.469","0.003","10.6814","0.0019","24.897","0.004","90","","93.169","0.005","90","","4107.5","1.3","93","","93","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C39 H64 Cl2 N3 Nb O -","- C39 H64 Cl2 N3 Nb O -","- C156 H256 Cl8 N12 Nb4 O4 -","4","1","","Srisupap, Natta; Wised, Kritdikul; Tsutsumi, Ken; Nomura, Kotohiro","Synthesis of (Arylmido)niobium(V) Complexes Containing Ketimide, Phenoxide Ligands, and Some Reactions with Phenols and Alcohols.","ACS omega","2018","3","6","6166","6181","10.1021/acsomega.8b01065","","","0.71075","MoKα","","0.0769","0.0495","","","0.1186","0.1291","","","","","","1.103","","","","has coordinates","226085","2020-10-21","18:00:00",""
"4516063","12.5502","0.0004","14.0719","0.0005","23.5634","0.0009","89.366","0.003","88.443","0.003","75.219","0.003","4022.2","0.3","93","","93","","","","","","","","","5","P -1","-P 1","2","","","","- C40 H66 N3 Nb O -","- C40 H66 N3 Nb O -","- C160 H264 N12 Nb4 O4 -","4","2","","Srisupap, Natta; Wised, Kritdikul; Tsutsumi, Ken; Nomura, Kotohiro","Synthesis of (Arylmido)niobium(V) Complexes Containing Ketimide, Phenoxide Ligands, and Some Reactions with Phenols and Alcohols.","ACS omega","2018","3","6","6166","6181","10.1021/acsomega.8b01065","","","0.71073","MoKα","","0.1584","0.1366","","","0.3099","0.3184","","","","","","1.251","","","","has coordinates","251896","2020-10-21","18:00:00",""
"4516064","11.3778","0.0005","12.9307","0.0005","18.995","0.0006","86.879","0.003","81.525","0.003","77.672","0.003","2699.58","0.18","93","","93","","","","","","","","","6","P -1","-P 1","2","","","","- C45 H55 F15 N3 Nb O3 -","- C45 H55 F15 N3 Nb O3 -","- C90 H110 F30 N6 Nb2 O6 -","2","1","","Srisupap, Natta; Wised, Kritdikul; Tsutsumi, Ken; Nomura, Kotohiro","Synthesis of (Arylmido)niobium(V) Complexes Containing Ketimide, Phenoxide Ligands, and Some Reactions with Phenols and Alcohols.","ACS omega","2018","3","6","6166","6181","10.1021/acsomega.8b01065","","","0.71075","MoKα","","0.0723","0.0643","","","0.1972","0.2013","","","","","","1.043","","","","has coordinates,has disorder","301843","2025-08-21","01:58:46",""
"4516065","11.7181","0.0003","18.3197","0.0005","20.1982","0.0005","90","","91.823","0.002","90","","4333.79","0.19","93","","93","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C39 H64 F9 N4 Nb O -","- C39 H64 F9 N4 Nb O -","- C156 H256 F36 N16 Nb4 O4 -","4","1","","Srisupap, Natta; Wised, Kritdikul; Tsutsumi, Ken; Nomura, Kotohiro","Synthesis of (Arylmido)niobium(V) Complexes Containing Ketimide, Phenoxide Ligands, and Some Reactions with Phenols and Alcohols.","ACS omega","2018","3","6","6166","6181","10.1021/acsomega.8b01065","","","0.71073","MoKα","","0.0387","0.034","","","0.0862","0.089","","","","","","1.07","","","","has coordinates,has disorder","226085","2020-10-21","18:00:00",""
"4516066","17.905","0.003","12.0354","0.0015","19.691","0.003","90","","115.352","0.002","90","","3834.6","1","93","","93","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H48 F12 N3 Nb O2 -","- C32 H48 F12 N3 Nb O2 -","- C128 H192 F48 N12 Nb4 O8 -","4","1","","Srisupap, Natta; Wised, Kritdikul; Tsutsumi, Ken; Nomura, Kotohiro","Synthesis of (Arylmido)niobium(V) Complexes Containing Ketimide, Phenoxide Ligands, and Some Reactions with Phenols and Alcohols.","ACS omega","2018","3","6","6166","6181","10.1021/acsomega.8b01065","","","0.71075","MoKα","","0.0374","0.0313","","","0.0853","0.0946","","","","","","1","","","","has coordinates","226085","2020-10-21","18:00:00",""
"4516067","11.903","0.003","18.13","0.005","20.798","0.006","90","","104.299","0.005","90","","4349","2","93","","93","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C41 H64 F5 N4 Nb O -","- C41 H64 F5 N4 Nb O -","- C164 H256 F20 N16 Nb4 O4 -","4","1","","Srisupap, Natta; Wised, Kritdikul; Tsutsumi, Ken; Nomura, Kotohiro","Synthesis of (Arylmido)niobium(V) Complexes Containing Ketimide, Phenoxide Ligands, and Some Reactions with Phenols and Alcohols.","ACS omega","2018","3","6","6166","6181","10.1021/acsomega.8b01065","","","0.71075","MoKα","","0.1009","0.0736","","","0.1896","0.2163","","","","","","1.058","","","","has coordinates","226085","2020-10-21","18:00:00",""
"4516068","27.6738","0.0003","10.7124","0.0002","24.3659","0.0003","90","","94.188","0.001","90","","7204.05","0.18","180","2","180","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C72 H78 Al2 Er2 N6 O18 -","- C72 H78 Al2 Er2 N6 O18 -","- C288 H312 Al8 Er8 N24 O72 -","4","0.5","","Peng, Yan; Mereacre, Valeriu; Anson, Christopher E.; Powell, Annie K.","Butterfly M<sub>2</sub><sup>III</sup>Er<sub>2</sub> (M<sup>III</sup> = Fe and Al) SMMs: Synthesis, Characterization, and Magnetic Properties.","ACS omega","2018","3","6","6360","6368","10.1021/acsomega.8b00550","","x-ray","1.54184","CuKα","","0.0243","0.0216","","","0.0508","0.0526","","","","","","1.069","","","","has coordinates","226086","2020-10-21","18:00:00",""
"4516069","28.6269","0.0007","10.5683","0.0003","24.3695","0.0005","90","","94.926","0.002","90","","7345.5","0.3","180","2","180","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C72 H78 Er2 Fe2 N6 O18 -","- C72 H78 Er2 Fe2 N6 O18 -","- C288 H312 Er8 Fe8 N24 O72 -","4","0.5","","Peng, Yan; Mereacre, Valeriu; Anson, Christopher E.; Powell, Annie K.","Butterfly M<sub>2</sub><sup>III</sup>Er<sub>2</sub> (M<sup>III</sup> = Fe and Al) SMMs: Synthesis, Characterization, and Magnetic Properties.","ACS omega","2018","3","6","6360","6368","10.1021/acsomega.8b00550","","x-ray","0.71073","MoKα","","0.0307","0.0249","","","0.0476","0.0497","","","","","","1.066","","","","has coordinates","301843","2025-08-21","01:58:46",""
"4516070","15.0669","0.0004","12.2725","0.0003","15.5128","0.0004","90","","90.079","0.002","90","","2868.45","0.13","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H19 Br O Ti -","- C14 H19 Br O Ti -","- C112 H152 Br8 O8 Ti8 -","8","2","","Boyde, Nicholas C.; Steelman, Grant W.; Hanusa, Timothy P.","Multicomponent Mechanochemical Synthesis of Cyclopentadienyl Titanium <i>tert</i>-Butoxy Halides, Cp <sub> <i>x</i> </sub> TiX <sub> <i>y</i> </sub> (O <sup> <i>t</i> </sup> Bu)<sub>4-(<i>x</i>+<i>y</i>)</sub> (<i>x</i>, <i>y</i> = 1, 2; X = Cl, Br).","ACS omega","2018","3","7","8149","8159","10.1021/acsomega.8b00943","","x-ray","0.71073","MoKα","","0.0618","0.0485","","","0.1165","0.1285","","","","","","0.986","","","","has coordinates,has disorder","226088","2020-10-21","18:00:00",""
"4516071","15.01162","0.00013","11.84446","0.00011","15.51368","0.00015","90","","90","","90","","2758.4","0.04","100","","100","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H19 Cl O Ti -","- C14 H19 Cl O Ti -","- C112 H152 Cl8 O8 Ti8 -","8","1","","Boyde, Nicholas C.; Steelman, Grant W.; Hanusa, Timothy P.","Multicomponent Mechanochemical Synthesis of Cyclopentadienyl Titanium <i>tert</i>-Butoxy Halides, Cp <sub> <i>x</i> </sub> TiX <sub> <i>y</i> </sub> (O <sup> <i>t</i> </sup> Bu)<sub>4-(<i>x</i>+<i>y</i>)</sub> (<i>x</i>, <i>y</i> = 1, 2; X = Cl, Br).","ACS omega","2018","3","7","8149","8159","10.1021/acsomega.8b00943","","x-ray","1.54184","CuKα","","0.0241","0.0233","","","0.0593","0.0599","","","","","","1.05","","","","has coordinates","226089","2020-10-21","18:00:00",""
"4516072","12.9173","0.0002","16.12491","0.00019","12.6854","0.0002","90","","111.141","0.002","90","","2464.41","0.07","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H14 Br2 O Ti -","- C9 H14 Br2 O Ti -","- C72 H112 Br16 O8 Ti8 -","8","2","","Boyde, Nicholas C.; Steelman, Grant W.; Hanusa, Timothy P.","Multicomponent Mechanochemical Synthesis of Cyclopentadienyl Titanium <i>tert</i>-Butoxy Halides, Cp <sub> <i>x</i> </sub> TiX <sub> <i>y</i> </sub> (O <sup> <i>t</i> </sup> Bu)<sub>4-(<i>x</i>+<i>y</i>)</sub> (<i>x</i>, <i>y</i> = 1, 2; X = Cl, Br).","ACS omega","2018","3","7","8149","8159","10.1021/acsomega.8b00943","","x-ray","1.54184","CuKα","","0.0322","0.0312","","","0.0812","0.0824","","","","","","1.083","","","","has coordinates","226090","2020-10-21","18:00:00",""
"4516073","12.489","0.0003","11.4556","0.0002","14.6289","0.0003","90","","90","","90","","2092.94","0.08","100","","100","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C10.91 H12.73 Cl1.09 O0.91 Ti -","- C10.91 H12.73 Cl1.09 O0.91 Ti -","- C87.28 H101.84 Cl8.72 O7.28 Ti8 -","8","1","","Boyde, Nicholas C.; Steelman, Grant W.; Hanusa, Timothy P.","Multicomponent Mechanochemical Synthesis of Cyclopentadienyl Titanium <i>tert</i>-Butoxy Halides, Cp <sub> <i>x</i> </sub> TiX <sub> <i>y</i> </sub> (O <sup> <i>t</i> </sup> Bu)<sub>4-(<i>x</i>+<i>y</i>)</sub> (<i>x</i>, <i>y</i> = 1, 2; X = Cl, Br).","ACS omega","2018","3","7","8149","8159","10.1021/acsomega.8b00943","","x-ray","0.71073","MoKα","","0.0319","0.0266","","","0.0635","0.0659","","","","","","1.054","","","","has coordinates,has disorder","226091","2020-10-21","18:00:00",""
"4516074","7.9901","0.0004","17.6571","0.0009","7.9779","0.0004","90","","90.444","0.005","90","","1125.5","0.1","100","0.19","100","0.19","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H15 Cl O Ti -","- C12 H15 Cl O Ti -","- C48 H60 Cl4 O4 Ti4 -","4","1","","Boyde, Nicholas C.; Steelman, Grant W.; Hanusa, Timothy P.","Multicomponent Mechanochemical Synthesis of Cyclopentadienyl Titanium <i>tert</i>-Butoxy Halides, Cp <sub> <i>x</i> </sub> TiX <sub> <i>y</i> </sub> (O <sup> <i>t</i> </sup> Bu)<sub>4-(<i>x</i>+<i>y</i>)</sub> (<i>x</i>, <i>y</i> = 1, 2; X = Cl, Br).","ACS omega","2018","3","7","8149","8159","10.1021/acsomega.8b00943","","x-ray","1.54184","CuKα","","0.0482","0.0476","","","0.1298","0.1304","","","","","","1.161","","","","has coordinates","226092","2020-10-21","18:00:00",""
"4516075","13.089","0.0008","10.6775","0.0006","9.3276","0.0006","90","","90","","90","","1303.6","0.14","223","","223","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C13 H17 Cl O Ti -","- C13 H17 Cl O Ti -","- C52 H68 Cl4 O4 Ti4 -","4","0.5","","Boyde, Nicholas C.; Steelman, Grant W.; Hanusa, Timothy P.","Multicomponent Mechanochemical Synthesis of Cyclopentadienyl Titanium <i>tert</i>-Butoxy Halides, Cp <sub> <i>x</i> </sub> TiX <sub> <i>y</i> </sub> (O <sup> <i>t</i> </sup> Bu)<sub>4-(<i>x</i>+<i>y</i>)</sub> (<i>x</i>, <i>y</i> = 1, 2; X = Cl, Br).","ACS omega","2018","3","7","8149","8159","10.1021/acsomega.8b00943","","x-ray","0.71073","MoKα","","0.0713","0.0601","","","0.1394","0.1461","","","","","","1.154","","","","has coordinates,has disorder","226093","2020-10-21","18:00:00",""
"4516076","7.9674","0.0002","8.6081","0.0003","10.2555","0.0003","87.587","0.001","76.718","0.001","67.665","0.001","632.4","0.03","299","","299.25","","","","","","","","","5","P -1","-P 1","2","","","","- C16 H10 F N O2 -","- C16 H10 F N O2 -","- C32 H20 F2 N2 O4 -","2","1","","Saraiah, Bonagiri; Gautam, Vibha; Acharya, Anand; Pasha, Mohamed Afzal; Ila, Hiriyakkanavar","One-Pot Synthesis of 2-(Het)aryl/alkyl-3-cyanobenzofurans from 2-(2-Bromoaryl)-3-(het)aryl-3-(methylthio)acrylonitriles and Benzyl Carbamate.","ACS omega","2018","3","7","8355","8364","10.1021/acsomega.8b01172","","","0.71073","MoKα","","0.1023","0.0598","","","0.1402","0.1579","","","","","","1.037","","","","has coordinates","301843","2025-08-21","01:58:46",""
"4516077","13.7647","0.0003","13.7647","0.0003","20.651","0.0009","90","","90","","90","","3912.7","0.2","100","2","100","2","","","","","","","","3","I 41/a :2","-I 4ad","88","","","","- C10 H12 N4 -","- C10 H12 N4 -","- C160 H192 N64 -","16","1","","Yunusova, Sevilya N.; Bolotin, Dmitrii S.; Suslonov, Vitalii V.; Vovk, Mikhail A.; Tolstoy, Peter M.; Kukushkin, Vadim Yu","3-Dialkylamino-1,2,4-triazoles via Zn<sup>II</sup>-Catalyzed Acyl Hydrazide-Dialkylcyanamide Coupling.","ACS omega","2018","3","7","7224","7234","10.1021/acsomega.8b01047","","x-ray","1.54184","CuKα","","0.0495","0.0463","","","0.1272","0.132","","","","","","1.053","","","","has coordinates","301843","2025-08-21","01:58:46",""
"4516078","8.4665","0.0006","10.312","0.0007","11.9037","0.0006","100.24","0.005","103.121","0.005","103.246","0.006","955.83","0.12","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C10 H12 N4 -","- C10 H12 N4 -","- C40 H48 N16 -","4","2","","Yunusova, Sevilya N.; Bolotin, Dmitrii S.; Suslonov, Vitalii V.; Vovk, Mikhail A.; Tolstoy, Peter M.; Kukushkin, Vadim Yu","3-Dialkylamino-1,2,4-triazoles via Zn<sup>II</sup>-Catalyzed Acyl Hydrazide-Dialkylcyanamide Coupling.","ACS omega","2018","3","7","7224","7234","10.1021/acsomega.8b01047","","x-ray","1.54184","CuKα","","0.0865","0.0675","","","0.1599","0.1709","","","","","","1.033","","","","has coordinates","301843","2025-08-21","01:58:46",""
"4516079","13.8204","0.0017","7.1084","0.0007","24.264","0.004","90","","105.34","0.014","90","","2298.8","0.5","100","0.1","100","0.1","","","","","","","","5","I 1 2/c 1","-I 2yc","15","","","","- C10 H13 Cl N4 O -","- C10 H13 Cl N4 O -","- C80 H104 Cl8 N32 O8 -","8","1","","Yunusova, Sevilya N.; Bolotin, Dmitrii S.; Suslonov, Vitalii V.; Vovk, Mikhail A.; Tolstoy, Peter M.; Kukushkin, Vadim Yu","3-Dialkylamino-1,2,4-triazoles via Zn<sup>II</sup>-Catalyzed Acyl Hydrazide-Dialkylcyanamide Coupling.","ACS omega","2018","3","7","7224","7234","10.1021/acsomega.8b01047","","x-ray","0.71073","MoKα","","0.0578","0.0472","","","0.121","0.1304","","","","","","1.06","","","","has coordinates","301843","2025-08-21","01:58:46",""
"4516080","14.9349","0.0004","14.9349","0.0004","20.242","0.0006","90","","90","","90","","4515","0.2","200","2","200","2","","","","","","","","4","I 41/a :2","-I 4ad","88","","","","- C11 H14 N4 O -","- C11 H14 N4 O -","- C176 H224 N64 O16 -","16","1","","Yunusova, Sevilya N.; Bolotin, Dmitrii S.; Suslonov, Vitalii V.; Vovk, Mikhail A.; Tolstoy, Peter M.; Kukushkin, Vadim Yu","3-Dialkylamino-1,2,4-triazoles via Zn<sup>II</sup>-Catalyzed Acyl Hydrazide-Dialkylcyanamide Coupling.","ACS omega","2018","3","7","7224","7234","10.1021/acsomega.8b01047","","x-ray","1.54184","CuKα","","0.0634","0.0481","","","0.132","0.1477","","","","","","1.03","","","","has coordinates","301843","2025-08-21","01:58:46",""
"4516081","8.6523","0.0004","11.7604","0.0007","12.8395","0.0006","75.686","0.004","82.561","0.004","71.602","0.004","1199.33","0.11","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C12 H16 N4 -","- C12 H16 N4 -","- C48 H64 N16 -","4","2","","Yunusova, Sevilya N.; Bolotin, Dmitrii S.; Suslonov, Vitalii V.; Vovk, Mikhail A.; Tolstoy, Peter M.; Kukushkin, Vadim Yu","3-Dialkylamino-1,2,4-triazoles via Zn<sup>II</sup>-Catalyzed Acyl Hydrazide-Dialkylcyanamide Coupling.","ACS omega","2018","3","7","7224","7234","10.1021/acsomega.8b01047","","","0.71073","MoKα","","0.0657","0.0513","","","0.1277","0.1384","","","","","","1.022","","","","has coordinates","301843","2025-08-21","01:58:46",""
"4516082","14.81904","0.00015","14.81904","0.00015","20.4674","0.0004","90","","90","","90","","4494.72","0.11","100","2","100","2","","","","","","","","3","I 41/a :2","-I 4ad","88","","","","- C12 H14 N4 -","- C12 H14 N4 -","- C192 H224 N64 -","16","1","","Yunusova, Sevilya N.; Bolotin, Dmitrii S.; Suslonov, Vitalii V.; Vovk, Mikhail A.; Tolstoy, Peter M.; Kukushkin, Vadim Yu","3-Dialkylamino-1,2,4-triazoles via Zn<sup>II</sup>-Catalyzed Acyl Hydrazide-Dialkylcyanamide Coupling.","ACS omega","2018","3","7","7224","7234","10.1021/acsomega.8b01047","","x-ray","0.71073","MoKα","","0.0437","0.0382","","","0.0926","0.0975","","","","","","1.034","","","","has coordinates","301843","2025-08-21","01:58:46",""
"4516083","9.7088","0.0013","11.3662","0.0015","14.8567","0.0019","90","","97.069","0.002","90","","1627","0.4","150","2","150","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C22 H18 N2 -","- C22 H18 N2 -","- C88 H72 N8 -","4","1","","Salfeena, Chettiyan Thodi F.; Jalaja, Renjitha; Davis, Rincy; Suresh, Eringathodi; Somappa, Sasidhar B.","Synthesis of 1,2,4-Trisubstituted-(1<i>H</i>)-imidazoles through Cu(OTf)<sub>2</sub>-/I<sub>2</sub>-Catalyzed C-C Bond Cleavage of Chalcones and Benzylamines.","ACS omega","2018","3","7","8074","8082","10.1021/acsomega.8b01017","","","0.71073","MoKα","","0.0461","0.0386","","","0.0989","0.1026","","","","","","1.046","","","","has coordinates","301843","2025-08-21","01:58:46",""
"4516084","19.3428","0.0005","6.4501","0.0002","28.2467","0.0007","90","","90","","90","","3524.14","0.17","100","2","100","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C17 H16 O13 -","- C17 H12 O13 -","- C136 H96 O104 -","8","2","","Tokutomi, Hisashi; Takeda, Takashi; Hoshino, Norihisa; Akutagawa, Tomoyuki","Molecular Structure of the Photo-Oxidation Product of Ellagic Acid in Solution.","ACS omega","2018","3","9","11179","11183","10.1021/acsomega.8b01716","","","1.54187","CuKα","","0.1435","0.0898","","","0.2192","0.2584","","","","","","1.033","","","","has coordinates","226097","2020-10-21","18:00:00",""
"4516085","28.322","0.002","28.322","0.002","9.9011","0.001","90","","90","","120","","6878","1","295.15","","295","2","","","","","","","","7","R 3 :H","R 3","146","(pyridine)(acetonitrile)3-Ru(II)-phenyloxazoline","","","- C26.67 H27 F6 N5.33 O P Ru -","- C26.66 H26 F6 N5.33 O P Ru -","- C239.94 H234 F54 N47.97 O9 P9 Ru9 -","9","1","","Nakagawa, Yoko; Imokawa, Yusuke; Fujisawa, Ikuhide; Nakayama, Naofumi; Goto, Hitoshi; Chanthamath, Soda; Shibatomi, Kazutaka; Iwasa, Seiji","Ligand Exchange Reaction on a Ru(II)-Pheox Complex as a Mechanistic Study of Catalytic Reactions.","ACS omega","2018","3","9","11286","11289","10.1021/acsomega.8b01510","","x-ray","0.71069","MoKα","","0.0637","0.0534","","","0.1327","0.1438","","","","","","1.079","","","","has coordinates","226098","2020-10-21","18:00:00",""
"4516086","15.9559","0.0008","20.5495","0.0009","9.8687","0.0004","90","","105.489","0.003","90","","3118.3","0.2","293","2","293","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C38 H26 N2 O6 Zn -","- C38 H26 N2 O6 Zn -","- C152 H104 N8 O24 Zn4 -","4","2","","Dutta, Basudeb; Dey, Arka; Maity, Suvendu; Sinha, Chittaranjan; Ray, Partha Pratim; Mir, Mohammad Hedayetullah","Supramolecular Assembly of a Zn(II)-Based 1D Coordination Polymer through Hydrogen Bonding and π···π Interactions: Crystal Structure and Device Applications.","ACS omega","2018","3","9","12060","12067","10.1021/acsomega.8b01924","","","0.71073","MoKα","","0.115","0.0691","","","0.1574","0.1818","","","","","","1.033","","","","has coordinates","226099","2020-10-21","18:00:00",""
"4516087","6.79795","0.00018","9.9618","0.0003","12.8161","0.0004","90","","98.897","0.007","90","","857.46","0.05","90","","90","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H19 N3 O3 -","- C20 H19 N3 O3 -","- C40 H38 N6 O6 -","2","1","","Chennapuram, Madhu; Owolabi, Isiaka Alade; Seki, Chigusa; Okuyama, Yuko; Kwon, Eunsang; Uwai, Koji; Tokiwa, Michio; Takeshita, Mitsuhiro; Nakano, Hiroto","New Hybrid-type Squaramide-Fused Amino Alcohol Organocatalyst for Enantioselective Domino Michael Addition/Cyclization Reaction of Oxoindolines with Cyclic 1,3-Diketones.","ACS omega","2018","3","9","11718","11726","10.1021/acsomega.8b01271","","","1.54187","CuKα","","0.041","0.0409","","","0.109","0.1092","","","","","","1.036","","","","has coordinates","301843","2025-08-21","01:58:46",""
"4516088","12.6496","0.0017","9.9333","0.0013","19.755","0.003","90","","100.395","0.002","90","","2441.5","0.6","296.15","","296.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H15 N O2 -","- C14 H15 N O2 -","- C112 H120 N8 O16 -","8","2","","Bai, Hairui; Liu, Fujun; Wang, Xiaojing; Wang, Ping; Huang, Chao","Three-Component One-Pot Approach to Highly Efficient and Sustainable Synthesis of the Functionalized Quinolones via Linear/Branched Domino Protocols, Key Synthetic Methods for the Floxacin of Quinolone Drugs.","ACS omega","2018","3","9","11233","11251","10.1021/acsomega.8b01378","","","0.71073","MoKα","","0.1162","0.0539","","","0.114","0.1408","","","","","","1.009","","","","has coordinates","301843","2025-08-21","01:58:46",""
"4516089","20.1803","0.0008","6.2496","0.0003","17.1447","0.0008","90","","100.701","0.002","90","","2124.67","0.17","296","2","296","2","","","","","","","","5","C 1 2 1","C 2y","5","[Ni2(Hhissal)2(adi)(H2O)2].8H2O","","","- C32 H56 N6 Ni2 O20 -","- C32 H56 N6 Ni2 O20 -","- C64 H112 N12 Ni4 O40 -","2","0.5","","Kumar, Navnita; Khullar, Sadhika; Mandal, Sanjay K.","Encapsulation of a Water Octamer Chain in a Chiral 2D Sheetlike Supramolecular Coordination Network Composed of Dinickel-Dicarboxylate Subunits.","ACS omega","2018","3","9","11062","11070","10.1021/acsomega.8b01355","","","0.71073","MoKα","","0.051","0.0431","","","0.1181","0.1306","","","","","","1.029","","","","has coordinates","301843","2025-08-21","01:58:46",""
"4516090","14.2494","0.0006","15.1062","0.0007","17.1323","0.0007","90","","101.223","0.003","90","","3617.3","0.3","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H48 Cl2 O2 S2 Ti -","- C36 H48 Cl2 O2 S2 Ti -","- C144 H192 Cl8 O8 S8 Ti4 -","4","1","","Lapenta, Rosita; Buonerba, Antonio; Luciano, Ermanno; Della Monica, Francesco; De Nisi, Assunta; Monari, Magda; Grassi, Alfonso; Capacchione, Carmine; Milione, Stefano","Phenylene-Bridged OSSO-Type Titanium Complexes in the Polymerization of Ethylene and Propylene.","ACS omega","2018","3","9","11608","11616","10.1021/acsomega.8b01550","","","0.71073","MoKα","","0.1723","0.0581","","","0.083","0.1099","","","","","","1.109","","","","has coordinates","226103","2020-10-21","18:00:00",""
"4516091","19.755","0.005","13.633","0.004","24.145","0.007","90","","103.603","0.003","90","","6320","3","120","2","120","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C64 H40 Cl2 O12 P2 Re2 S4 -","- C64 H40 Cl2 O12 P2 Re2 S4 -","- C256 H160 Cl8 O48 P8 Re8 S16 -","4","1","","Procopio, Elsa Quartapelle; Dova, Davide; Cauteruccio, Silvia; Forni, Alessandra; Licandro, Emanuela; Panigati, Monica","Dirhenium Coordination Complex Endowed with an Intrinsically Chiral Helical-Shaped Diphosphine Oxide.","ACS omega","2018","3","9","11649","11654","10.1021/acsomega.8b01290","","","0.71073","MoKα","","0.0939","0.0564","","","0.1284","0.156","","","","","","1.155","","","","has coordinates","226104","2020-10-21","18:00:00",""
"4516092","25.524","0.005","13.835","0.003","9.914","0.002","90","","90","","90","","3500.9","1.2","100","","100","","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C21 H23 N3 O -","- C21 H23 N3 O -","- C168 H184 N24 O8 -","8","1","","Fanna, Daniel J.; Lima, Luís M P; Craze, Alexander R.; Trinchi, Adrian; Wuhrer, Richard; Lindoy, Leonard F.; Wei, Gang; Reynolds, Jason K.; Li, Feng","Ultrasensitive Colorimetric and Ratiometric Detection of Cu<sup>2+</sup>: Acid-Base Properties, Complexation, and Binding Studies.","ACS omega","2018","3","9","10471","10480","10.1021/acsomega.8b01483","","","0.71073","MoKα","","0.0644","0.053","","","0.1353","0.144","","","","","","1.035","","","","has coordinates","301843","2025-08-21","01:58:46",""
"4516093","6.898","0.0004","8.2874","0.0005","9.6802","0.0006","79.149","0.003","69.618","0.003","83.152","0.003","508.6","0.05","150","2","150","","","","","","","","","4","P -1","-P 1","2","","","","- C22 H30 N4 O2 -","- C22 H30 N4 O2 -","- C22 H30 N4 O2 -","1","0.5","","Ghosh, Milan; Ta, Sabyasachi; Banerjee, Mahuya; Das, Debasis","Metal-Ion Displacement Approach for Optical Recognition of Thorium: Application of a Molybdenum(VI) Complex for Nanomolar Determination and Enrichment of Th(IV).","ACS omega","2018","3","11","16089","16098","10.1021/acsomega.8b01901","","","0.71073","MoKα","","0.0418","0.0364","","","0.1023","0.1062","","","","","","1.07","","","","has coordinates","301843","2025-08-21","01:58:46",""
"4516094","12.6435","0.0009","12.8892","0.0009","13.5633","0.0009","65.757","0.003","76.834","0.003","81.409","0.004","1958.5","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C35 H51 Mo2 N6 O10 -","- C35 H51 Mo2 N6 O10 -","- C70 H102 Mo4 N12 O20 -","2","1","","Ghosh, Milan; Ta, Sabyasachi; Banerjee, Mahuya; Das, Debasis","Metal-Ion Displacement Approach for Optical Recognition of Thorium: Application of a Molybdenum(VI) Complex for Nanomolar Determination and Enrichment of Th(IV).","ACS omega","2018","3","11","16089","16098","10.1021/acsomega.8b01901","","","0.71073","MoKα","","0.0646","0.0456","","","0.1398","0.1619","","","","","","1.094","","","","has coordinates","226107","2020-10-21","18:00:00",""
"4516095","14.6664","0.0012","10.081","0.0006","40.221","0.002","90","","97.759","0.007","90","","5892.3","0.7","293","2","293","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C34 H29 I N O4 -","- C35 H30 I N O3 -","- C280 H240 I8 N8 O24 -","8","1","","Yaragorla, Srinivasarao; Bag, Debojyoti; Dada, Ravikrishna; Jose, K. V. Jovan","Iodo-Cycloisomerization of Aryl(indol-3-yl)methane-Tethered Propargyl Alcohols to 3-Iodocarbazoles via Selective 1,2-Alkyl Migration.","ACS omega","2018","3","11","15024","15034","10.1021/acsomega.8b02393","","","1.54184","CuKα","","0.0664","0.049","","","0.1282","0.1439","","","","","","1.026","","","","has coordinates","226108","2020-10-21","18:00:00",""
"4516096","15.8788","0.0008","9.357","0.0004","21.2905","0.0009","90","","92.12","0.004","90","","3161.1","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H27 I N2 O -","- C36 H27 I N2 O -","- C144 H108 I4 N8 O4 -","4","1","","Yaragorla, Srinivasarao; Bag, Debojyoti; Dada, Ravikrishna; Jose, K. V. Jovan","Iodo-Cycloisomerization of Aryl(indol-3-yl)methane-Tethered Propargyl Alcohols to 3-Iodocarbazoles via Selective 1,2-Alkyl Migration.","ACS omega","2018","3","11","15024","15034","10.1021/acsomega.8b02393","","","1.54184","CuKα","","0.1362","0.0746","","","0.1787","0.2304","","","","","","0.995","","","","has coordinates","301843","2025-08-21","01:58:46",""
"4516097","11.5071","0.0018","38.741","0.005","9.4077","0.0014","90","","113.662","0.006","90","","3841.3","1","299","2","299","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C48 H37 I N2 O2 -","- C48 H37 I N2 O2 -","- C192 H148 I4 N8 O8 -","4","1","","Yaragorla, Srinivasarao; Bag, Debojyoti; Dada, Ravikrishna; Jose, K. V. Jovan","Iodo-Cycloisomerization of Aryl(indol-3-yl)methane-Tethered Propargyl Alcohols to 3-Iodocarbazoles via Selective 1,2-Alkyl Migration.","ACS omega","2018","3","11","15024","15034","10.1021/acsomega.8b02393","","","0.71073","MoKα","","0.0556","0.0409","","","0.0914","0.0976","","","","","","0.992","","","","has coordinates","301843","2025-08-21","01:58:46",""
"4516098","10.653","0.0005","19.224","0.0008","17.802","0.0008","90","","93.951","0.002","90","","3637.1","0.3","173","2","173","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C67 H82 B2 Cl4 F8 N4 O4 Ru2 -","- C67 H82 B2 Cl4 F8 N4 O4 Ru2 -","- C134 H164 B4 Cl8 F16 N8 O8 Ru4 -","2","0.5","","César, Vincent; Mallardo, Valentina; Nano, Adela; DePeter, Sadie F.; Bastin, Stéphanie; Sournia-Saquet, Alix; Maisse-François, Aline; Lugan, Noël; Bellemin-Laponnaz, Stéphane","Homo- and Heteropolymetallic Complexes of the Hybrid, Ambidentate N-Heterocyclic Carbene Ligand IMes-acac.","ACS omega","2018","3","11","15582","15591","10.1021/acsomega.8b02268","","x-ray","0.71073","MoKα","","0.0494","0.0454","","","0.1279","0.1322","","","","","","1.161","","","","has coordinates,has disorder","226111","2020-10-21","18:00:00",""
"4516099","8.029","0.005","8.869","0.005","12.091","0.007","68.492","0.009","84.217","0.009","74.128","0.01","770.5","0.8","296","2","296.15","","","","","","","","","4","P -1","-P 1","2","","","","- Cs2 Hg2 Sb2 Se6 -","- Cs2 Hg2 Sb2 Se6 -","- Cs4 Hg4 Sb4 Se12 -","2","1","","Du, Cui-Xia; Qi, Fei-Yan; Chen, Juan; Baiyin, Menghe","Two Mercury Antimony Chalcogenides Cs<sub>2</sub>HgSb<sub>4</sub>S<sub>8</sub> and Cs<sub>2</sub>Hg<sub>2</sub>Sb<sub>2</sub>Se<sub>6</sub> with Cesium Cations as Counterions.","ACS omega","2018","3","11","15168","15173","10.1021/acsomega.8b02059","","","0.71073","MoKα","","0.1921","0.1082","","","0.3217","0.3627","","","","","","0.999","","","","has coordinates","226112","2020-10-21","18:00:00",""
"4516100","7.3196","0.0019","10.6224","0.0006","11.7739","0.0014","99.51","0.02","92.06","0.02","92.1","0.02","901.4","0.3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- Cs2 Hg S8 Sb4 -","- Cs2 Hg S8 Sb4 -","- Cs4 Hg2 S16 Sb8 -","2","1","","Du, Cui-Xia; Qi, Fei-Yan; Chen, Juan; Baiyin, Menghe","Two Mercury Antimony Chalcogenides Cs<sub>2</sub>HgSb<sub>4</sub>S<sub>8</sub> and Cs<sub>2</sub>Hg<sub>2</sub>Sb<sub>2</sub>Se<sub>6</sub> with Cesium Cations as Counterions.","ACS omega","2018","3","11","15168","15173","10.1021/acsomega.8b02059","","","0.71073","MoKα","","0.0857","0.0622","","","0.1435","0.1533","","","","","","1.144","","","","has coordinates","226114","2020-10-21","18:00:00",""
"4516101","7.3196","0.0019","10.6224","0.0006","11.7739","0.0014","99.51","0.02","92.06","0.02","92.1","0.02","901.4","0.3","296","2","296.15","","","","","","","","","8","P -1","-P 1","2","","","","- C0 H0 Cs2 Hg N0 O0 S8 Sb4 -","- Cs2 Hg S8 Sb4 -","- Cs4 Hg2 S16 Sb8 -","2","1","","Du, Cui-Xia; Qi, Fei-Yan; Chen, Juan; Baiyin, Menghe","Two Mercury Antimony Chalcogenides Cs<sub>2</sub>HgSb<sub>4</sub>S<sub>8</sub> and Cs<sub>2</sub>Hg<sub>2</sub>Sb<sub>2</sub>Se<sub>6</sub> with Cesium Cations as Counterions.","ACS omega","2018","3","11","15168","15173","10.1021/acsomega.8b02059","","","0.71073","MoKα","","0.086","0.0626","","","0.1594","0.1731","","","","","","1.046","","","","has coordinates","226115","2020-10-21","18:00:00",""
"4516102","8.029","0.005","8.869","0.005","12.091","0.007","68.492","0.009","84.217","0.009","74.128","0.01","770.5","0.8","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- Cs2 Hg2 Sb2 Se6 -","- Cs2 Hg2 Sb2 Se6 -","- Cs4 Hg4 Sb4 Se12 -","2","1","","Du, Cui-Xia; Qi, Fei-Yan; Chen, Juan; Baiyin, Menghe","Two Mercury Antimony Chalcogenides Cs<sub>2</sub>HgSb<sub>4</sub>S<sub>8</sub> and Cs<sub>2</sub>Hg<sub>2</sub>Sb<sub>2</sub>Se<sub>6</sub> with Cesium Cations as Counterions.","ACS omega","2018","3","11","15168","15173","10.1021/acsomega.8b02059","","","0.71073","MoKα","","0.1928","0.1042","","","0.214","0.2323","","","","","","1.233","","","","has coordinates","226116","2020-10-21","18:00:00",""
"4516103","11.9267","0.0015","15.095","0.002","17.872","0.002","108.373","0.002","105.652","0.002","101.258","0.002","2798.6","0.6","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C46 H46 Cl6 S8 Si4 -","- C46 H46 Cl6 S8 Si4 -","- C92 H92 Cl12 S16 Si8 -","2","1","","Li, Bingbing; Zhang, Sheng; Li, Lu; Ma, Zhiying; Li, Chunli; Xu, Li; Wang, Hua","All-Thiophene-Based Double Helix: Synthesis, Crystal Structure, Chiroptical Property and Arylation.","ACS omega","2018","3","11","16014","16020","10.1021/acsomega.8b02492","","","0.71073","MoKα","","0.0855","0.0658","","","0.1598","0.1708","","","","","","1.079","","","","has coordinates","301843","2025-08-21","01:58:46",""
"4516104","8.804","0.0004","14.0866","0.0007","11.5559","0.0006","90","","111.296","0.001","90","","1335.28","0.11","100","2","100","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C15 H18 Cu3 I6 N3 -","- C15 H18 Cu3 I6 N3 -","- C30 H36 Cu6 I12 N6 -","2","0.5","","Wheaton, Amelia M.; Streep, Michaela E.; Ohlhaver, Christopher M.; Nicholas, Aaron D.; Barnes, Francis H.; Patterson, Howard H.; Pike, Robert D.","Alkyl Pyridinium Iodocuprate(I) Clusters: Structural Types and Charge Transfer Behavior.","ACS omega","2018","3","11","15281","15292","10.1021/acsomega.8b01986","","","0.71073","MoKα","","0.029","0.0225","","","0.0454","0.0478","","","","","","1.042","","","","has coordinates","226118","2020-10-21","18:00:00",""
"4516105","13.9901","0.001","10.819","0.0008","24.0532","0.0017","90","","99.243","0.001","90","","3593.4","0.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H27 Cu6 I8 N3 -","- C18 H27 Cu6 I8 N3 -","- C72 H108 Cu24 I32 N12 -","4","1","","Wheaton, Amelia M.; Streep, Michaela E.; Ohlhaver, Christopher M.; Nicholas, Aaron D.; Barnes, Francis H.; Patterson, Howard H.; Pike, Robert D.","Alkyl Pyridinium Iodocuprate(I) Clusters: Structural Types and Charge Transfer Behavior.","ACS omega","2018","3","11","15281","15292","10.1021/acsomega.8b01986","","","0.71073","MoKα","","0.0436","0.0356","","","0.0853","0.0886","","","","","","1.151","","","","has coordinates,has disorder","226118","2020-10-21","18:00:00",""
"4516106","10.455","0.0003","26.2454","0.0008","23.854","0.0007","90","","97.093","0.002","90","","6495.3","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H56 Cu10 I14 N4 -","- C36 H56 Cu10 I14 N4 -","- C144 H224 Cu40 I56 N16 -","4","1","","Wheaton, Amelia M.; Streep, Michaela E.; Ohlhaver, Christopher M.; Nicholas, Aaron D.; Barnes, Francis H.; Patterson, Howard H.; Pike, Robert D.","Alkyl Pyridinium Iodocuprate(I) Clusters: Structural Types and Charge Transfer Behavior.","ACS omega","2018","3","11","15281","15292","10.1021/acsomega.8b01986","","","1.54178","CuKα","","0.0372","0.0336","","","0.0892","0.0913","","","","","","1.007","","","","has coordinates","226118","2020-10-21","18:00:00",""
"4516107","33.6214","0.0015","10.7706","0.0005","25.1921","0.0012","90","","124.618","0.001","90","","7507.5","0.6","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C46 H75 Cu10 I14 N5 -","- C46 H75 Cu10 I14 N5 -","- C184 H300 Cu40 I56 N20 -","4","0.5","","Wheaton, Amelia M.; Streep, Michaela E.; Ohlhaver, Christopher M.; Nicholas, Aaron D.; Barnes, Francis H.; Patterson, Howard H.; Pike, Robert D.","Alkyl Pyridinium Iodocuprate(I) Clusters: Structural Types and Charge Transfer Behavior.","ACS omega","2018","3","11","15281","15292","10.1021/acsomega.8b01986","","","0.71073","MoKα","","0.0436","0.0342","","","0.0876","0.0937","","","","","","1.038","","","","has coordinates,has disorder","226118","2020-10-21","18:00:00",""
"4516108","14.4604","0.001","10.8225","0.0007","25.1937","0.0017","90","","106.194","0.001","90","","3786.3","0.4","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H29 Cl2 Cu5 I7 N3 -","- C20 H29 Cl2 Cu5 I7 N3 -","- C80 H116 Cl8 Cu20 I28 N12 -","4","1","","Wheaton, Amelia M.; Streep, Michaela E.; Ohlhaver, Christopher M.; Nicholas, Aaron D.; Barnes, Francis H.; Patterson, Howard H.; Pike, Robert D.","Alkyl Pyridinium Iodocuprate(I) Clusters: Structural Types and Charge Transfer Behavior.","ACS omega","2018","3","11","15281","15292","10.1021/acsomega.8b01986","","","0.71073","MoKα","","0.0322","0.0284","","","0.0668","0.0684","","","","","","1.034","","","","has coordinates","226118","2020-10-21","18:00:00",""
"4516109","28.346","0.003","11.4404","0.0012","24.058","0.002","90","","106.029","0.002","90","","7498.4","1.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H29 Br2 Cu5 I7 N3 -","- C20 H29 Br2 Cu5 I7 N3 -","- C160 H232 Br16 Cu40 I56 N24 -","8","2","","Wheaton, Amelia M.; Streep, Michaela E.; Ohlhaver, Christopher M.; Nicholas, Aaron D.; Barnes, Francis H.; Patterson, Howard H.; Pike, Robert D.","Alkyl Pyridinium Iodocuprate(I) Clusters: Structural Types and Charge Transfer Behavior.","ACS omega","2018","3","11","15281","15292","10.1021/acsomega.8b01986","","","0.71073","MoKα","","0.0292","0.0248","","","0.0506","0.0517","","","","","","1.198","","","","has coordinates,has disorder","226118","2020-10-21","18:00:00",""
"4516110","9.1888","0.0004","11.3217","0.0005","16.2778","0.0007","73.591","0.001","77.461","0.001","87.998","0.001","1585.08","0.12","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H26 Cu3 I7 N2 -","- C18 H26 Cu3 I7 N2 -","- C36 H52 Cu6 I14 N4 -","2","1","","Wheaton, Amelia M.; Streep, Michaela E.; Ohlhaver, Christopher M.; Nicholas, Aaron D.; Barnes, Francis H.; Patterson, Howard H.; Pike, Robert D.","Alkyl Pyridinium Iodocuprate(I) Clusters: Structural Types and Charge Transfer Behavior.","ACS omega","2018","3","11","15281","15292","10.1021/acsomega.8b01986","","","0.71073","MoKα","","0.0159","0.0148","","","0.0366","0.0371","","","","","","1.082","","","","has coordinates,has disorder","226118","2020-10-21","18:00:00",""
"4516111","14.1523","0.0014","10.6793","0.0011","25.264","0.003","90","","104.984","0.002","90","","3688.5","0.7","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H29 Cu5 I7 N5 -","- C22 H29 Cu5 I7 N5 -","- C88 H116 Cu20 I28 N20 -","4","1","","Wheaton, Amelia M.; Streep, Michaela E.; Ohlhaver, Christopher M.; Nicholas, Aaron D.; Barnes, Francis H.; Patterson, Howard H.; Pike, Robert D.","Alkyl Pyridinium Iodocuprate(I) Clusters: Structural Types and Charge Transfer Behavior.","ACS omega","2018","3","11","15281","15292","10.1021/acsomega.8b01986","","","0.71073","MoKα","","0.0256","0.0242","","","0.0522","0.0526","","","","","","1.264","","","","has coordinates","226118","2020-10-21","18:00:00",""
"4516112","36.7069","0.0009","10.6697","0.0003","24.9824","0.0006","90","","129.192","0.001","90","","7583.2","0.4","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C21 H33.5 Cu5 I7 N2.5 O2 -","- C21 H33.5 Cu5 I7 N2.5 O2 -","- C168 H268 Cu40 I56 N20 O16 -","8","1","","Wheaton, Amelia M.; Streep, Michaela E.; Ohlhaver, Christopher M.; Nicholas, Aaron D.; Barnes, Francis H.; Patterson, Howard H.; Pike, Robert D.","Alkyl Pyridinium Iodocuprate(I) Clusters: Structural Types and Charge Transfer Behavior.","ACS omega","2018","3","11","15281","15292","10.1021/acsomega.8b01986","","","1.54178","CuKα","","0.04","0.0356","","","0.0878","0.0907","","","","","","1.023","","","","has coordinates,has disorder","226118","2020-10-21","18:00:00",""
"4516113","9.14864","0.00016","11.5032","0.0002","15.6073","0.0003","72.6495","0.0016","81.6726","0.0015","72.6336","0.0016","1493.48","0.05","200","0.14","200","0.14","","","","","","","","6","P -1","-P 1","2","","","","- C34 H28 Br2 Cl N3 Pd -","- C34 H28 Br2 Cl N3 Pd -","- C68 H56 Br4 Cl2 N6 Pd2 -","2","1","","Mollar-Cuni, Andrés; Ventura-Espinosa, David; Martín, Santiago; Mayoral, Álvaro; Borja, Pilar; Mata, Jose A.","Stabilization of Nanoparticles Produced by Hydrogenation of Palladium-N-Heterocyclic Carbene Complexes on the Surface of Graphene and Implications in Catalysis.","ACS omega","2018","3","11","15217","15228","10.1021/acsomega.8b02193","","x-ray","0.71073","MoKα","","0.0335","0.0268","","","0.0654","0.07","","","","","","1.051","","","","has coordinates","226119","2020-10-21","18:00:00",""
"4516114","12.8106","0.0004","12.8106","0.0004","30.5131","0.001","90","","90","","90","","5007.5","0.3","100","2","100","2","","","","","","","","7","I 41/a :2","-I 4ad","88","","","","- C48 H40 Co F12 N8 O8 P2 -","- C48 H40 Co F12 N8 O8 P2 -","- C192 H160 Co4 F48 N32 O32 P8 -","4","0.25","","Emhoff, Kylin A.; Balaraman, Lakshmi; Simpson, Sydney R.; Stromyer, Michael L.; Kalil, Haitham F.; Beemiller, James R.; Sikatzki, Philipp; Eshelman, Teya S.; Salem, Ahmed M. H.; DeBord, Michael A.; Panzner, Matthew J.; Youngs, Wiley J.; Boyd, W. Christopher","Synthesis and Characterization of Cobalt(II) <i>N</i>,<i>N</i>'-Diphenylazodioxide Complexes.","ACS omega","2018","3","11","16021","16027","10.1021/acsomega.8b01200","","","0.71073","MoKα","","0.037","0.0295","","","0.0647","0.0688","","","","","","1.053","","","","has coordinates","226120","2020-10-21","18:00:00",""
"4516115","28.0797","0.0009","13.4393","0.0004","25.3112","0.0008","90","","103.746","0.002","90","","9278.2","0.5","100","2","100","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C35 H30 Cl2 Co F12 N6 O4 P2 -","- C35 H30 Cl2 Co F12 N6 O4 P2 -","- C280 H240 Cl16 Co8 F96 N48 O32 P16 -","8","1","","Emhoff, Kylin A.; Balaraman, Lakshmi; Simpson, Sydney R.; Stromyer, Michael L.; Kalil, Haitham F.; Beemiller, James R.; Sikatzki, Philipp; Eshelman, Teya S.; Salem, Ahmed M. H.; DeBord, Michael A.; Panzner, Matthew J.; Youngs, Wiley J.; Boyd, W. Christopher","Synthesis and Characterization of Cobalt(II) <i>N</i>,<i>N</i>'-Diphenylazodioxide Complexes.","ACS omega","2018","3","11","16021","16027","10.1021/acsomega.8b01200","","","0.71073","MoKα","","0.1171","0.0775","","","0.2463","0.2832","","","","","","1.006","","","","has coordinates","226121","2020-10-21","18:00:00",""
"4516116","7.5725","0.0006","11.9171","0.0008","24.932","0.002","90","","90","","90","","2249.9","0.3","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C22 H18 Mn N4 O10 -","- C22 H14 Mn N4 O10 -","- C88 H56 Mn4 N16 O40 -","4","0.5","","Roy, Manasi; Adhikary, Amit; Mondal, Amit Kumar; Mondal, Raju","Multifunctional Properties of a 1D Helical Co(II) Coordination Polymer: Toward Single-Ion Magnetic Behavior and Efficient Dye Degradation.","ACS omega","2018","3","11","15315","15324","10.1021/acsomega.8b02212","","","0.71073","MoKα","","0.0604","0.0593","","","0.217","0.22","","","","","","1.056","","","","has coordinates","226122","2020-10-21","18:00:00",""
"4516117","7.4271","0.0015","11.953","0.003","24.759","0.004","90","","90","","90","","2198","0.8","106","2","106","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C22 H18 Co N4 O10 -","- C22 H14 Co N4 O10 -","- C88 H56 Co4 N16 O40 -","4","0.5","","Roy, Manasi; Adhikary, Amit; Mondal, Amit Kumar; Mondal, Raju","Multifunctional Properties of a 1D Helical Co(II) Coordination Polymer: Toward Single-Ion Magnetic Behavior and Efficient Dye Degradation.","ACS omega","2018","3","11","15315","15324","10.1021/acsomega.8b02212","","","0.71073","MoKα","","0.1639","0.0663","","","0.1668","0.252","","","","","","1.061","","","","has coordinates","226123","2020-10-21","18:00:00",""
"4516118","10.0616","0.0005","10.8559","0.0006","26.2066","0.0015","90","","97.322","0.002","90","","2839.1","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C55 H47 Co2 N10 O10 -","- C55 H47 Co2 N10 O10 -","- C110 H94 Co4 N20 O20 -","2","0.5","","Roy, Manasi; Adhikary, Amit; Mondal, Amit Kumar; Mondal, Raju","Multifunctional Properties of a 1D Helical Co(II) Coordination Polymer: Toward Single-Ion Magnetic Behavior and Efficient Dye Degradation.","ACS omega","2018","3","11","15315","15324","10.1021/acsomega.8b02212","","","0.71073","MoKα","","0.1245","0.0699","","","0.1859","0.2333","","","","","","1.101","","","","has coordinates","226124","2020-10-21","18:00:00",""
"4516119","8.9867","0.0015","9.0117","0.0015","14.865","0.003","99.135","0.003","106.863","0.004","90.159","0.003","1136","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H27 N O -","- C30 H27 N O -","- C60 H54 N2 O2 -","2","1","","Chen, Jianfeng; Tian, Jiaxin; Liu, Feng; Liu, Yong; Zhao, Guoqing; Yuan, Weicheng; Zhao, Baoguo","Intramolecular Umpolung Synthesis of Exocyclic β-Amino Alcohols through Decarboxylative Amination.","ACS omega","2018","3","11","14671","14679","10.1021/acsomega.8b02324","","","0.71073","MoKα","","0.067","0.0475","","","0.1221","0.1346","","","","","","1.04","","","","has coordinates","301843","2025-08-21","01:58:46",""
"4516120","4.6994","0.0003","11.1712","0.0006","25.7495","0.0017","90","","90","","90","","1351.8","0.14","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H14 Cl N O2 -","- C16 H14 Cl N O2 -","- C64 H56 Cl4 N4 O8 -","4","1","","Chen, Jianfeng; Tian, Jiaxin; Liu, Feng; Liu, Yong; Zhao, Guoqing; Yuan, Weicheng; Zhao, Baoguo","Intramolecular Umpolung Synthesis of Exocyclic β-Amino Alcohols through Decarboxylative Amination.","ACS omega","2018","3","11","14671","14679","10.1021/acsomega.8b02324","","","0.71073","MoKα","","0.0436","0.0381","","","0.0921","0.0965","","","","","","1.066","","","","has coordinates","301843","2025-08-21","01:58:46",""
"4516121","14.1735","0.0005","14.6182","0.0005","17.4983","0.0005","110.609","0.001","92.046","0.002","100.845","0.002","3312.32","0.19","100","2","100","2","","","","","","","","10","P 1","P 1","1","A-rxn1 - 2016AN001ANP01","","","- C55 H54 B Br Cl9 F4 N5 O9 P2 Pd -","- C55 H54 B Br Cl9 F4 N5 O9 P2 Pd -","- C110 H108 B2 Br2 Cl18 F8 N10 O18 P4 Pd2 -","2","2","","Leitão, Maria Inês P S; Herrera, Federico; Petronilho, Ana","N-Heterocyclic Carbenes Derived from Guanosine: Synthesis and Evidences of Their Antiproliferative Activity.","ACS omega","2018","3","11","15653","15656","10.1021/acsomega.8b02387","","","0.71073","MoKα","","0.0759","0.0485","","","0.1092","0.1211","","","","","","1.029","","","","has coordinates,has disorder","226127","2020-10-21","18:00:00",""
"4516122","16.9414","0.0006","17.1524","0.0006","17.6605","0.0005","90","","109.597","0.002","90","","4834.6","0.3","296","2","296","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C15 H12 N2 -","- C15 H12 N2 -","- C240 H192 N32 -","16","2","","Mohamady, Samy; Kralt, Braden; Samwel, Shery K.; Taylor, Scott D.","Efficient One-Pot, Two-Component Modular Synthesis of 3,5-Disubstituted Pyrazoles.","ACS omega","2018","3","11","15566","15574","10.1021/acsomega.8b02304","","","0.71073","MoKα","","0.1472","0.0524","","","0.0773","0.091","","","","","","1.011","","","","has coordinates","226128","2020-10-21","18:00:00",""
"4516123","15.6529","0.0009","9.5364","0.0006","23.3615","0.0014","90","","90","","90","","3487.2","0.4","273","2","273","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C22 H18 N2 O3 -","- C22 H18 N2 O3 -","- C176 H144 N16 O24 -","8","1","","Cai, Panyuan; Zhang, Enshen; Wu, Yinsong; Fang, Taibei; Li, Qianqian; Yang, Chen; Wang, Jian; Shang, Yongjia","Ru(II)/Ir(III)-Catalyzed C-H Bond Activation/Annulation of Cyclic Amides with 1,3-Diketone-2-diazo Compounds: Facile Access to 8<i>H</i>-Isoquinolino[1,2-<i>b</i>]quinazolin-8-ones and Phthalazino[2,3-<i>a</i>]cinnoline-8,13-diones.","ACS omega","2018","3","11","14575","14584","10.1021/acsomega.8b01930","","","0.71073","MoKα","","0.1055","0.0798","","","0.2569","0.2848","","","","","","1.092","","","","has coordinates","301843","2025-08-21","01:58:46",""
"4516124","16.3607","0.0005","8.454","0.0003","22.5078","0.0007","90","","90","","90","","3113.13","0.18","273","2","273","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C21 H16 N2 O2 -","- C21 H16 N2 O2 -","- C168 H128 N16 O16 -","8","1","","Cai, Panyuan; Zhang, Enshen; Wu, Yinsong; Fang, Taibei; Li, Qianqian; Yang, Chen; Wang, Jian; Shang, Yongjia","Ru(II)/Ir(III)-Catalyzed C-H Bond Activation/Annulation of Cyclic Amides with 1,3-Diketone-2-diazo Compounds: Facile Access to 8<i>H</i>-Isoquinolino[1,2-<i>b</i>]quinazolin-8-ones and Phthalazino[2,3-<i>a</i>]cinnoline-8,13-diones.","ACS omega","2018","3","11","14575","14584","10.1021/acsomega.8b01930","","","0.71073","MoKα","","0.1413","0.0628","","","0.1456","0.192","","","","","","1.021","","","","has coordinates","301843","2025-08-21","01:58:46",""
"4516125","13.9836","0.0003","20.8953","0.0004","11.0131","0.0002","90","","103.717","0.002","90","","3126.16","0.11","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C39 H21 Fe N8 O2 Sn -","- C39 H21 Fe N8 O2 Sn -","- C156 H84 Fe4 N32 O8 Sn4 -","4","1","","Konarev, Dmitri V.; Kuzmin, Alexey V.; Batov, Mikhail S.; Khasanov, Salavat S.; Otsuka, Akihiro; Yamochi, Hideki; Kitagawa, Hiroshi; Lyubovskaya, Rimma N.","{CpFe<sup>II</sup>(CO)<sub>2</sub>Sn<sup>II</sup>(Macrocycle<sup>•3-</sup>)} Radicals with Intrinsic Charge Transfer from CpFe(CO)<sub>2</sub> to Macrocycles (Cp: Cp or Cp*); Effective Magnetic Coupling between Radical Trianionic Macrocycles<sup>•3</sup>.","ACS omega","2018","3","11","14875","14888","10.1021/acsomega.8b02221","","x-ray","0.71073","MoKα","","0.0282","0.0232","","","0.0602","0.0632","","","","","","1.051","","","","has coordinates","226131","2020-10-21","18:00:00",""
"4516126","11.7126","0.0003","11.7544","0.0003","12.9014","0.0003","108.604","0.002","101.649","0.002","105.849","0.002","1535.85","0.08","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C39 H21 Fe N8 O2 Sn -","- C39 H21 Fe N8 O2 Sn -","- C78 H42 Fe2 N16 O4 Sn2 -","2","1","","Konarev, Dmitri V.; Kuzmin, Alexey V.; Batov, Mikhail S.; Khasanov, Salavat S.; Otsuka, Akihiro; Yamochi, Hideki; Kitagawa, Hiroshi; Lyubovskaya, Rimma N.","{CpFe<sup>II</sup>(CO)<sub>2</sub>Sn<sup>II</sup>(Macrocycle<sup>•3-</sup>)} Radicals with Intrinsic Charge Transfer from CpFe(CO)<sub>2</sub> to Macrocycles (Cp: Cp or Cp*); Effective Magnetic Coupling between Radical Trianionic Macrocycles<sup>•3</sup>.","ACS omega","2018","3","11","14875","14888","10.1021/acsomega.8b02221","","x-ray","0.71073","MoKα","","0.0227","0.0209","","","0.0534","0.0545","","","","","","1.082","","","","has coordinates","226131","2020-10-21","18:00:00",""
"4516127","10.3737","0.0003","11.6856","0.0003","16.95","0.0004","90.491","0.002","91.962","0.002","98.758","0.002","2029.38","0.09","100","","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C47 H33 Cl Fe N8 O2 Sn -","- C47 H33 Cl Fe N8 O2 Sn -","- C94 H66 Cl2 Fe2 N16 O4 Sn2 -","2","1","","Konarev, Dmitri V.; Kuzmin, Alexey V.; Batov, Mikhail S.; Khasanov, Salavat S.; Otsuka, Akihiro; Yamochi, Hideki; Kitagawa, Hiroshi; Lyubovskaya, Rimma N.","{CpFe<sup>II</sup>(CO)<sub>2</sub>Sn<sup>II</sup>(Macrocycle<sup>•3-</sup>)} Radicals with Intrinsic Charge Transfer from CpFe(CO)<sub>2</sub> to Macrocycles (Cp: Cp or Cp*); Effective Magnetic Coupling between Radical Trianionic Macrocycles<sup>•3</sup>.","ACS omega","2018","3","11","14875","14888","10.1021/acsomega.8b02221","","x-ray","0.71073","MoKα","","0.0357","0.0285","","","0.0631","0.0661","","","","","","1.034","","","","has coordinates,has disorder","226131","2020-10-21","18:00:00",""
"4516128","11.6681","0.0006","16.5135","0.0008","16.9193","0.001","66.775","0.005","86.024","0.005","79.263","0.004","2943.4","0.3","100","","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C72 H47 Cl4 Fe N8 O2 Sn -","- C72 H47 Cl4 Fe N8 O2 Sn -","- C144 H94 Cl8 Fe2 N16 O4 Sn2 -","2","1","","Konarev, Dmitri V.; Kuzmin, Alexey V.; Batov, Mikhail S.; Khasanov, Salavat S.; Otsuka, Akihiro; Yamochi, Hideki; Kitagawa, Hiroshi; Lyubovskaya, Rimma N.","{CpFe<sup>II</sup>(CO)<sub>2</sub>Sn<sup>II</sup>(Macrocycle<sup>•3-</sup>)} Radicals with Intrinsic Charge Transfer from CpFe(CO)<sub>2</sub> to Macrocycles (Cp: Cp or Cp*); Effective Magnetic Coupling between Radical Trianionic Macrocycles<sup>•3</sup>.","ACS omega","2018","3","11","14875","14888","10.1021/acsomega.8b02221","","x-ray","0.71073","MoKα","","0.1555","0.0915","","","0.1994","0.2393","","","","","","1.027","","","","has coordinates,has disorder","226131","2020-10-21","18:00:00",""
"4516129","11.2634","0.0004","11.312","0.0004","14.9929","0.0005","90.824","0.003","91.078","0.003","97.186","0.003","1894.66","0.11","111","2","111","2","","","","","","","","6","P -1","-P 1","2","","","","- C51 H33 Fe N4 O2 Sn -","- C51 H33 Fe N4 O2 Sn -","- C102 H66 Fe2 N8 O4 Sn2 -","2","1","","Konarev, Dmitri V.; Kuzmin, Alexey V.; Batov, Mikhail S.; Khasanov, Salavat S.; Otsuka, Akihiro; Yamochi, Hideki; Kitagawa, Hiroshi; Lyubovskaya, Rimma N.","{CpFe<sup>II</sup>(CO)<sub>2</sub>Sn<sup>II</sup>(Macrocycle<sup>•3-</sup>)} Radicals with Intrinsic Charge Transfer from CpFe(CO)<sub>2</sub> to Macrocycles (Cp: Cp or Cp*); Effective Magnetic Coupling between Radical Trianionic Macrocycles<sup>•3</sup>.","ACS omega","2018","3","11","14875","14888","10.1021/acsomega.8b02221","","x-ray","0.71073","MoKα","","0.0326","0.0312","","","0.0779","0.0791","","","","","","1.062","","","","has coordinates,has disorder","226131","2020-10-21","18:00:00",""
"4516130","13.977","0.0002","21.1365","0.0002","11.0927","0.0001","90","","105.033","0.001","90","","3164.91","0.06","150","2","150","0.14","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C39 H21 Fe In N8 O2 -","- C39 H21 Fe In N8 O2 -","- C156 H84 Fe4 In4 N32 O8 -","4","1","","Konarev, Dmitri V.; Kuzmin, Alexey V.; Batov, Mikhail S.; Khasanov, Salavat S.; Otsuka, Akihiro; Yamochi, Hideki; Kitagawa, Hiroshi; Lyubovskaya, Rimma N.","{CpFe<sup>II</sup>(CO)<sub>2</sub>Sn<sup>II</sup>(Macrocycle<sup>•3-</sup>)} Radicals with Intrinsic Charge Transfer from CpFe(CO)<sub>2</sub> to Macrocycles (Cp: Cp or Cp*); Effective Magnetic Coupling between Radical Trianionic Macrocycles<sup>•3</sup>.","ACS omega","2018","3","11","14875","14888","10.1021/acsomega.8b02221","","x-ray","0.71073","MoKα","","0.0328","0.0253","","","0.0628","0.0664","","","","","","1.042","","","","has coordinates","226131","2020-10-21","18:00:00",""
"4516131","24.6695","0.0014","18.6531","0.001","20.3858","0.0011","90","","90","","90","","9380.8","0.9","298","2","298","2","","","","","","","","6","P b c n","-P 2n 2ab","60","(mu2-alpha,alpha'-bis((5,7-Dimethyl-1,4,8,11-tetra-azacyclotetradecan-6-yl) -o-xylene))-(mu2-azide)-bis(perchlorate)-di-copper(ii) perchlorate hydrate","","","- C32 H63 Cl3 Cu2 N11 O12.5 -","- C32 H62 Cl3 Cu2 N11 O12.5 -","- C256 H496 Cl24 Cu16 N88 O100 -","8","1","","Invernici, Michele; Ciarrocchi, Carlo; Dondi, Daniele; Fabbrizzi, Luigi; Lazzaroni, Simone; Licchelli, Maurizio; Boiocchi, Massimo; Bonizzoni, Marco","Bimacrocyclic Effect in Anion Recognition by a Copper(II) Bicyclam Complex.","ACS omega","2018","3","11","15692","15701","10.1021/acsomega.8b01710","","","0.7107","MoKα","","0.0966","0.0777","","","0.2285","0.2609","","","","","","1.034","","","","has coordinates,has disorder","226132","2020-10-21","18:00:00",""
"4516132","12.7702","0.0017","28.911","0.003","5.2268","0.0006","90","","90","","90","","1929.7","0.4","293","2","293.15","","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C23 H18 N6 -","- C23 H18 N6 -","- C92 H72 N24 -","4","1","","Banerji, Biswadip; Chandrasekhar, Kadaiahgari; Sreenath, Kancham; Roy, Saheli; Nag, Sayoni; Saha, Krishna Das","Synthesis of Triazole-Substituted Quinazoline Hybrids for Anticancer Activity and a Lead Compound as the EGFR Blocker and ROS Inducer Agent.","ACS omega","2018","3","11","16134","16142","10.1021/acsomega.8b01960","","","0.71073","MoKα","","0.1005","0.041","","","0.0853","0.1004","","","","","","0.96","","","","has coordinates","301843","2025-08-21","01:58:46",""
"4516133","15.833","0.0005","6.44809","0.00019","15.5345","0.0005","90","","90.5223","0.0015","90","","1585.89","0.09","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-(9H-pyreno[4,5-d]imidazol-10-yl)benzaldehyde","","- C24 H14 N2 O -","- C24 H14 N2 O -","- C96 H56 N8 O4 -","4","1","","Tabasi, Zahra A.; Younes, Eyad A.; Walsh, Joshua C.; Thompson, David W.; Bodwell, Graham J.; Zhao, Yuming","Pyrenoimidazolyl-Benzaldehyde Fluorophores: Synthesis, Properties, and Sensing Function for Fluoride Anions.","ACS omega","2018","3","11","16387","16397","10.1021/acsomega.8b02482","","","1.54178","CuKα","","0.0549","0.0521","","","0.1573","0.1617","","","","","","1.107","","","","has coordinates","301843","2025-08-21","01:58:46",""
"4516134","13.7747","0.0002","8.1613","0.0001","22.0303","0.0003","90","","102.249","0.0007","90","","2420.25","0.06","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H26 N2 O3 S2 -","- C28 H26 N2 O3 S2 -","- C112 H104 N8 O12 S8 -","4","1","","Tabasi, Zahra A.; Younes, Eyad A.; Walsh, Joshua C.; Thompson, David W.; Bodwell, Graham J.; Zhao, Yuming","Pyrenoimidazolyl-Benzaldehyde Fluorophores: Synthesis, Properties, and Sensing Function for Fluoride Anions.","ACS omega","2018","3","11","16387","16397","10.1021/acsomega.8b02482","","","1.54178","CuKα","","0.0446","0.0402","","","0.1154","0.1191","","","","","","1.072","","","","has coordinates","301843","2025-08-21","01:58:46",""
"4516135","13.4961","0.0007","7.3977","0.0003","17.2981","0.0009","90","","108.456","0.006","90","","1638.22","0.15","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C34 H32 Cl2 Cu2 N6 P2 -","- C34 H32 Cl2 Cu2 N6 P2 -","- C68 H64 Cl4 Cu4 N12 P4 -","2","0.5","","Kumar, Saurabh; Mondal, Dipanjan; Balakrishna, Maravanji S.","Diverse Architectures and Luminescence Properties of Group 11 Complexes Containing Pyrimidine-Based Phosphine, <i>N</i>-((Diphenylphosphine)methyl)pyrimidin-2-amine.","ACS omega","2018","3","12","16601","16614","10.1021/acsomega.8b02484","","x-ray","0.71073","MoKα","","0.0272","0.0255","","","0.0678","0.0687","","","","","","1.045","","","","has coordinates","226136","2020-10-21","18:00:00",""
"4516136","13.4532","0.0006","7.4445","0.0002","17.5935","0.0008","90","","106.285","0.004","90","","1691.34","0.12","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C17 H16 Br Cu N3 P -","- C17 H16 Br Cu N3 P -","- C68 H64 Br4 Cu4 N12 P4 -","4","1","","Kumar, Saurabh; Mondal, Dipanjan; Balakrishna, Maravanji S.","Diverse Architectures and Luminescence Properties of Group 11 Complexes Containing Pyrimidine-Based Phosphine, <i>N</i>-((Diphenylphosphine)methyl)pyrimidin-2-amine.","ACS omega","2018","3","12","16601","16614","10.1021/acsomega.8b02484","","","0.71073","MoKα","","0.0312","0.0268","","","0.0649","0.0677","","","","","","1.034","","","","has coordinates","226136","2020-10-21","18:00:00",""
"4516137","9.636","0.0002","10.2333","0.0003","12.8232","0.0003","69.01","0.002","81.979","0.002","71.386","0.002","1118.36","0.05","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C38 H38 Cu4 I4 N8 P2 -","- C38 H38 Cu4 I4 N8 P2 -","- C38 H38 Cu4 I4 N8 P2 -","1","0.5","","Kumar, Saurabh; Mondal, Dipanjan; Balakrishna, Maravanji S.","Diverse Architectures and Luminescence Properties of Group 11 Complexes Containing Pyrimidine-Based Phosphine, <i>N</i>-((Diphenylphosphine)methyl)pyrimidin-2-amine.","ACS omega","2018","3","12","16601","16614","10.1021/acsomega.8b02484","","x-ray","0.71073","MoKα","","0.0236","0.0199","","","0.0496","0.0513","","","","","","1.051","","","","has coordinates","226136","2020-10-21","18:00:00",""
"4516138","9.3162","0.0003","18.1124","0.0007","23.9326","0.0009","90","","90","","90","","4038.4","0.3","100","2","100","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C36 H32 Ag2 F6 N6 O6 P2 S2 -","- C36 H32 Ag2 F6 N6 O6 P2 S2 -","- C144 H128 Ag8 F24 N24 O24 P8 S8 -","4","1","","Kumar, Saurabh; Mondal, Dipanjan; Balakrishna, Maravanji S.","Diverse Architectures and Luminescence Properties of Group 11 Complexes Containing Pyrimidine-Based Phosphine, <i>N</i>-((Diphenylphosphine)methyl)pyrimidin-2-amine.","ACS omega","2018","3","12","16601","16614","10.1021/acsomega.8b02484","","x-ray","0.71073","MoKα","","0.0387","0.0342","","","0.0725","0.0743","","","","","","1.061","","","","has coordinates,has disorder","226136","2020-10-21","18:00:00",""
"4516139","9.3737","0.0006","10.3726","0.0006","11.0196","0.0008","108.252","0.006","102.115","0.006","110.351","0.005","890.77","0.13","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C34 H32 Ag2 B2 F8 N6 P2 -","- C34 H32 Ag2 B2 F8 N6 P2 -","- C34 H32 Ag2 B2 F8 N6 P2 -","1","0.5","","Kumar, Saurabh; Mondal, Dipanjan; Balakrishna, Maravanji S.","Diverse Architectures and Luminescence Properties of Group 11 Complexes Containing Pyrimidine-Based Phosphine, <i>N</i>-((Diphenylphosphine)methyl)pyrimidin-2-amine.","ACS omega","2018","3","12","16601","16614","10.1021/acsomega.8b02484","","x-ray","0.71073","MoKα","","0.0999","0.0779","","","0.2136","0.2468","","","","","","0.932","","","","has coordinates","301843","2025-08-21","01:58:46",""
"4516140","19.4767","0.0007","8.5915","0.0003","20.9829","0.0006","90","","96.19","0.003","90","","3490.7","0.2","150","","150","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17 H16 Au Cl N3 P -","- C17 H16 Au Cl N3 P -","- C136 H128 Au8 Cl8 N24 P8 -","8","2","","Kumar, Saurabh; Mondal, Dipanjan; Balakrishna, Maravanji S.","Diverse Architectures and Luminescence Properties of Group 11 Complexes Containing Pyrimidine-Based Phosphine, <i>N</i>-((Diphenylphosphine)methyl)pyrimidin-2-amine.","ACS omega","2018","3","12","16601","16614","10.1021/acsomega.8b02484","","x-ray","0.71073","MoKα","","0.0333","0.0273","","","0.0578","0.0609","","","","","","1.043","","","","has coordinates","226136","2020-10-21","18:00:00",""
"4516141","11.9962","0.0003","14.6765","0.0004","13.8899","0.0004","90","","93.394","0.002","90","","2441.2","0.11","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C32 H48 Bi2 Br10 N4 -","- C32 H48 Bi2 Br10 N4 -","- C64 H96 Bi4 Br20 N8 -","2","1","","Moon, Tae Hwan; Oh, Seung-Jin; Ok, Kang Min","[((<i>R</i>)-C<sub>8</sub>H<sub>12</sub>N)<sub>4</sub>][Bi<sub>2</sub>Br<sub>10</sub>] and [((<i>S</i>)-C<sub>8</sub>H<sub>12</sub>N)<sub>4</sub>][Bi<sub>2</sub>Br<sub>10</sub>]: Chiral Hybrid Bismuth Bromides Templated by Chiral Organic Cations.","ACS omega","2018","3","12","17895","17903","10.1021/acsomega.8b02877","","","0.71073","MoKα","","0.0605","0.0323","","","0.0542","0.0602","","","","","","0.95","","","","has coordinates","226137","2020-10-21","18:00:00",""
"4516142","11.997","0.002","14.728","0.003","13.94","0.003","90","","93.44","0.03","90","","2458.6","0.8","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C32 H48 Bi2 Br10 N4 -","- C32 H48 Bi2 Br10 N4 -","- C64 H96 Bi4 Br20 N8 -","2","1","","Moon, Tae Hwan; Oh, Seung-Jin; Ok, Kang Min","[((<i>R</i>)-C<sub>8</sub>H<sub>12</sub>N)<sub>4</sub>][Bi<sub>2</sub>Br<sub>10</sub>] and [((<i>S</i>)-C<sub>8</sub>H<sub>12</sub>N)<sub>4</sub>][Bi<sub>2</sub>Br<sub>10</sub>]: Chiral Hybrid Bismuth Bromides Templated by Chiral Organic Cations.","ACS omega","2018","3","12","17895","17903","10.1021/acsomega.8b02877","","x-ray","0.63","synchrotron","","0.0483","0.0371","","","0.084","0.0884","","","","","","0.955","","","","has coordinates","226137","2020-10-21","18:00:00",""
"4516143","15.127","0.0017","9.2725","0.001","15.5544","0.0017","90","","109.256","0.001","90","","2059.7","0.4","293","2","293.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H13 F2 I O2 S -","- C22 H13 F2 I O2 S -","- C88 H52 F8 I4 O8 S4 -","4","1","","Zhang, Jitan; Liang, Zhenda; Wang, Jun; Guo, Ziyi; Liu, Changqing; Xie, Meihua","Metal-Free Synthesis of Functionalized Tetrasubstituted Alkenes by Three-Component Reaction of Alkynes, Iodine, and Sodium Sulfinates.","ACS omega","2018","3","12","18002","18015","10.1021/acsomega.8b02966","","","0.71073","MoKα","","0.0352","0.032","","","0.0771","0.0795","","","","","","1.054","","","","has coordinates","301843","2025-08-21","01:58:46",""
"4516144","17.286","0.002","8.3835","0.0011","14.2909","0.0019","90","","90","","90","","2071","0.5","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C22 H17 I O3 S -","- C22 H17 I O3 S -","- C88 H68 I4 O12 S4 -","4","1","","Zhang, Jitan; Liang, Zhenda; Wang, Jun; Guo, Ziyi; Liu, Changqing; Xie, Meihua","Metal-Free Synthesis of Functionalized Tetrasubstituted Alkenes by Three-Component Reaction of Alkynes, Iodine, and Sodium Sulfinates.","ACS omega","2018","3","12","18002","18015","10.1021/acsomega.8b02966","","","0.71073","MoKα","","0.0408","0.0383","","","0.0912","0.0937","","","","","","1.061","","","","has coordinates","301843","2025-08-21","01:58:46",""
"4516145","8.3914","0.0009","10.1833","0.0011","11.436","0.0012","66.578","0.001","82.676","0.001","85.465","0.001","888.96","0.16","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C17 H16 Br I O3 S -","- C17 H16 Br I O3 S -","- C34 H32 Br2 I2 O6 S2 -","2","1","","Zhang, Jitan; Liang, Zhenda; Wang, Jun; Guo, Ziyi; Liu, Changqing; Xie, Meihua","Metal-Free Synthesis of Functionalized Tetrasubstituted Alkenes by Three-Component Reaction of Alkynes, Iodine, and Sodium Sulfinates.","ACS omega","2018","3","12","18002","18015","10.1021/acsomega.8b02966","","","0.71073","MoKα","","0.0331","0.0307","","","0.0857","0.087","","","","","","1.059","","","","has coordinates","301843","2025-08-21","01:58:46",""
"4516146","8.9059","0.0004","10.388","0.0005","11.1079","0.0005","64.715","0.001","88.475","0.001","80.124","0.001","914.16","0.07","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C11 H16 N O13 P Pb2 S -","- C11 H14 N O13 P Pb2 S -","- C22 H28 N2 O26 P2 Pb4 S2 -","2","1","","Cai, Xiao-Ou; Sun, Meng; Shao, Yu-Jing; Liu, Fang; Liu, Qun-Li; Zhu, Yan-Yu; Sun, Zhen-Gang; Dong, Da-Peng; Li, Jing","Two Highly Stable Luminescent Lead Phosphonates Based on Mixed Ligands: Highly Selective and Sensitive Sensing for Thymine Molecule and VO<sub>3</sub><sup>-</sup> Anion.","ACS omega","2018","3","12","16443","16452","10.1021/acsomega.8b02030","","","0.71073","MoKα","","0.031","0.0269","","","0.0686","0.0717","","","","","","0.956","","","","has coordinates","226141","2020-10-21","18:00:00",""
"4516147","9.4266","0.0007","12.5779","0.0009","13.2779","0.001","100.972","0.001","90.825","0.001","104.333","0.001","1494.3","0.19","295","2","295","2","","","","","","","","7","P -1","-P 1","2","","","","- C17 H28 N2 O16 P2 Pb3 S -","- C17 H28 N2 O16 P2 Pb3 S -","- C34 H56 N4 O32 P4 Pb6 S2 -","2","1","","Cai, Xiao-Ou; Sun, Meng; Shao, Yu-Jing; Liu, Fang; Liu, Qun-Li; Zhu, Yan-Yu; Sun, Zhen-Gang; Dong, Da-Peng; Li, Jing","Two Highly Stable Luminescent Lead Phosphonates Based on Mixed Ligands: Highly Selective and Sensitive Sensing for Thymine Molecule and VO<sub>3</sub><sup>-</sup> Anion.","ACS omega","2018","3","12","16443","16452","10.1021/acsomega.8b02030","","","0.71073","MoKα","","0.0464","0.0398","","","0.1094","0.1138","","","","","","1.011","","","","has coordinates","226142","2020-10-21","18:00:00",""
"4516148","10.19","0.008","6.636","0.005","18.242","0.014","90","","104.79","0.02","90","","1192.7","1.6","200","2","200","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C28 H32 F N O2 S -","- C28 H32 F N O2 S -","- C56 H64 F2 N2 O4 S2 -","2","1","","Okolo, ChrisTina; Ali, Mohamad Akbar; Newman, Matthew; Chambers, Steven A.; Whitt, Jedidiah; Alsharif, Zakeyah A.; Day, Victor W.; Alam, Mohammad A.","Hexafluoroisopropanol-Mediated Domino Reaction for the Synthesis of Thiazolo-androstenones: Potent Anticancer Agents.","ACS omega","2018","3","12","17991","18001","10.1021/acsomega.8b02840","","","0.71073","MoKα","","0.064","0.0461","","","0.1074","0.1212","","","","","","1.039","","","","has coordinates","301843","2025-08-21","01:58:46",""
"4516149","7.212","0.004","8.116","0.004","36.696","0.017","90","","90","","90","","2147.9","1.9","200","2","200","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C26 H28 F N O S -","- C26 H28 F N O S -","- C104 H112 F4 N4 O4 S4 -","4","1","","Okolo, ChrisTina; Ali, Mohamad Akbar; Newman, Matthew; Chambers, Steven A.; Whitt, Jedidiah; Alsharif, Zakeyah A.; Day, Victor W.; Alam, Mohammad A.","Hexafluoroisopropanol-Mediated Domino Reaction for the Synthesis of Thiazolo-androstenones: Potent Anticancer Agents.","ACS omega","2018","3","12","17991","18001","10.1021/acsomega.8b02840","","","0.71073","MoKα","","0.0826","0.059","","","0.1269","0.1372","","","","","","1.051","","","","has coordinates","301843","2025-08-21","01:58:46",""
"4516150","9.5976","0.0012","37.906","0.004","55.277","0.006","90","","90","","90","","20110","4","200","2","200","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C26 H28 Br N O S -","- C26 H28 Br N O S -","- C936 H1008 Br36 N36 O36 S36 -","36","9","","Okolo, ChrisTina; Ali, Mohamad Akbar; Newman, Matthew; Chambers, Steven A.; Whitt, Jedidiah; Alsharif, Zakeyah A.; Day, Victor W.; Alam, Mohammad A.","Hexafluoroisopropanol-Mediated Domino Reaction for the Synthesis of Thiazolo-androstenones: Potent Anticancer Agents.","ACS omega","2018","3","12","17991","18001","10.1021/acsomega.8b02840","","","1.54178","CuKα","","0.1524","0.1354","","","0.3398","0.353","","","","","","1.044","","","","has coordinates","226145","2020-10-21","18:00:00",""
"4516151","9.603","0.002","7.0203","0.0016","15.771","0.004","90","","93.616","0.003","90","","1061.1","0.4","200","2","200","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C26 H28 F N O S -","- C26 H28 F N O S -","- C52 H56 F2 N2 O2 S2 -","2","1","","Okolo, ChrisTina; Ali, Mohamad Akbar; Newman, Matthew; Chambers, Steven A.; Whitt, Jedidiah; Alsharif, Zakeyah A.; Day, Victor W.; Alam, Mohammad A.","Hexafluoroisopropanol-Mediated Domino Reaction for the Synthesis of Thiazolo-androstenones: Potent Anticancer Agents.","ACS omega","2018","3","12","17991","18001","10.1021/acsomega.8b02840","","","0.71073","MoKα","","0.0686","0.0466","","","0.092","0.104","","","","","","1.027","","","","has coordinates","301843","2025-08-21","01:58:46",""
"4516152","11.8883","0.0003","7.4114","0.0003","20.6224","0.0007","90","","95.281","0.003","90","","1809.31","0.11","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H21 N O2 S -","- C22 H21 N O2 S -","- C88 H84 N4 O8 S4 -","4","1","","Mane, Vaijinath; Baiju, Thekke V.; Namboothiri, Irishi N. N.","Synthesis of Functionalized Thieno[2,3-<i>b</i>]indoles via One-Pot Reaction of Indoline-2-thiones with Morita-Baylis-Hillman and Rauhut-Currier Adducts of Nitroalkenes.","ACS omega","2018","3","12","17617","17628","10.1021/acsomega.8b02147","","x-ray","0.71073","MoKα","","0.0431","0.0354","","","0.094","0.0986","","","","","","1.061","","","","has coordinates","301843","2025-08-21","01:58:46",""
"4516153","15.959","0.005","8.47","0.002","21.482","0.006","90","","108.034","0.004","90","","2761.1","1.3","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H33 N3 O4 S -","- C28 H33 N3 O4 S -","- C112 H132 N12 O16 S4 -","4","1","","Mane, Vaijinath; Baiju, Thekke V.; Namboothiri, Irishi N. N.","Synthesis of Functionalized Thieno[2,3-<i>b</i>]indoles via One-Pot Reaction of Indoline-2-thiones with Morita-Baylis-Hillman and Rauhut-Currier Adducts of Nitroalkenes.","ACS omega","2018","3","12","17617","17628","10.1021/acsomega.8b02147","","","0.7107","MoKα","","0.0701","0.0545","","","0.1192","0.129","","","","","","1.103","","","","has coordinates","301843","2025-08-21","01:58:46",""
"4516154","11.08","0.02","11.755","0.018","11.961","0.014","63.18","0.17","66.29","0.17","71.29","0.18","1254","4","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C26 H32 N3 O4 S -","- C26 H31 N3 O4 S -","- C52 H62 N6 O8 S2 -","2","1","","Mane, Vaijinath; Baiju, Thekke V.; Namboothiri, Irishi N. N.","Synthesis of Functionalized Thieno[2,3-<i>b</i>]indoles via One-Pot Reaction of Indoline-2-thiones with Morita-Baylis-Hillman and Rauhut-Currier Adducts of Nitroalkenes.","ACS omega","2018","3","12","17617","17628","10.1021/acsomega.8b02147","","","0.7107","MoKα","","0.106","0.0621","","","0.1244","0.1519","","","","","","0.87","","","","has coordinates","226149","2020-10-21","18:00:00",""
"4516155","16.4194","0.0007","10.6606","0.0005","11.1508","0.0004","90","","107.03","0.003","90","","1866.26","0.14","298","","298","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H17 Cl2 N O2 -","- C21 H17 Cl2 N O2 -","- C84 H68 Cl8 N4 O8 -","4","1","","Zhang, Mingming; Prior, Allan M.; Maddox, Marcus M.; Shen, Wan-Jou; Hevener, Kirk E.; Bruhn, David F.; Lee, Robin B.; Singh, Aman P.; Reinicke, Justin; Simmons, Charles J.; Hurdle, Julian G.; Lee, Richard E.; Sun, Dianqing","Pharmacophore Modeling, Synthesis, and Antibacterial Evaluation of Chalcones and Derivatives.","ACS omega","2018","3","12","18343","18360","10.1021/acsomega.8b03174","","","0.71069","MoKα","","","0.0447","","","","0.0483","","","","","","1.141","","","","has coordinates","301843","2025-08-21","01:58:46",""
"4516156","16.077","0.0007","16.3313","0.0009","16.9952","0.0009","90","","107.066","0.002","90","","4265.7","0.4","170","2","170","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C12 H28 I3 P Pb -","- C12 H28 I3 P Pb -","- C96 H224 I24 P8 Pb8 -","8","4","","Omahen, Emily H.; Binder, Justin F.; Jacobs, Brad F.; Swidan, Ala'aeddeen; Macdonald, Charles L. B.","Phosphonium-Templated Iodoplumbates.","ACS omega","2018","3","12","17077","17082","10.1021/acsomega.8b02240","","","0.71073","MoKα","","0.1017","0.0552","","","0.1097","0.1364","","","","","","1.113","","","","has coordinates,has disorder","226151","2020-10-21","18:00:00",""
"4516157","24.56","0.002","13.0686","0.0011","16.1499","0.0014","90","","110.037","0.002","90","","4869.8","0.7","170","2","170","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C40 H39 I6 N P2 Pb2 -","- C40 H39 I6 N P2 Pb2 -","- C160 H156 I24 N4 P8 Pb8 -","4","0.5","","Omahen, Emily H.; Binder, Justin F.; Jacobs, Brad F.; Swidan, Ala'aeddeen; Macdonald, Charles L. B.","Phosphonium-Templated Iodoplumbates.","ACS omega","2018","3","12","17077","17082","10.1021/acsomega.8b02240","","","0.71073","MoKα","","0.0522","0.0371","","","0.0783","0.0854","","","","","","1.154","","","","has coordinates,has disorder","226152","2020-10-21","18:00:00",""
"4516158","15.3593","0.0006","11.1506","0.0004","7.9441","0.0003","90","","100.889","0.001","90","","1336.05","0.09","170","2","170","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C8 H22 I6 P2 Pb2 -","- C7.998 H24 I6 P2 Pb2 -","- C15.996 H48 I12 P4 Pb4 -","2","0.25","","Omahen, Emily H.; Binder, Justin F.; Jacobs, Brad F.; Swidan, Ala'aeddeen; Macdonald, Charles L. B.","Phosphonium-Templated Iodoplumbates.","ACS omega","2018","3","12","17077","17082","10.1021/acsomega.8b02240","","","0.71073","MoKα","","0.0409","0.0296","","","0.0661","0.0718","","","","","","1.062","","","","has coordinates,has disorder","226153","2020-10-21","18:00:00",""
"4516159","8.1978","0.001","8.1978","0.001","6.0037","0.0008","90","","90","","90","","403.47","0.09","170","","170","","","","","","","","","4","P 4/n m m :2","-P 4a 2a","129","","","","- C4 H12 I P -","- C4 H12 I P -","- C8 H24 I2 P2 -","2","0.125","","Omahen, Emily H.; Binder, Justin F.; Jacobs, Brad F.; Swidan, Ala'aeddeen; Macdonald, Charles L. B.","Phosphonium-Templated Iodoplumbates.","ACS omega","2018","3","12","17077","17082","10.1021/acsomega.8b02240","","","0.71073","MoKα","","0.0501","0.0423","","","0.0914","0.0962","","","","","","1.232","","","","has coordinates,has disorder","226154","2020-10-21","18:00:00",""
"4516160","10.0382","0.0008","10.0382","0.0008","23.738","0.002","90","","90","","120","","2071.5","0.3","170","2","170","2","","","","","","","","5","P 65","P 65","170","","","","- C4 H12 I3 P Pb -","- C4 H12 I3 P Pb -","- C24 H72 I18 P6 Pb6 -","6","1","","Omahen, Emily H.; Binder, Justin F.; Jacobs, Brad F.; Swidan, Ala'aeddeen; Macdonald, Charles L. B.","Phosphonium-Templated Iodoplumbates.","ACS omega","2018","3","12","17077","17082","10.1021/acsomega.8b02240","","","0.71073","MoKα","","0.0489","0.0471","","","0.1125","0.1144","","","","","","1.108","","","","has coordinates","226155","2020-10-21","18:00:00",""
"4516161","16.097","0.0009","9.1111","0.0005","17.2334","0.001","90","","114.177","0.002","90","","2305.8","0.2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H20 Br N3 O3 -","- C27 H20 Br N3 O3 -","- C108 H80 Br4 N12 O12 -","4","1","","Maity, Pampa; Naskar, Barnali; Goswami, Sanchita; Prodhan, Chandraday; Chaudhuri, Tandrima; Chaudhuri, Keya; Mukhopadhyay, Chhanda","Pyrrolo[3,4-c]pyridine-Based Fluorescent Chemosensor for Fe3+/Fe2+ Sensitivity and Their Application in Living HepG2 Cells","ACS Omega","2018","3","12","18646","","10.1021/acsomega.8b02110","","","0.71073","MoKα","","0.028","0.0258","","","0.087","0.0906","","","","","","0.73","","","","has coordinates","301843","2025-08-21","01:58:46",""
"4516162","18.4872","0.0014","18.4872","0.0014","18.4872","0.0014","90","","90","","90","","6318.5","0.8","120","2","120","2","","","","","","","","6","I a -3 d","-I 4bd 2c 3","230","","Bis-[2,4,6-tri(pyrazol-1-yl)-1,3,5-triazine]nickel(II) di-tetrafluoroborate","","- C24 H18 B2 F8 N18 Ni -","- C24 H18 B2 F8 N18 Ni0.99 -","- C192 H144 B16 F64 N144 Ni7.92 -","8","0.0833333","","Berdiell, Izar Capel; Kulak, Alexander N.; Warriner, Stuart L.; Halcrow, Malcolm A.","Heterometallic Coordination Polymer Gels Supported by 2,4,6-Tris(pyrazol-1-yl)-1,3,5-triazine.","ACS omega","2018","3","12","18466","18474","10.1021/acsomega.8b02508","","","1.54184","CuKα","","0.0926","0.0781","","","0.2314","0.2621","","","","","","1.09","","","","has coordinates","226157","2020-10-21","18:00:00",""
"4516163","12.3764","0.0007","16.8545","0.0014","21.0272","0.0019","107.562","0.008","91.665","0.006","106.956","0.006","3966.9","0.6","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","[2,4-Di(pyrazol-1-yl)-6-hydroxy-1,3,5-triazinate]-tris[2,4,6-tri- (pyrazol-1-yl)-1,3,5-triazine][1H-pyrazole]dicopper(II) tri(tetrafluoroborate) nitromethane (7/6.25) solvate","","- C54.25 H55.75 B3 Cu2 F12 N42.25 O13.5 -","- C54.25 H55.75 B3 Cu2 F12 N42.25 O13.5 -","- C108.5 H111.5 B6 Cu4 F24 N84.5 O27 -","2","1","","Berdiell, Izar Capel; Kulak, Alexander N.; Warriner, Stuart L.; Halcrow, Malcolm A.","Heterometallic Coordination Polymer Gels Supported by 2,4,6-Tris(pyrazol-1-yl)-1,3,5-triazine.","ACS omega","2018","3","12","18466","18474","10.1021/acsomega.8b02508","","","1.54184","CuKα","","0.0805","0.0742","","","0.2103","0.2185","","","","","","1.033","","","","has coordinates,has disorder","226157","2020-10-21","18:00:00",""
"4516164","17.8353","0.0008","25.3177","0.0013","27.4906","0.0011","90","","90","","90","","12413.3","1","120","2","120","2","","","","","","","","6","F d d d :2","-F 2uv 2vw","70","","Bis-[2,4,6-tri(pyrazol-1-yl)pyrimidine]iron(II) di(tetrafluoroborate)","","- C26 H20 B2 F8 Fe N16 -","- C26 H20 B2 F8 Fe N16 -","- C416 H320 B32 F128 Fe16 N256 -","16","0.5","","Berdiell, Izar Capel; Kulak, Alexander N.; Warriner, Stuart L.; Halcrow, Malcolm A.","Heterometallic Coordination Polymer Gels Supported by 2,4,6-Tris(pyrazol-1-yl)-1,3,5-triazine.","ACS omega","2018","3","12","18466","18474","10.1021/acsomega.8b02508","","","1.54184","CuKα","","0.0851","0.0755","","","0.2077","0.2157","","","","","","1.091","","","","has coordinates,has disorder","226157","2020-10-21","18:00:00",""
"4516165","15.2393","0.0002","31.6772","0.0003","15.9371","0.0002","90","","111.945","0.001","90","","7136.01","0.15","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Bis-[2,4,6-tri(pyrazol-1-yl)pyrimidine]iron(II) diperchlorate nitromethane (1/) solvate","","- C26.9 H23.2 Cl2 Fe N16.9 O9.93 -","- C26.9 H22.7 Cl2 Fe N16.9 O9.925 -","- C215.2 H181.6 Cl16 Fe8 N135.2 O79.4 -","8","2","","Berdiell, Izar Capel; Kulak, Alexander N.; Warriner, Stuart L.; Halcrow, Malcolm A.","Heterometallic Coordination Polymer Gels Supported by 2,4,6-Tris(pyrazol-1-yl)-1,3,5-triazine.","ACS omega","2018","3","12","18466","18474","10.1021/acsomega.8b02508","","","1.54184","CuKα","","0.0728","0.0672","","","0.1822","0.1869","","","","","","1.079","","","","has coordinates,has disorder","226157","2020-10-21","18:00:00",""
"4516166","34.0363","0.0008","7.9956","0.0002","18.5251","0.0004","90","","97.374","0.001","90","","4999.7","0.2","120","2","120","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","N,N'-bismesitylphenanthrone-9,10-diimine","","- C32 H30 N2 -","- C32 H30 N2 -","- C256 H240 N16 -","8","1","","Dong, Chao; Dickie, Diane A.; Maio, William A.; Manz, Thomas A.","Synthesis and Characterization of <i>N</i>,<i>N</i>'-Bismesityl Phenanthrene-9,10-diimine and Imine-Nitrone.","ACS omega","2018","3","12","16858","16865","10.1021/acsomega.8b02981","","","0.71073","MoKα","","0.0626","0.0459","","","0.1136","0.124","","","","","","1.037","","","","has coordinates","301843","2025-08-21","01:58:46",""
"4516167","7.62509","0.00011","8.44847","0.00012","15.92585","0.00016","104.231","0.001","94.45","0.001","103.15","0.0012","958.65","0.02","99.98","0.13","99.98","0.13","","","","","","","","5","P -1","-P 1","2","m-CF3-dithiatriazine dimer","4,9-bis[3-(trifluoromethyl)phenyl]-1l4,2l4,6l4,7l4-Tetrathia-3,5,8,10,11,12-hexaazatricyclo[5.3.1.12,6]dodeca-1(11),2,4,6(12),7,9-hexaene","","- C8 H4 F3 N3 S2 -","- C8 H4 F3 N3 S2 -","- C32 H16 F12 N12 S8 -","4","2","","Boeré, René T","Experimental and Computational Evidence for ""Double Pancake Bonds"": The Role of Dispersion-Corrected DFT Methods in Strongly Dimerized 5-Aryl-1λ<sup>2</sup>,3λ<sup>2</sup>-dithia-2,4,6-triazines.","ACS omega","2018","3","12","18170","18180","10.1021/acsomega.8b03211","","x-ray","1.54184","CuKα","","0.0398","0.0385","","","0.1067","0.1076","","","","","","1.082","","","","has coordinates,has disorder","226159","2020-10-21","18:00:00",""
"4516168","22.90772","0.00016","4.66989","0.00003","22.2724","0.0002","90","","106.678","0.0009","90","","2282.39","0.03","100.01","0.1","100.01","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","mCF3-bicyclic","7-[3-(Trifluoromethyl)phenyl]-1l4,3l4,5l4-trithia-2,4,6,8,9-pentaazabicyclo [3.3.1]nona-1(9),2,3,5,7-pentaene","","- C8 H4 F3 N5 S3 -","- C8 H4 F3 N5 S3 -","- C64 H32 F24 N40 S24 -","8","1","","Boeré, René T","Experimental and Computational Evidence for ""Double Pancake Bonds"": The Role of Dispersion-Corrected DFT Methods in Strongly Dimerized 5-Aryl-1λ<sup>2</sup>,3λ<sup>2</sup>-dithia-2,4,6-triazines.","ACS omega","2018","3","12","18170","18180","10.1021/acsomega.8b03211","","x-ray","1.54184","CuKα","","0.0286","0.028","","","0.0741","0.0744","","","","","","1.075","","","","has coordinates","226159","2020-10-21","18:00:00",""
"4516169","10.4125","0.0008","7.9214","0.0006","17.1706","0.0013","90","","100.71","0.001","90","","1391.59","0.18","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C33 H29 N O5 S -","- C33 H29 N O5 S -","- C66 H58 N2 O10 S2 -","2","1","","Chen, Ying-Han; Li, De-Hai; Liu, Yan-Kai","Diversified Synthesis of Chiral Chromane-Containing Polyheterocyclic Compounds via Asymmetric Organocatalytic Cascade Reactions.","ACS omega","2018","3","12","16615","16625","10.1021/acsomega.8b02891","","","0.71073","MoKα","","0.0456","0.0353","","","0.0832","0.0898","","","","","","1.015","","","","has coordinates","301843","2025-08-21","01:58:46",""
"4516170","11.977","0.0015","11.977","0.0015","47.127","0.012","90","","90","","120","","5854.6","1.8","296.15","","296.15","","","","","","","","","5","P 61","P 61","169","","","","- C48 H38 N2 O6 S2 -","- C48 H38 N2 O6 S2 -","- C288 H228 N12 O36 S12 -","6","1","","Chen, Ying-Han; Li, De-Hai; Liu, Yan-Kai","Diversified Synthesis of Chiral Chromane-Containing Polyheterocyclic Compounds via Asymmetric Organocatalytic Cascade Reactions.","ACS omega","2018","3","12","16615","16625","10.1021/acsomega.8b02891","","","0.71073","MoKα","","0.0731","0.0459","","","0.0835","0.0915","","","","","","1.024","","","","has coordinates","301843","2025-08-21","01:58:46",""
"4516171","6.2228","0.0006","16.253","0.001","17.111","0.001","90","","90","","90","","1730.6","0.2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H13 N O3 -","- C23 H13 N O3 -","- C92 H52 N4 O12 -","4","1","","Grolleau, Jérémie; Petrov, Ravil; Allain, Magali; Skene, William G.; Frère, Pierre","Solid-State Emission Enhancement via Molecular Engineering of Benzofuran Derivatives.","ACS omega","2018","3","12","18542","18552","10.1021/acsomega.8b02384","","x-ray","0.71073","MoKα","","0.0897","0.0398","","","0.0714","0.086","","","","","","1.09","","","","has coordinates","301843","2025-08-21","01:58:46",""
"4516172","13.4246","0.0005","5.6336","0.0002","7.7042","0.0003","90","","90.883","0.003","90","","582.59","0.04","150","0.1","150","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C16 H12 O -","- C16 H12 O -","- C32 H24 O2 -","2","0.5","","Grolleau, Jérémie; Petrov, Ravil; Allain, Magali; Skene, William G.; Frère, Pierre","Solid-State Emission Enhancement via Molecular Engineering of Benzofuran Derivatives.","ACS omega","2018","3","12","18542","18552","10.1021/acsomega.8b02384","","","1.54184","CuKα","","0.0681","0.0662","","","0.1626","0.1637","","","","","","1.118","","","","has coordinates,has disorder","226163","2020-10-21","18:00:00",""
"4516173","7.353","0.001","13.0226","0.0009","32.757","0.004","90","","90","","90","","3136.7","0.6","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C21 H13 N O2 -","- C21 H13 N O2 -","- C168 H104 N8 O16 -","8","1","","Grolleau, Jérémie; Petrov, Ravil; Allain, Magali; Skene, William G.; Frère, Pierre","Solid-State Emission Enhancement via Molecular Engineering of Benzofuran Derivatives.","ACS omega","2018","3","12","18542","18552","10.1021/acsomega.8b02384","","x-ray","0.71073","MoKα","","0.1783","0.047","","","0.0868","0.1106","","","","","","0.929","","","","has coordinates","301843","2025-08-21","01:58:46",""
"4516174","5.843","0.0002","3.9026","0.0002","30.318","0.002","90","","94.535","0.004","90","","689.17","0.06","293","1","293","1","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C19 H11 N O2 -","- C19 H11 N O2 -","- C38 H22 N2 O4 -","2","1","","Grolleau, Jérémie; Petrov, Ravil; Allain, Magali; Skene, William G.; Frère, Pierre","Solid-State Emission Enhancement via Molecular Engineering of Benzofuran Derivatives.","ACS omega","2018","3","12","18542","18552","10.1021/acsomega.8b02384","","x-ray","1.54184","CuKα","","0.0547","0.0498","","","0.1352","0.1484","","","","","","1.119","","","","has coordinates","301843","2025-08-21","01:58:46",""
"4516175","11.0189","0.0003","5.6659","0.0002","46.0573","0.0015","90","","90","","90","","2875.45","0.16","150","2","150","0.1","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C20 H14 O2 -","- C20 H14 O2 -","- C160 H112 O16 -","8","2","","Grolleau, Jérémie; Petrov, Ravil; Allain, Magali; Skene, William G.; Frère, Pierre","Solid-State Emission Enhancement via Molecular Engineering of Benzofuran Derivatives.","ACS omega","2018","3","12","18542","18552","10.1021/acsomega.8b02384","","","1.54184","CuKα","","0.0308","0.0288","","","0.0699","0.0722","","","","","","1.059","","","","has coordinates","301843","2025-08-21","01:58:46",""
"4516176","3.8218","0.0002","5.7496","0.0003","27.25","0.0013","90","","93.862","0.005","90","","597.43","0.05","150","0.1","150","0.1","","","","","","","","4","P 1 n 1","P -2yac","7","","","","- C17 H11 N O -","- C17 H11 N O -","- C34 H22 N2 O2 -","2","1","","Grolleau, Jérémie; Petrov, Ravil; Allain, Magali; Skene, William G.; Frère, Pierre","Solid-State Emission Enhancement via Molecular Engineering of Benzofuran Derivatives.","ACS omega","2018","3","12","18542","18552","10.1021/acsomega.8b02384","","x-ray","1.54184","CuKα","","0.0429","0.039","","","0.0991","0.1018","","","","","","1.081","","","","has coordinates","301843","2025-08-21","01:58:46",""
"4516177","6.4009","0.0002","7.3211","0.0003","13.9114","0.0006","90","","100.161","0.004","90","","641.69","0.04","150","0.1","150","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C18 H12 O2 -","- C18 H12 O2 -","- C36 H24 O4 -","2","1","","Grolleau, Jérémie; Petrov, Ravil; Allain, Magali; Skene, William G.; Frère, Pierre","Solid-State Emission Enhancement via Molecular Engineering of Benzofuran Derivatives.","ACS omega","2018","3","12","18542","18552","10.1021/acsomega.8b02384","","x-ray","1.54184","CuKα","","0.0344","0.0326","","","0.0922","0.0934","","","","","","1.061","","","","has coordinates","301843","2025-08-21","01:58:46",""
"4516178","11.4973","0.001","14.4173","0.0013","15.8364","0.0014","90","","109.373","0.001","90","","2476.4","0.4","273","2","273","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C13 H24 N O23 P Tb2 -","- C13 H24 N O23 P Tb2 -","- C52 H96 N4 O92 P4 Tb8 -","4","1","","Jiao, Cheng-Qi; Sun, Meng; Liu, Fang; Zhou, Ya-Nan; Zhu, Yan-Yu; Sun, Zhen-Gang; Dong, Da-Peng; Li, Jing","Terbium Oxalatophosphonate as Efficient Multiresponsive Luminescent Sensors for Chromate Anions and Tryptophan Molecules.","ACS omega","2018","3","12","16735","16742","10.1021/acsomega.8b02486","","","0.71073","MoKα","","0.0447","0.0293","","","0.0545","0.0576","","","","","","1.001","","","","has coordinates,has disorder","226169","2020-10-21","18:00:00",""
"4516179","24.483","0.002","4.4738","0.0004","19.705","0.002","90","","113.73","","90","","1975.8","0.3","273","2","273","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","pyrodpp","","","- C23 H22 N6 -","- C23 H22 N6 -","- C92 H88 N24 -","4","1","","Naik, Indravath K.; Bodapati, Ramakrishna; Sarkar, Rudraditya; Mondal, Navendu; Das, Samar K.","Functional Molecular System of Bis(pyrazolyl)pyridine Derivatives: Photophysics, Spectroscopy, Computation, and Ion Sensing.","ACS omega","2018","3","3","3022","3035","10.1021/acsomega.7b02006","","","0.71073","MoKα","","0.2181","0.0852","","","0.2269","0.3066","","","","","","0.869","","","","has coordinates","301843","2025-08-21","01:58:46",""
"4516180","7.4514","0.0007","10.2478","0.0009","12.0251","0.001","74.076","0.002","89.764","0.002","85.604","0.002","880.27","0.14","293","2","293","2","","","","","","","","5","P -1","-P 1","2","dpp phosphate","","","- C16 H20 N5 O3 P -","- C16 H20 N5 O3 P -","- C32 H40 N10 O6 P2 -","2","1","","Naik, Indravath K.; Bodapati, Ramakrishna; Sarkar, Rudraditya; Mondal, Navendu; Das, Samar K.","Functional Molecular System of Bis(pyrazolyl)pyridine Derivatives: Photophysics, Spectroscopy, Computation, and Ion Sensing.","ACS omega","2018","3","3","3022","3035","10.1021/acsomega.7b02006","","","0.71073","MoKα","","0.1225","0.0852","","","0.2203","0.255","","","","","","1.034","","","","has coordinates","301843","2025-08-21","01:58:46",""
"4516181","13.5644","0.0003","14.7817","0.0004","23.8992","0.0006","103.053","0.002","95.08","0.002","108.299","0.002","4365.7","0.2","149","2","149.4","","","","","","","","","6","P -1","-P 1","2","","","","- C68 H92 N12 O20 Re4 S4 -","- C68 H92 N12 O20 Re4 S4 -","- C136 H184 N24 O40 Re8 S8 -","2","1","","Karthikeyan, Muthuraman; Ramakrishna, Buthanapalli; Vellaiyadevan, Sivalingam; Divya, Dhanaraj; Manimaran, Bala","Amide-Functionalized Chalcogen-Bridged Flexible Tetranuclear Rhenacycles: Synthesis, Characterization, Solvent Effect on the Structure, and Guest Binding.","ACS omega","2018","3","3","3257","3266","10.1021/acsomega.7b02075","","","0.71073","MoKα","","0.0857","0.0597","","","0.1323","0.1424","","","","","","1.044","","","","has coordinates,has disorder","226172","2020-10-21","18:00:00",""
"4516182","20.384","0.0018","17.0684","0.0013","21.821","0.012","90","","94.39","0.02","90","","7570","4","151","2","150.7","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C68 H56 N8 O16 Re4 S4 -","- C68 H56 N8 O16 Re4 S4 -","- C272 H224 N32 O64 Re16 S16 -","4","1","","Karthikeyan, Muthuraman; Ramakrishna, Buthanapalli; Vellaiyadevan, Sivalingam; Divya, Dhanaraj; Manimaran, Bala","Amide-Functionalized Chalcogen-Bridged Flexible Tetranuclear Rhenacycles: Synthesis, Characterization, Solvent Effect on the Structure, and Guest Binding.","ACS omega","2018","3","3","3257","3266","10.1021/acsomega.7b02075","","","0.71073","MoKα","","0.1088","0.0652","","","0.1598","0.1808","","","","","","1.051","","","","has coordinates","226172","2020-10-21","18:00:00",""
"4516183","14.247","0.0009","14.3139","0.0007","25.3456","0.0014","79.388","0.005","82.079","0.005","84.365","0.005","5017.8","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C74 H70 N10 O18 Re4 S4 -","- C74 H70 N10 O18 Re4 S4 -","- C148 H140 N20 O36 Re8 S8 -","2","1","","Karthikeyan, Muthuraman; Ramakrishna, Buthanapalli; Vellaiyadevan, Sivalingam; Divya, Dhanaraj; Manimaran, Bala","Amide-Functionalized Chalcogen-Bridged Flexible Tetranuclear Rhenacycles: Synthesis, Characterization, Solvent Effect on the Structure, and Guest Binding.","ACS omega","2018","3","3","3257","3266","10.1021/acsomega.7b02075","","","0.71073","MoKα","","0.1988","0.0908","","","0.2184","0.2575","","","","","","0.879","","","","has coordinates","226172","2020-10-21","18:00:00",""
"4516184","13.8133","0.0004","13.9339","0.0005","14.4964","0.0005","71.743","0.003","78.559","0.003","80.466","0.003","2580.96","0.16","150","0.14","150","0.14","","","","","","","","7","P -1","-P 1","2","","","","- C92 H92 Fe4 N12 O20 Re4 S4 -","- C92 H92 Fe4 N12 O20 Re4 S4 -","- C92 H92 Fe4 N12 O20 Re4 S4 -","1","0.5","","Karthikeyan, Muthuraman; Ramakrishna, Buthanapalli; Vellaiyadevan, Sivalingam; Divya, Dhanaraj; Manimaran, Bala","Amide-Functionalized Chalcogen-Bridged Flexible Tetranuclear Rhenacycles: Synthesis, Characterization, Solvent Effect on the Structure, and Guest Binding.","ACS omega","2018","3","3","3257","3266","10.1021/acsomega.7b02075","","","0.7107","MoKα","","0.0759","0.0457","","","0.0975","0.1098","","","","","","1.144","","","","has coordinates","226172","2020-10-21","18:00:00",""
"4516185","14.9664","0.0007","17.7611","0.0008","22.4582","0.0011","92.133","0.004","101.334","0.004","106.648","0.004","5580.2","0.5","120","2","120","","","","","","","","","6","P -1","-P 1","2","","","","- C102 H96 N12 O20 Re4 S4 -","- C102 H96 N12 O20 Re4 S4 -","- C204 H192 N24 O40 Re8 S8 -","2","1","","Karthikeyan, Muthuraman; Ramakrishna, Buthanapalli; Vellaiyadevan, Sivalingam; Divya, Dhanaraj; Manimaran, Bala","Amide-Functionalized Chalcogen-Bridged Flexible Tetranuclear Rhenacycles: Synthesis, Characterization, Solvent Effect on the Structure, and Guest Binding.","ACS omega","2018","3","3","3257","3266","10.1021/acsomega.7b02075","","","0.71073","MoKα","","0.0969","0.0556","","","0.1194","0.1349","","","","","","0.957","","","","has coordinates","226172","2020-10-21","18:00:00",""
"4516186","13.305","0.003","21.832","0.004","12.476","0.003","90","","101.87","0.03","90","","3546.5","1.4","100.15","","100.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H29 Ir N6 O2 -","- C40 H29 Ir N6 O2 -","- C160 H116 Ir4 N24 O8 -","4","1","","Chandrasekhar, Vadapalli; Mahanti, Bani; Pandey, Mrituanjay D.; Narayanan, R. Suriya","Cyclometalated Ir(III) Complex as a Metalloligand and a Selective Cu(II) Sensor: Synthesis and Structural Characterization of a Heterometallic Tetranuclear Ir(III)/Cu(II) Complex.","ACS omega","2018","3","3","2786","2792","10.1021/acsomega.8b00042","","","0.71073","MoKα","","0.1407","0.0795","","","0.1448","0.1635","","","","","","0.952","","","","has coordinates","226173","2020-10-21","18:00:00",""
"4516187","12.147","0.002","12.958","0.002","14.044","0.003","75.832","0.003","67.388","0.003","74.135","0.003","1938.5","0.6","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C80 H56 Cl2 Cu2 Ir2 N12 O4 -","- C80 H56 Cl2 Cu2 Ir2 N12 O4 -","- C80 H56 Cl2 Cu2 Ir2 N12 O4 -","1","0.5","","Chandrasekhar, Vadapalli; Mahanti, Bani; Pandey, Mrituanjay D.; Narayanan, R. Suriya","Cyclometalated Ir(III) Complex as a Metalloligand and a Selective Cu(II) Sensor: Synthesis and Structural Characterization of a Heterometallic Tetranuclear Ir(III)/Cu(II) Complex.","ACS omega","2018","3","3","2786","2792","10.1021/acsomega.8b00042","","","0.71073","MoKα","","0.0455","0.0392","","","0.1048","0.1087","","","","","","1.084","","","","has coordinates","226173","2020-10-21","18:00:00",""
"4516188","9.0272","0.0006","29.178","0.002","18.4176","0.0014","90","","99.641","0.002","90","","4782.6","0.6","130","2","130.01","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C112 H124 Ir2 N10 O4 -","- C108 H123.58 Ir2 N10 O5.79 -","- C216 H247.16 Ir4 N20 O11.58 -","2","1","","Huckaba, Aron J.; Senes, Alessia; Aghazada, Sadig; Babaei, Azin; Meskers, Stefan C. J.; Zimmermann, Iwan; Schouwink, Pascal; Gasilova, Natalia; Janssen, René A J; Bolink, Henk J.; Nazeeruddin, Mohammad Khaja","Bis(arylimidazole) Iridium Picolinate Emitters and Preferential Dipole Orientation in Films.","ACS omega","2018","3","3","2673","2682","10.1021/acsomega.8b00137","","","0.71073","MoKα","","0.0563","0.0532","","","0.1042","0.1056","","","","","","1.249","","","","has coordinates","226174","2020-10-21","18:00:00",""
"4516189","18.644","0.003","8.9321","0.0013","25.915","0.004","90","","96.994","0.005","90","","4283.5","1.1","99.69","","99.69","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C49 H52 Ir N5 O2 -","- C49 H52 Ir N5 O2 -","- C196 H208 Ir4 N20 O8 -","4","1","","Huckaba, Aron J.; Senes, Alessia; Aghazada, Sadig; Babaei, Azin; Meskers, Stefan C. J.; Zimmermann, Iwan; Schouwink, Pascal; Gasilova, Natalia; Janssen, René A J; Bolink, Henk J.; Nazeeruddin, Mohammad Khaja","Bis(arylimidazole) Iridium Picolinate Emitters and Preferential Dipole Orientation in Films.","ACS omega","2018","3","3","2673","2682","10.1021/acsomega.8b00137","","","0.71073","MoKα","","0.0754","0.0622","","","0.1593","0.1695","","","","","","1.158","","","","has coordinates","226175","2020-10-21","18:00:00",""
"4516190","19.025","0.011","9.09","0.005","25.534","0.013","90","","96.237","0.013","90","","4390","4","293","2","293.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C98 H104 Ir2 N10 O7 -","- C98 H106 Ir2 N10 O7 -","- C196 H212 Ir4 N20 O14 -","2","0.5","","Huckaba, Aron J.; Senes, Alessia; Aghazada, Sadig; Babaei, Azin; Meskers, Stefan C. J.; Zimmermann, Iwan; Schouwink, Pascal; Gasilova, Natalia; Janssen, René A J; Bolink, Henk J.; Nazeeruddin, Mohammad Khaja","Bis(arylimidazole) Iridium Picolinate Emitters and Preferential Dipole Orientation in Films.","ACS omega","2018","3","3","2673","2682","10.1021/acsomega.8b00137","","","0.71073","MoKα","","0.0824","0.0576","","","0.1096","0.1195","","","","","","1.104","","","","has coordinates","226176","2020-10-21","18:00:00",""
"4516191","10.914","0.0015","11.6724","0.0017","9.8263","0.0015","90","","106.975","0.006","90","","1197.3","0.3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H11 Cl N2 -","- C14 H11 Cl N2 -","- C56 H44 Cl4 N8 -","4","1","","Dey, Amrita; Singsardar, Mukta; Sarkar, Rajib; Hajra, Alakananda","Environment-Friendly Protocol for the Chlorination of Imidazoheterocycles by Chloramine-T.","ACS omega","2018","3","3","3513","3521","10.1021/acsomega.7b01844","","","0.71073","MoKα","","0.0959","0.056","","","0.1356","0.1689","","","","","","0.848","","","","has coordinates","301843","2025-08-21","01:58:46",""
"4516192","13.101","0.0017","17.775","0.002","21.174","0.003","90","","93.628","0.005","90","","4920.9","1.1","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Co5POM","Na10[WCo3(H2O)2(CoW9O34)2]","","- Co2.44 Na9 O54 W9.56 -","- Co2.443 Na9 O54 W9.557 -","- Co9.772 Na36 O216 W38.228 -","4","1","","Thakur, Neha; Das Adhikary, Subhasis; Kumar, Mukesh; Mehta, Daisy; Padhan, Anil K.; Mandal, Debaprasad; Nagaiah, Tharamani C.","Ultrasensitive and Highly Selective Electrochemical Detection of Dopamine Using Poly(ionic liquids)-Cobalt Polyoxometalate/CNT Composite.","ACS omega","2018","3","3","2966","2973","10.1021/acsomega.7b02049","","","0.71073","MoKα","","0.0505","0.0384","","","0.0743","0.078","","","","","","1.152","","","","has coordinates,has disorder","226178","2020-10-21","18:00:00",""
"4516193","9.163","0.008","8.368","0.008","24.984","0.016","90","","97.39","0.02","90","","1900","3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H26 N2 O -","- C22 H26 N2 O -","- C88 H104 N8 O4 -","4","1","","Sheng, Lan; Chen, Qiaonan; Wang, Chunyu; Chen, Hongwei; Zhang, Ting; Qin, Tianyou; Li, Minjie; Zhang, Jinyan; Ma, Jing; Zhang, Sean Xiao-An","Oxazolidine Transient Bases as Molecular Platforms for Testing Dynamic CO<sub>2</sub> Capture in Biochemical Systems.","ACS omega","2018","3","3","2883","2894","10.1021/acsomega.7b02028","","","0.71073","MoKα","","0.1657","0.1004","","","0.3007","0.3471","","","","","","1.102","","","","has coordinates","301843","2025-08-21","01:58:46",""
"4516194","21.333","0.013","7.865","0.005","11.834","0.008","90","","100.552","0.014","90","","1952","2","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H25 N3 O3 -","- C22 H25 N3 O3 -","- C88 H100 N12 O12 -","4","1","","Sheng, Lan; Chen, Qiaonan; Wang, Chunyu; Chen, Hongwei; Zhang, Ting; Qin, Tianyou; Li, Minjie; Zhang, Jinyan; Ma, Jing; Zhang, Sean Xiao-An","Oxazolidine Transient Bases as Molecular Platforms for Testing Dynamic CO<sub>2</sub> Capture in Biochemical Systems.","ACS omega","2018","3","3","2883","2894","10.1021/acsomega.7b02028","","","0.71073","MoKα","","0.1497","0.1103","","","0.3092","0.3416","","","","","","1.016","","","","has coordinates","301843","2025-08-21","01:58:46",""
"4516195","23.398","0.003","7.4277","0.001","12.2111","0.0014","90","","92.075","0.004","90","","2120.8","0.5","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H28 N2 O3 S -","- C23 H28 N2 O3 S -","- C92 H112 N8 O12 S4 -","4","1","","Sheng, Lan; Chen, Qiaonan; Wang, Chunyu; Chen, Hongwei; Zhang, Ting; Qin, Tianyou; Li, Minjie; Zhang, Jinyan; Ma, Jing; Zhang, Sean Xiao-An","Oxazolidine Transient Bases as Molecular Platforms for Testing Dynamic CO<sub>2</sub> Capture in Biochemical Systems.","ACS omega","2018","3","3","2883","2894","10.1021/acsomega.7b02028","","","0.71073","MoKα","","0.1076","0.0536","","","0.1227","0.1646","","","","","","0.983","","","","has coordinates","301843","2025-08-21","01:58:46",""
"4516827","12.921","0.0016","11.018","0.002","8.199","0.003","90","","93.83","0.03","90","","1164.6","0.5","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H6 Dy N O8 -","- C10 H6 Dy N O8 -","- C40 H24 Dy4 N4 O32 -","4","1","","Liu, Cai-Ming; Zhang, Deqing; Hao, Xiang; Zhu, Dao-Ben","Field-Induced Relaxation of Magnetization in a Three-Dimensional LnMOF with the Second Bridging Ligand Squarate.","ACS omega","2016","1","2","286","292","10.1021/acsomega.6b00083","","","0.71073","MoKα","","0.0271","0.0268","","","0.0662","0.0665","","","","","","1.175","","","","has coordinates","239571","2020-10-21","18:00:00",""
"4516828","9.2469","0.0004","10.8452","0.0004","11.8162","0.0005","102.96","0.004","104.714","0.004","107.837","0.004","1030.64","0.09","291","","291","","","","","","","","","4","P -1","-P 1","2","","2-(1-(1-cyclohexyl-1H-tetrazol-5-yl)-2,2-dimethylpropyl)-3-oxoisoindoline-4-carboxylic acid","","- C21 H27 N5 O3 -","- C21 H27 N5 O3 -","- C42 H54 N10 O6 -","2","1","","Rentería-Gómez, Angel; Islas-Jácome, Alejandro; Cruz-Jiménez, Alicia E; Manzano-Velázquez, Jessica C; Rojas-Lima, Susana; Jiménez-Halla, J Oscar C; Gámez-Montaño, Rocío","Synthesis of 2-Tetrazolylmethyl-isoindolin-1-ones via a One-Pot Ugi-Azide/(N-Acylation/<i>exo</i>-Diels-Alder)/Dehydration Process.","ACS omega","2016","1","5","943","951","10.1021/acsomega.6b00281","","x-ray","1.54184","CuKα","","0.0513","0.0416","","","0.1131","0.1231","","","","","","1.038","","","","has coordinates","301843","2025-08-21","01:58:47",""
"4516829","14.4182","0.0018","6.3712","0.0008","17.213","0.002","90","","90.972","0.001","90","","1581","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H16 Cl N O2 S -","- C16 H16 Cl N O2 S -","- C64 H64 Cl4 N4 O8 S4 -","4","1","","He, Xinwei; Zhou, Yao; Shang, Yongjia; Yang, Cheng; Zuo, Youpeng","Synthesis of 2-Arylimino-6,7-dihydrobenzo[<i>d</i>][1,3]oxathiol-4(5<i>H</i>)-ones via Rh<sub>2</sub>(OAc)<sub>4</sub>-Catalyzed Reactions of Cyclic 2-Diazo-1,3-diketones with Aryl Isothiocyanates.","ACS omega","2016","1","6","1277","1283","10.1021/acsomega.6b00295","","","0.71073","MoKα","","0.0445","0.0372","","","0.1013","0.1073","","","","","","1.054","","","","has coordinates","301843","2025-08-21","01:58:47",""
"4516830","6.08329","0.00007","10.36929","0.00011","28.0962","0.0003","90","","90","","90","","1772.29","0.03","173","2","173.15","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H30 O3 -","- C21 H30 O3 -","- C84 H120 O12 -","4","1","","Zhou, Zhi-Hua; Song, Qing-Wen; He, Liang-Nian","Silver(I)-Promoted Cascade Reaction of Propargylic Alcohols, Carbon Dioxide, and Vicinal Diols: Thermodynamically Favorable Route to Cyclic Carbonates.","ACS omega","2017","2","1","337","345","10.1021/acsomega.6b00407","","x-ray","1.54184","CuKα","","0.0309","0.0305","","","0.0791","0.0792","","","","","","1.08","","","","has coordinates","301843","2025-08-21","01:58:47",""
"4516831","5.654","0.003","13.433","0.012","22.786","0.013","90","","90","","90","","1731","2","200","2","200","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H15 N3 O -","- C23 H15 N3 O -","- C92 H60 N12 O4 -","4","1","","Reddy Kotla, Siva K.; Vandavasi, Jaya Kishore; Wang, Jeh-Jeng; Parang, Keykavous; Tiwari, Rakesh K.","Palladium-Catalyzed Intramolecular Cross-Dehydrogenative Coupling: Synthesis of Fused Imidazo[1,2-<i>a</i>]pyrimidines and Pyrazolo[1,5-<i>a</i>]pyrimidines.","ACS omega","2017","2","1","11","19","10.1021/acsomega.6b00417","","","0.71073","MoKα","","0.2127","0.0726","","","0.1086","0.1405","","","","","","0.987","","","","has coordinates","301843","2025-08-21","01:58:47",""
"4516832","11.8882","0.0007","9.102","0.0005","13.5891","0.0007","90","","94.43","0.03","90","","1466.03","0.15","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H13 N3 O -","- C19 H13 N3 O -","- C76 H52 N12 O4 -","4","1","","Reddy Kotla, Siva K.; Vandavasi, Jaya Kishore; Wang, Jeh-Jeng; Parang, Keykavous; Tiwari, Rakesh K.","Palladium-Catalyzed Intramolecular Cross-Dehydrogenative Coupling: Synthesis of Fused Imidazo[1,2-<i>a</i>]pyrimidines and Pyrazolo[1,5-<i>a</i>]pyrimidines.","ACS omega","2017","2","1","11","19","10.1021/acsomega.6b00417","","","1.34139","GaKα","","0.069","0.0606","","","0.1655","0.1734","","","","","","1.08","","","","has coordinates","301843","2025-08-21","01:58:47",""
"4516833","7.581","0.002","16.404","0.004","16.285","0.005","90","","102.321","0.006","90","","1978.5","0.9","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","[Mn4(Hdtim)4(H2O)8]","2014/6","","- C20 H24 Mn4 N40 O8 -","- C20 H24 Mn4 N40 O8 -","- C40 H48 Mn8 N80 O16 -","2","0.5","","Xu, Jian-Gang; Wang, Shuai-Hua; Zhang, Ming-Jian; Sun, Cai; Xiao, Yu; Li, Rong; Zheng, Fa-Kun; Guo, Guo-Cong; Huang, Jin-Shun","Nitrogen-Rich Tetranuclear Metal Complex as a New Structural Motif for Energetic Materials.","ACS omega","2017","2","1","346","352","10.1021/acsomega.6b00431","","","0.71073","MoKα","","0.1437","0.0699","","","0.1248","0.148","","","","","","1.065","","","","has coordinates","301843","2025-08-21","01:58:47",""
"4516834","7.5445","0.0008","16.0615","0.0018","16.153","0.002","90","","102.219","0.002","90","","1913","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","[Zn4(Hdtm)4(H2O)8]","","","- C20 H24 N40 O8 Zn4 -","- C20 H24 N40 O8 Zn4 -","- C40 H48 N80 O16 Zn8 -","2","0.5","","Xu, Jian-Gang; Wang, Shuai-Hua; Zhang, Ming-Jian; Sun, Cai; Xiao, Yu; Li, Rong; Zheng, Fa-Kun; Guo, Guo-Cong; Huang, Jin-Shun","Nitrogen-Rich Tetranuclear Metal Complex as a New Structural Motif for Energetic Materials.","ACS omega","2017","2","1","346","352","10.1021/acsomega.6b00431","","","0.71073","MoKα","","0.0412","0.0367","","","0.1146","0.1278","","","","","","0.999","","","","has coordinates","301843","2025-08-21","01:58:47",""
"4516835","9.796","","18.22","","22.12","","90","","90","","90","","3948.05","","296","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C20 H14 F6 O4 -","- C20 H14 F6 O4 -","- C160 H112 F48 O32 -","8","1","","Li, Fang-Ling; Wang, Lei; Li, Cui-Hua; Liu, Ning; Dai, Bin","Substrate-Controlled Product Divergence: Silver-Catalyzed Reaction of Trifluoromethyl Ketones with Terminal Alkynes.","ACS omega","2017","2","3","1104","1115","10.1021/acsomega.6b00432","","","0.71073","MoKα","","0.0833","0.039","","","0.0992","0.1262","","","","","","0.984","","","","has coordinates","301843","2025-08-21","01:58:47",""
"4516836","13.957","","8.572","","17.061","","90","","104.7","","90","","1974.36","","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H14 F6 O4 -","- C20 H14 F6 O4 -","- C80 H56 F24 O16 -","4","1","","Li, Fang-Ling; Wang, Lei; Li, Cui-Hua; Liu, Ning; Dai, Bin","Substrate-Controlled Product Divergence: Silver-Catalyzed Reaction of Trifluoromethyl Ketones with Terminal Alkynes.","ACS omega","2017","2","3","1104","1115","10.1021/acsomega.6b00432","","","0.71073","MoKα","","0.0643","0.0412","","","0.1085","0.1255","","","","","","1.005","","","","has coordinates","301843","2025-08-21","01:58:47",""
"4516837","17.0405","0.0003","17.0405","0.0003","28.3198","0.001","90","","90","","90","","8223.5","0.4","100","2","100","2","","","","","","","","7","I -4 c 2","I -4 -2c","120","","","","- C40 H32 B Cl2 Cr F20 O4 -","- C40 H32 B Cl2 Cr F20 O4 -","- C320 H256 B8 Cl16 Cr8 F160 O32 -","8","0.5","","Kim, Eun Ho; Lee, Hyun Mo; Jeong, Myoung Sun; Ryu, Ji Yeon; Lee, Junseong; Lee, Bun Yeoul","Methylaluminoxane-Free Chromium Catalytic System for Ethylene Tetramerization.","ACS omega","2017","2","3","765","773","10.1021/acsomega.6b00506","","","0.71073","MoKα","","0.0752","0.038","","","0.0654","0.0745","","","","","","0.988","","","","has coordinates","239581","2020-10-21","18:00:00",""
"4516838","7.0261","0.0003","28.8953","0.0011","11.939","0.0005","90","","100.211","0.002","90","","2385.48","0.17","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C27 H36 Cr N3 -","- C27 H36 Cr N3 -","- C108 H144 Cr4 N12 -","4","1","","Kim, Eun Ho; Lee, Hyun Mo; Jeong, Myoung Sun; Ryu, Ji Yeon; Lee, Junseong; Lee, Bun Yeoul","Methylaluminoxane-Free Chromium Catalytic System for Ethylene Tetramerization.","ACS omega","2017","2","3","765","773","10.1021/acsomega.6b00506","","","0.71073","MoKα","","0.0348","0.0312","","","0.0923","0.095","","","","","","1.02","","","","has coordinates","239582","2020-10-21","18:00:00",""
"4516839","20.9402","0.0014","17.88","0.0012","17.0227","0.0012","90","","113.683","0.004","90","","5836.7","0.7","100","2","100","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C59 H43 B Cl2 Cr F20 N O2 P2 -","- C59 H43 B Cl2 Cr F20 N O2 P2 -","- C236 H172 B4 Cl8 Cr4 F80 N4 O8 P8 -","4","1","","Kim, Eun Ho; Lee, Hyun Mo; Jeong, Myoung Sun; Ryu, Ji Yeon; Lee, Junseong; Lee, Bun Yeoul","Methylaluminoxane-Free Chromium Catalytic System for Ethylene Tetramerization.","ACS omega","2017","2","3","765","773","10.1021/acsomega.6b00506","","","0.71073","MoKα","","0.1355","0.0624","","","0.1433","0.1759","","","","","","0.995","","","","has coordinates","239583","2020-10-21","18:00:00",""
"4516840","10.5859","0.0004","27.5961","0.0011","25.9776","0.0011","90","","97.937","0.003","90","","7516.1","0.5","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C78.5 H55 B Cl3 Cr F20 N2 P4 -","- C78.5 H55 B Cl3 Cr F20 N2 P4 -","- C314 H220 B4 Cl12 Cr4 F80 N8 P16 -","4","1","","Kim, Eun Ho; Lee, Hyun Mo; Jeong, Myoung Sun; Ryu, Ji Yeon; Lee, Junseong; Lee, Bun Yeoul","Methylaluminoxane-Free Chromium Catalytic System for Ethylene Tetramerization.","ACS omega","2017","2","3","765","773","10.1021/acsomega.6b00506","","","0.71073","MoKα","","0.1662","0.1116","","","0.2752","0.313","","","","","","1.081","","","","has coordinates","239584","2020-10-21","18:00:00",""
"4516841","10.9963","0.0005","17.015","0.0008","19.1408","0.0009","90","","105.158","0.002","90","","3456.7","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H12 Ag B F20 N4 -","- C32 H12 Ag B F20 N4 -","- C128 H48 Ag4 B4 F80 N16 -","4","1","","Kim, Eun Ho; Lee, Hyun Mo; Jeong, Myoung Sun; Ryu, Ji Yeon; Lee, Junseong; Lee, Bun Yeoul","Methylaluminoxane-Free Chromium Catalytic System for Ethylene Tetramerization.","ACS omega","2017","2","3","765","773","10.1021/acsomega.6b00506","","","0.71073","MoKα","","0.0557","0.0396","","","0.0979","0.1059","","","","","","1.001","","","","has coordinates","301843","2025-08-21","01:58:47",""
"4516842","8.7648","0.0003","15.8313","0.0004","13.7699","0.0004","90","","92.006","0.001","90","","1909.52","0.1","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H20 Cl2 N2 Ni -","- C21 H20 Cl2 N2 Ni -","- C84 H80 Cl8 N8 Ni4 -","4","1","","Sasi, Divya; Ramkumar, Venkatachalam; Murthy, Narasimha N.","Bite-Angle-Regulated Coordination Geometries: Tetrahedral and Trigonal Bipyramidal in Ni(II) with Biphenyl-Appended (2-Pyridyl)alkylamine <i>N</i>,<i>N</i>'-Bidentate Ligands.","ACS omega","2017","2","6","2474","2481","10.1021/acsomega.7b00119","","","0.71073","MoKα","","0.0438","0.0318","","","0.0763","0.083","","","","","","1.033","","","","has coordinates","239586","2020-10-21","18:00:00",""
"4516843","8.8898","0.0002","16.2357","0.0005","13.6964","0.0004","90","","92.812","0.001","90","","1974.45","0.09","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H20 Br2 N2 Ni -","- C21 H20 Br2 N2 Ni -","- C84 H80 Br8 N8 Ni4 -","4","1","","Sasi, Divya; Ramkumar, Venkatachalam; Murthy, Narasimha N.","Bite-Angle-Regulated Coordination Geometries: Tetrahedral and Trigonal Bipyramidal in Ni(II) with Biphenyl-Appended (2-Pyridyl)alkylamine <i>N</i>,<i>N</i>'-Bidentate Ligands.","ACS omega","2017","2","6","2474","2481","10.1021/acsomega.7b00119","","","0.71073","MoKα","","0.0461","0.028","","","0.0639","0.071","","","","","","1.025","","","","has coordinates","239586","2020-10-21","18:00:00",""
"4516844","10.6392","0.0002","13.9963","0.0002","14.0566","0.0003","90","","93.891","0.001","90","","2088.34","0.07","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H20 I2 N2 Ni -","- C21 H20 I2 N2 Ni -","- C84 H80 I8 N8 Ni4 -","4","1","","Sasi, Divya; Ramkumar, Venkatachalam; Murthy, Narasimha N.","Bite-Angle-Regulated Coordination Geometries: Tetrahedral and Trigonal Bipyramidal in Ni(II) with Biphenyl-Appended (2-Pyridyl)alkylamine <i>N</i>,<i>N</i>'-Bidentate Ligands.","ACS omega","2017","2","6","2474","2481","10.1021/acsomega.7b00119","","","0.71073","MoKα","","0.0515","0.0343","","","0.0728","0.0797","","","","","","1.023","","","","has coordinates","239586","2020-10-21","18:00:00",""
"4516845","14.9404","0.0009","14.3046","0.0009","18.9865","0.0008","90","","101.592","0.002","90","","3975","0.4","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C41 H38 Cl4 N4 Ni O4 -","- C41 H38 Cl4 N4 Ni O4 -","- C164 H152 Cl16 N16 Ni4 O16 -","4","1","","Sasi, Divya; Ramkumar, Venkatachalam; Murthy, Narasimha N.","Bite-Angle-Regulated Coordination Geometries: Tetrahedral and Trigonal Bipyramidal in Ni(II) with Biphenyl-Appended (2-Pyridyl)alkylamine <i>N</i>,<i>N</i>'-Bidentate Ligands.","ACS omega","2017","2","6","2474","2481","10.1021/acsomega.7b00119","","","0.71073","MoKα","","0.0831","0.0563","","","0.1421","0.1579","","","","","","1.055","","","","has coordinates,has disorder","239586","2020-10-21","18:00:00",""
"4516846","14.9042","0.0009","14.4103","0.0009","19.0672","0.0009","90","","101.68","0.002","90","","4010.3","0.4","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C41 H38 Br Cl3 N4 Ni O4 -","- C41 H38 Br Cl3.002 N4 Ni O4 -","- C164 H152 Br4 Cl12.008 N16 Ni4 O16 -","4","1","","Sasi, Divya; Ramkumar, Venkatachalam; Murthy, Narasimha N.","Bite-Angle-Regulated Coordination Geometries: Tetrahedral and Trigonal Bipyramidal in Ni(II) with Biphenyl-Appended (2-Pyridyl)alkylamine <i>N</i>,<i>N</i>'-Bidentate Ligands.","ACS omega","2017","2","6","2474","2481","10.1021/acsomega.7b00119","","","0.71073","MoKα","","0.0862","0.0438","","","0.0924","0.1098","","","","","","1","","","","has coordinates,has disorder","239586","2020-10-21","18:00:00",""
"4516847","9.8216","0.0005","10.4129","0.0005","18.4809","0.0009","86.609","0.003","77.757","0.003","82.462","0.003","1830.16","0.16","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C40 H36 Cl I N4 Ni O4 -","- C40 H36 Cl I N4 Ni O4 -","- C80 H72 Cl2 I2 N8 Ni2 O8 -","2","1","","Sasi, Divya; Ramkumar, Venkatachalam; Murthy, Narasimha N.","Bite-Angle-Regulated Coordination Geometries: Tetrahedral and Trigonal Bipyramidal in Ni(II) with Biphenyl-Appended (2-Pyridyl)alkylamine <i>N</i>,<i>N</i>'-Bidentate Ligands.","ACS omega","2017","2","6","2474","2481","10.1021/acsomega.7b00119","","","0.71073","MoKα","","0.0923","0.0518","","","0.1385","0.1608","","","","","","1.029","","","","has coordinates","239586","2020-10-21","18:00:00",""
"4516848","6.4312","0.00013","22.8417","0.0005","15.8232","0.0003","90","","95.972","0.002","90","","2311.81","0.08","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H27 N3 O -","- C30 H27 N3 O -","- C120 H108 N12 O4 -","4","1","","Melekhova, Anna A.; Smirnov, Andrey S.; Novikov, Alexander S.; Panikorovskii, Taras L.; Bokach, Nadezhda A.; Kukushkin, Vadim Yu","Copper(I)-Catalyzed 1,3-Dipolar Cycloaddition of Ketonitrones to Dialkylcyanamides: A Step toward Sustainable Generation of 2,3-Dihydro-1,2,4-oxadiazoles.","ACS omega","2017","2","4","1380","1391","10.1021/acsomega.7b00130","","x-ray","1.54184","CuKα","","0.0404","0.0371","","","0.1009","0.1055","","","","","","1.002","","","","has coordinates","301843","2025-08-21","01:58:47",""
"4516849","14.5573","0.0016","8.6999","0.0009","12.7827","0.0014","90","","96.586","0.01","90","","1608.2","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H21 N3 O -","- C19 H21 N3 O -","- C76 H84 N12 O4 -","4","1","","Melekhova, Anna A.; Smirnov, Andrey S.; Novikov, Alexander S.; Panikorovskii, Taras L.; Bokach, Nadezhda A.; Kukushkin, Vadim Yu","Copper(I)-Catalyzed 1,3-Dipolar Cycloaddition of Ketonitrones to Dialkylcyanamides: A Step toward Sustainable Generation of 2,3-Dihydro-1,2,4-oxadiazoles.","ACS omega","2017","2","4","1380","1391","10.1021/acsomega.7b00130","","","0.7107","MoKα","","0.0709","0.0558","","","0.1305","0.1427","","","","","","1.057","","","","has coordinates","301843","2025-08-21","01:58:47",""
"4516850","16.8731","0.0005","13.9085","0.0004","21.1754","0.0006","90","","93.668","0.003","90","","4959.3","0.2","100","2","100","2","","","","","","","","7","I 1 2/c 1","-I 2yc","15","","","","- C56 H52 B2 Cu F8 N4 O4 -","- C56 H52 B2 Cu F8 N4 O4 -","- C224 H208 B8 Cu4 F32 N16 O16 -","4","0.5","","Melekhova, Anna A.; Smirnov, Andrey S.; Novikov, Alexander S.; Panikorovskii, Taras L.; Bokach, Nadezhda A.; Kukushkin, Vadim Yu","Copper(I)-Catalyzed 1,3-Dipolar Cycloaddition of Ketonitrones to Dialkylcyanamides: A Step toward Sustainable Generation of 2,3-Dihydro-1,2,4-oxadiazoles.","ACS omega","2017","2","4","1380","1391","10.1021/acsomega.7b00130","","","0.7107","MoKα","","0.0336","0.0297","","","0.1127","0.1175","","","","","","1.021","","","","has coordinates","301843","2025-08-21","01:58:47",""
"4516851","12.1035","0.0006","7.5373","0.0003","24.9505","0.0014","90","","102.083","0.005","90","","2225.75","0.19","100","2","100","2","","","","","","","","4","I 1 2/c 1","-I 2yc","15","","","","- C14 H13 N O -","- C14 H13 N O -","- C112 H104 N8 O8 -","8","1","","Melekhova, Anna A.; Smirnov, Andrey S.; Novikov, Alexander S.; Panikorovskii, Taras L.; Bokach, Nadezhda A.; Kukushkin, Vadim Yu","Copper(I)-Catalyzed 1,3-Dipolar Cycloaddition of Ketonitrones to Dialkylcyanamides: A Step toward Sustainable Generation of 2,3-Dihydro-1,2,4-oxadiazoles.","ACS omega","2017","2","4","1380","1391","10.1021/acsomega.7b00130","","x-ray","1.54184","CuKα","","0.063","0.0425","","","0.1022","0.1117","","","","","","1.044","","","","has coordinates","301843","2025-08-21","01:58:47",""
"4516852","20.8249","0.0004","8.55531","0.00017","24.3304","0.0005","90","","90","","90","","4334.79","0.15","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C28 H26 N3 O -","- C28 H26 N3 O -","- C224 H208 N24 O8 -","8","1","","Melekhova, Anna A.; Smirnov, Andrey S.; Novikov, Alexander S.; Panikorovskii, Taras L.; Bokach, Nadezhda A.; Kukushkin, Vadim Yu","Copper(I)-Catalyzed 1,3-Dipolar Cycloaddition of Ketonitrones to Dialkylcyanamides: A Step toward Sustainable Generation of 2,3-Dihydro-1,2,4-oxadiazoles.","ACS omega","2017","2","4","1380","1391","10.1021/acsomega.7b00130","","x-ray","1.54184","CuKα","","0.0452","0.0388","","","0.125","0.1339","","","","","","1.099","","","","has coordinates","239591","2020-10-21","18:00:00",""
"4516853","7.51","0.005","18.28","0.006","9.683","0.004","90","","107.65","0.04","90","","1266.7","1.1","296","","296","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H11 Br2 N -","- C13 H11 Br2 N -","- C52 H44 Br8 N4 -","4","1","","Muragishi, Kengo; Asahara, Haruyasu; Nishiwaki, Nagatoshi","Hydrohalogenation of Ethynylpyridines Involving Nucleophilic Attack of a Halide Ion.","ACS omega","2017","2","4","1265","1272","10.1021/acsomega.7b00133","","","0.71069","MoKα","","","0.0618","","","","0.1793","","","","","","1.034","","","","has coordinates","301843","2025-08-21","01:58:47",""
"4516854","8.818","0.002","11.378","0.003","11.618","0.003","90","","100.853","0.017","90","","1144.8","0.5","296","","296","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H10 Cl N -","- C13 H10 Cl N -","- C52 H40 Cl4 N4 -","4","1","","Muragishi, Kengo; Asahara, Haruyasu; Nishiwaki, Nagatoshi","Hydrohalogenation of Ethynylpyridines Involving Nucleophilic Attack of a Halide Ion.","ACS omega","2017","2","4","1265","1272","10.1021/acsomega.7b00133","","","0.71069","MoKα","","","0.0478","","","","0.163","","","","","","1.07","","","","has coordinates","301843","2025-08-21","01:58:47",""
"4516855","5.5786","0.0008","7.5398","0.0011","23.223","0.004","90","","90","","90","","976.8","0.3","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H12 N2 O -","- C11 H12 N2 O -","- C44 H48 N8 O4 -","4","1","","Vellé, Alba; Cebollada, Andrea; Macías, Ramón; Iglesias, Manuel; Gil-Moles, María; Sanz Miguel, Pablo J.","From Imidazole toward Imidazolium Salts and N-Heterocyclic Carbene Ligands: Electronic and Geometrical Redistribution.","ACS omega","2017","2","4","1392","1399","10.1021/acsomega.7b00138","","","0.71073","MoKα","","0.0597","0.0451","","","0.1127","0.1209","","","","","","1.068","","","","has coordinates","301843","2025-08-21","01:58:47",""
"4516856","9.9925","0.0006","17.2375","0.001","14.6398","0.0008","90","","94.895","0.001","90","","2512.4","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H24 I2 N4 O2 Pd -","- C23 H24 I2 N4 O2 Pd -","- C92 H96 I8 N16 O8 Pd4 -","4","1","","Vellé, Alba; Cebollada, Andrea; Macías, Ramón; Iglesias, Manuel; Gil-Moles, María; Sanz Miguel, Pablo J.","From Imidazole toward Imidazolium Salts and N-Heterocyclic Carbene Ligands: Electronic and Geometrical Redistribution.","ACS omega","2017","2","4","1392","1399","10.1021/acsomega.7b00138","","","0.71073","MoKα","","0.0398","0.0311","","","0.093","0.1001","","","","","","1.041","","","","has coordinates","239595","2020-10-21","18:00:00",""
"4516857","5.6463","0.0003","8.2933","0.0004","26.5684","0.0014","90","","93.68","0.001","90","","1241.54","0.11","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C11 H13 B F4 N2 O -","- C11 H13 B F4 N2 O -","- C44 H52 B4 F16 N8 O4 -","4","1","","Vellé, Alba; Cebollada, Andrea; Macías, Ramón; Iglesias, Manuel; Gil-Moles, María; Sanz Miguel, Pablo J.","From Imidazole toward Imidazolium Salts and N-Heterocyclic Carbene Ligands: Electronic and Geometrical Redistribution.","ACS omega","2017","2","4","1392","1399","10.1021/acsomega.7b00138","","","0.71073","MoKα","","0.055","0.0417","","","0.0981","0.1071","","","","","","1.069","","","","has coordinates","301843","2025-08-21","01:58:47",""
"4516858","36.0917","0.0015","5.1773","0.0002","13.821","0.0006","90","","91.583","0.001","90","","2581.57","0.18","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C23 H26 I2 N4 O2 -","- C23 H26 I2 N4 O2 -","- C92 H104 I8 N16 O8 -","4","0.5","","Vellé, Alba; Cebollada, Andrea; Macías, Ramón; Iglesias, Manuel; Gil-Moles, María; Sanz Miguel, Pablo J.","From Imidazole toward Imidazolium Salts and N-Heterocyclic Carbene Ligands: Electronic and Geometrical Redistribution.","ACS omega","2017","2","4","1392","1399","10.1021/acsomega.7b00138","","","0.71073","MoKα","","0.0243","0.0209","","","0.0659","0.0698","","","","","","0.991","","","","has coordinates","301843","2025-08-21","01:58:47",""
"4516859","7.3415","0.0001","10.2832","0.0001","17.6002","0.0002","90","","90","","90","","1328.71","0.03","100","2","100","2","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H15 N O3 -","- C17 H15 N O3 -","- C68 H60 N4 O12 -","4","1","","Aranzamendi, Eider; Sotomayor, Nuria; Lete, Esther","Phenolic Activation in Chiral Brønsted Acid-Catalyzed Intramolecular α-Amidoalkylation Reactions for the Synthesis of Fused Isoquinolines.","ACS omega","2017","2","6","2706","2718","10.1021/acsomega.7b00170","","x-ray","1.54184","CuKα","","0.026","0.0254","","","0.065","0.0655","","","","","","1.055","","","","has coordinates","301843","2025-08-21","01:58:47",""
"4516860","22.9275","0.0011","10.705","0.0004","30.4859","0.001","90","","90","","90","","7482.4","0.5","100","0.1","100","0.1","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C62 H88 Cu4 N8 Na3 O30 P -","- C62 H58 Cu4 N8 Na3 O30 P -","- C248 H232 Cu16 N32 Na12 O120 P4 -","4","0.5","","Haldar, Shobhraj; Vijaykumar, Gonela; Carrella, Luca; Batha, Steven; Musie, Ghezai T.; Bera, Manindranath","Inorganic Phosphate and Arsenate within New Tetranuclear Copper and Zinc Complexes: Syntheses, Crystal Structures, Magnetic, Electrochemical, and Thermal Studies.","ACS omega","2017","2","4","1535","1549","10.1021/acsomega.7b00189","","x-ray","0.71073","MoKα","","0.1093","0.0722","","","0.175","0.1977","","","","","","1.061","","","","has coordinates,has disorder","239599","2020-10-21","18:00:00",""
"4516861","23.4332","0.0006","10.3864","0.0003","30.7434","0.0009","90","","90","","90","","7482.5","0.4","100","0.1","100","0.1","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C62 H92.3 As Cu4 K2 N8 O31.67 -","- C62 H58 As Cu4 K2 N8 O31.67 -","- C248 H232 As4 Cu16 K8 N32 O126.68 -","4","0.5","","Haldar, Shobhraj; Vijaykumar, Gonela; Carrella, Luca; Batha, Steven; Musie, Ghezai T.; Bera, Manindranath","Inorganic Phosphate and Arsenate within New Tetranuclear Copper and Zinc Complexes: Syntheses, Crystal Structures, Magnetic, Electrochemical, and Thermal Studies.","ACS omega","2017","2","4","1535","1549","10.1021/acsomega.7b00189","","x-ray","0.71073","MoKα","","0.0538","0.0479","","","0.1321","0.1364","","","","","","1.109","","","","has coordinates,has disorder","239600","2020-10-21","18:00:00",""
"4516862","32.2177","0.0015","13.35","0.0006","39.051","0.002","90","","108.074","0.006","90","","15967.3","1.4","100","2","100","","","","","","","","","8","I 1 2/a 1","-I 2ya","15","","","","- C62 H90 Cl3 N8 Na O28.5 P Zn4 -","- C62 H58 Cl3 N8 Na O28.5 P Zn4 -","- C496 H464 Cl24 N64 Na8 O228 P8 Zn32 -","8","1","","Haldar, Shobhraj; Vijaykumar, Gonela; Carrella, Luca; Batha, Steven; Musie, Ghezai T.; Bera, Manindranath","Inorganic Phosphate and Arsenate within New Tetranuclear Copper and Zinc Complexes: Syntheses, Crystal Structures, Magnetic, Electrochemical, and Thermal Studies.","ACS omega","2017","2","4","1535","1549","10.1021/acsomega.7b00189","","","1.54184","CuKα","","0.1141","0.0977","","","0.2794","0.2989","","","","","","1.043","","","","has coordinates,has disorder","239601","2020-10-21","18:00:00",""
"4516863","12.3561","0.0009","21.5867","0.0016","25.9119","0.0019","90","","97.685","0.001","90","","6849.3","0.9","90","","90","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C71 H62 Br4 Cl2 O3 P2 Pd2 -","- C71 H62 Br4 Cl2 O3 P2 Pd2 -","- C284 H248 Br16 Cl8 O12 P8 Pd8 -","4","1","","Leung, Franco King-Chi; Ishiwari, Fumitaka; Shoji, Yoshiaki; Nishikawa, Tsuyoshi; Takeda, Ryohei; Nagata, Yuuya; Suginome, Michinori; Uozumi, Yasuhiro; Yamada, Yoichi M. A.; Fukushima, Takanori","Synthesis and Catalytic Applications of a Triptycene-Based Monophosphine Ligand for Palladium-Mediated Organic Transformations.","ACS omega","2017","2","5","1930","1937","10.1021/acsomega.7b00200","","","0.71073","MoKα","","0.044","0.0377","","","0.099","0.1037","","","","","","1.025","","","","has coordinates,has disorder","239602","2020-10-21","18:00:00",""
"4516864","10.4695","0.0007","13.2135","0.0007","20.0206","0.0011","80.529","0.004","75.371","0.005","72.857","0.005","2548.6","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C56 H74 Al2 N2 P2 -","- C56 H74 Al2 N2 P2 -","- C112 H148 Al4 N4 P4 -","2","1","","Ding, Shuang; Li, Jiancheng; Liu, Rui; Fu, Gang; Zhu, Hongping; Liu, Weiping; Ye, Qingsong","N-Geminal P/Al Lewis Pair-Alkyne Dipolar Cycloaddition to the Zwitterionic C<sub>2</sub>PNAl-Heterocyclopentene.","ACS omega","2017","2","6","2405","2414","10.1021/acsomega.7b00236","","","0.71073","MoKα","","0.0827","0.0603","","","0.1264","0.1355","","","","","","1.053","","","","has coordinates","239603","2020-10-21","18:00:00",""
"4516865","8.86","0.0002","17.185","0.0004","18.9406","0.0005","90","","96.662","0.002","90","","2864.41","0.12","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H43 Al N P -","- C32 H43 Al N P -","- C128 H172 Al4 N4 P4 -","4","1","","Ding, Shuang; Li, Jiancheng; Liu, Rui; Fu, Gang; Zhu, Hongping; Liu, Weiping; Ye, Qingsong","N-Geminal P/Al Lewis Pair-Alkyne Dipolar Cycloaddition to the Zwitterionic C<sub>2</sub>PNAl-Heterocyclopentene.","ACS omega","2017","2","6","2405","2414","10.1021/acsomega.7b00236","","","0.71073","MoKα","","0.0547","0.0446","","","0.1034","0.1084","","","","","","1.033","","","","has coordinates,has disorder","239603","2020-10-21","18:00:00",""
"4516866","9.0888","0.0005","12.6922","0.0008","18.1397","0.001","81.178","0.005","75.876","0.005","71.478","0.005","1917.6","0.2","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H53 Al N P -","- C44 H53 Al N P -","- C88 H106 Al2 N2 P2 -","2","1","","Ding, Shuang; Li, Jiancheng; Liu, Rui; Fu, Gang; Zhu, Hongping; Liu, Weiping; Ye, Qingsong","N-Geminal P/Al Lewis Pair-Alkyne Dipolar Cycloaddition to the Zwitterionic C<sub>2</sub>PNAl-Heterocyclopentene.","ACS omega","2017","2","6","2405","2414","10.1021/acsomega.7b00236","","","0.71073","MoKα","","0.0516","0.0415","","","0.0984","0.1029","","","","","","1.017","","","","has coordinates","239603","2020-10-21","18:00:00",""
"4516867","22.224","0.001","10.3811","0.0003","19.8887","0.0008","90","","106.535","0.004","90","","4398.8","0.3","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C48 H60 Al N P Si -","- C48 H60 Al N P Si -","- C192 H240 Al4 N4 P4 Si4 -","4","1","","Ding, Shuang; Li, Jiancheng; Liu, Rui; Fu, Gang; Zhu, Hongping; Liu, Weiping; Ye, Qingsong","N-Geminal P/Al Lewis Pair-Alkyne Dipolar Cycloaddition to the Zwitterionic C<sub>2</sub>PNAl-Heterocyclopentene.","ACS omega","2017","2","6","2405","2414","10.1021/acsomega.7b00236","","","0.71073","MoKα","","0.0651","0.0507","","","0.117","0.1236","","","","","","1.035","","","","has coordinates,has disorder","239603","2020-10-21","18:00:00",""
"4516868","11.2201","0.0003","17.0091","0.0005","34.4339","0.0012","90","","90","","90","","6571.5","0.3","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C66 H94 Al2 N2 P2 Si2 -","- C66 H94 Al2 N2 P2 Si2 -","- C264 H376 Al8 N8 P8 Si8 -","4","1","","Ding, Shuang; Li, Jiancheng; Liu, Rui; Fu, Gang; Zhu, Hongping; Liu, Weiping; Ye, Qingsong","N-Geminal P/Al Lewis Pair-Alkyne Dipolar Cycloaddition to the Zwitterionic C<sub>2</sub>PNAl-Heterocyclopentene.","ACS omega","2017","2","6","2405","2414","10.1021/acsomega.7b00236","","","0.71073","MoKα","","0.0512","0.0448","","","0.0954","0.0985","","","","","","1.101","","","","has coordinates,has disorder","239603","2020-10-21","18:00:00",""
"4516869","9.8448","0.0002","21.6758","0.0004","18.8506","0.0004","90","","103.603","0.002","90","","3909.76","0.14","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C43 H51 Al Br N P -","- C43 H51 Al Br N P -","- C172 H204 Al4 Br4 N4 P4 -","4","1","","Ding, Shuang; Li, Jiancheng; Liu, Rui; Fu, Gang; Zhu, Hongping; Liu, Weiping; Ye, Qingsong","N-Geminal P/Al Lewis Pair-Alkyne Dipolar Cycloaddition to the Zwitterionic C<sub>2</sub>PNAl-Heterocyclopentene.","ACS omega","2017","2","6","2405","2414","10.1021/acsomega.7b00236","","","1.54178","CuKα","","0.0413","0.0381","","","0.0971","0.1009","","","","","","1.032","","","","has coordinates","239603","2020-10-21","18:00:00",""
"4516870","12.8768","0.0004","15.7414","0.0005","16.2486","0.0006","90","","102.37","0.003","90","","3217.11","0.19","193","2","193","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C35 H41 Al Br N2 P -","- C35 H41 Al Br N2 P -","- C140 H164 Al4 Br4 N8 P4 -","4","1","","Ding, Shuang; Li, Jiancheng; Liu, Rui; Fu, Gang; Zhu, Hongping; Liu, Weiping; Ye, Qingsong","N-Geminal P/Al Lewis Pair-Alkyne Dipolar Cycloaddition to the Zwitterionic C<sub>2</sub>PNAl-Heterocyclopentene.","ACS omega","2017","2","6","2405","2414","10.1021/acsomega.7b00236","","","1.54178","CuKα","","0.0589","0.0535","","","0.1359","0.1453","","","","","","1.039","","","","has coordinates","239603","2020-10-21","18:00:00",""
"4516871","10.4534","0.0002","21.1539","0.0005","17.4007","0.0004","90","","94.825","0.002","90","","3834.18","0.15","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C41 H56 Al N3 P -","- C41 H56 Al N3 P -","- C164 H224 Al4 N12 P4 -","4","1","","Ding, Shuang; Li, Jiancheng; Liu, Rui; Fu, Gang; Zhu, Hongping; Liu, Weiping; Ye, Qingsong","N-Geminal P/Al Lewis Pair-Alkyne Dipolar Cycloaddition to the Zwitterionic C<sub>2</sub>PNAl-Heterocyclopentene.","ACS omega","2017","2","6","2405","2414","10.1021/acsomega.7b00236","","","0.71073","MoKα","","0.0605","0.0492","","","0.1203","0.1264","","","","","","1.027","","","","has coordinates,has disorder","239603","2020-10-21","18:00:00",""
"4516872","3.7419","0.0004","8.4966","0.0009","20.448","0.002","90","","90.597","0.003","90","","650.08","0.12","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H6 N4 O4 -","- C16 H6 N4 O4 -","- C32 H12 N8 O8 -","2","1","","Glöcklhofer, Florian; Morawietz, Andreas J.; Stöger, Berthold; Unterlass, Miriam M.; Fröhlich, Johannes","Extending the Scope of a New Cyanation: Design and Synthesis of an Anthracene Derivative with an Exceptionally Low LUMO Level and Improved Solubility.","ACS omega","2017","2","4","1594","1600","10.1021/acsomega.7b00245","","x-ray","0.71073","MoKα","","0.0563","0.0464","","","0.0697","0.0725","","","","1.61","1.61","1.54","","","","has coordinates","301843","2025-08-21","01:58:47",""
"4516873","7.4784","0.0011","8.6549","0.0012","20.629","0.003","90","","94.493","0.004","90","","1331.1","0.3","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H6 Br N3 O4 -","- C15 H6 Br N3 O4 -","- C60 H24 Br4 N12 O16 -","4","1","","Glöcklhofer, Florian; Morawietz, Andreas J.; Stöger, Berthold; Unterlass, Miriam M.; Fröhlich, Johannes","Extending the Scope of a New Cyanation: Design and Synthesis of an Anthracene Derivative with an Exceptionally Low LUMO Level and Improved Solubility.","ACS omega","2017","2","4","1594","1600","10.1021/acsomega.7b00245","","x-ray","0.71073","MoKα","","0.0446","0.0289","","","0.0392","0.042","","","","1.38","1.38","1.3","","","","has coordinates","301843","2025-08-21","01:58:47",""
"4516874","10.4594","0.0008","12.3954","0.001","26.28","0.002","90","","95.388","0.001","90","","3392.1","0.5","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C38 H32 B Cl2 F2 N3 O5 -","- C38 H32 B Cl2 F2 N3 O5 -","- C152 H128 B4 Cl8 F8 N12 O20 -","4","1","","Wang, Jun; Wu, Yayang; Sheng, Wanle; Yu, Changjiang; Wei, Yun; Hao, Erhong; Jiao, Lijuan","Synthesis, Structure, and Properties of β-Vinyl Ketone/Ester Functionalized AzaBODIPYs from FormylazaBODIPYs.","ACS omega","2017","2","6","2568","2576","10.1021/acsomega.7b00393","","","0.71073","MoKα","","0.1113","0.0824","","","0.2326","0.2571","","","","","","1.082","","","","has coordinates,has disorder","239605","2020-10-21","18:00:00",""
"4516875","10.5005","0.0014","10.9651","0.0014","14.867","0.0019","90.158","0.002","104.416","0.001","102.641","0.002","1614.7","0.4","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C36 H28 B Cl2 F2 N3 O3 -","- C36 H28 B Cl2 F2 N3 O3 -","- C72 H56 B2 Cl4 F4 N6 O6 -","2","1","","Wang, Jun; Wu, Yayang; Sheng, Wanle; Yu, Changjiang; Wei, Yun; Hao, Erhong; Jiao, Lijuan","Synthesis, Structure, and Properties of β-Vinyl Ketone/Ester Functionalized AzaBODIPYs from FormylazaBODIPYs.","ACS omega","2017","2","6","2568","2576","10.1021/acsomega.7b00393","","","0.71073","MoKα","","0.0729","0.0553","","","0.1492","0.1644","","","","","","1.064","","","","has coordinates,has disorder","239605","2020-10-21","18:00:00",""
"4516876","11.441","0.012","12.524","0.013","13.818","0.014","95.751","0.013","90.47","0.012","107.762","0.011","1874","3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C41 H36 B F2 N3 O6 -","- C41 H36 B F2 N3 O6 -","- C82 H72 B2 F4 N6 O12 -","2","1","","Wang, Jun; Wu, Yayang; Sheng, Wanle; Yu, Changjiang; Wei, Yun; Hao, Erhong; Jiao, Lijuan","Synthesis, Structure, and Properties of β-Vinyl Ketone/Ester Functionalized AzaBODIPYs from FormylazaBODIPYs.","ACS omega","2017","2","6","2568","2576","10.1021/acsomega.7b00393","","","0.71073","MoKα","","0.2106","0.1117","","","0.2655","0.3285","","","","","","1.007","","","","has coordinates,has disorder","239605","2020-10-21","18:00:00",""
"4516877","10.8724","0.0012","12.3475","0.0014","13.0261","0.0015","106.184","0.001","98.292","0.001","98.518","0.001","1628.9","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C39 H32 B F2 N3 O4 -","- C39 H32 B F2 N3 O4 -","- C78 H64 B2 F4 N6 O8 -","2","1","","Wang, Jun; Wu, Yayang; Sheng, Wanle; Yu, Changjiang; Wei, Yun; Hao, Erhong; Jiao, Lijuan","Synthesis, Structure, and Properties of β-Vinyl Ketone/Ester Functionalized AzaBODIPYs from FormylazaBODIPYs.","ACS omega","2017","2","6","2568","2576","10.1021/acsomega.7b00393","","","0.71073","MoKα","","0.0775","0.0595","","","0.179","0.1987","","","","","","1.037","","","","has coordinates","239605","2020-10-21","18:00:00",""
"4516878","14.079","0.0007","9.5407","0.0004","15.4359","0.0007","90","","111.764","0.001","90","","1925.61","0.15","294","2","294","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H19 N3 O2 -","- C24 H19 N3 O2 -","- C96 H76 N12 O8 -","4","1","","Dwivedi, Vikas; Kumar, Ravi; Sharma, Kavita; Sridhar, Balasubramanian; Reddy, Maddi Sridhar","Copper-Promoted Regioselective Intermolecular Diamination of Ynamides: Synthesis of Imidazo[1,2-<i>a</i>]pyridines.","ACS omega","2017","2","6","2770","2777","10.1021/acsomega.7b00426","","","0.71073","MoKα","","0.0726","0.0569","","","0.1429","0.1532","","","","","","1.049","","","","has coordinates","301843","2025-08-21","01:58:47",""
"4516879","11.975","0.002","6.8162","0.0011","18.711","0.003","90","","98.345","0.004","90","","1511.1","0.4","294","2","294","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H30 F2 N6 O5 -","- C34 H30 F2 N6 O5 -","- C68 H60 F4 N12 O10 -","2","0.5","","Dwivedi, Vikas; Kumar, Ravi; Sharma, Kavita; Sridhar, Balasubramanian; Reddy, Maddi Sridhar","Copper-Promoted Regioselective Intermolecular Diamination of Ynamides: Synthesis of Imidazo[1,2-<i>a</i>]pyridines.","ACS omega","2017","2","6","2770","2777","10.1021/acsomega.7b00426","","","0.71073","MoKα","","0.0975","0.0649","","","0.1483","0.1637","","","","","","1.097","","","","has coordinates","239607","2020-10-21","18:00:00",""
"4516880","5.0999","0.0001","15.0074","0.0006","23.3654","0.0009","90","","90","","90","","1788.3","0.11","293","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H26 N2 O3 -","- C17 H26 N2 O3 -","- C68 H104 N8 O12 -","4","1","","de Castro, Pedro P.; Rimulo, Isabela M. R.; de Almeida, Angelina M.; Diniz, Renata; Amarante, Giovanni W.","Brønsted Acid-Catalyzed Epimerization-Free Preparation of Dual-Protected Amino Acid Derivatives.","ACS omega","2017","2","6","2967","2976","10.1021/acsomega.7b00523","","x-ray","0.71073","MoKα","","0.0852","0.0594","","","0.1638","0.1802","","","","","","1.072","","","","has coordinates,has disorder","301843","2025-08-21","01:58:47",""
"4516881","11.5528","0.0003","12.6752","0.0003","20.7463","0.0004","97.0831","0.0017","96.7463","0.0018","117.036","0.003","2633.08","0.13","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C30 H50 N6 O29 P6 Ru -","- C30 H18 N6 O29 P6 Ru -","- C60 H36 N12 O58 P12 Ru2 -","2","1","","Furugori, Sogo; Kobayashi, Atsushi; Watanabe, Ayako; Yoshida, Masaki; Kato, Masako","Impact of Photosensitizing Multilayered Structure on Ruthenium(II)-Dye-Sensitized TiO<sub>2</sub>-Nanoparticle Photocatalysts.","ACS omega","2017","2","7","3901","3912","10.1021/acsomega.7b00566","","","1.54187","CuKα","","0.0857","0.0771","","","0.2273","0.2383","","","","","","1.057","","","","has coordinates","239609","2020-10-21","18:00:00",""
"4516882","33.259","0.003","33.259","0.003","15.5227","0.0018","90","","90","","120","","14870","3","100","2","100","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C34 H34 N4 O2 -","- C34 H34 N4 O2 -","- C612 H612 N72 O36 -","18","1","","Zhai, Feng; Jordan, Richard F.","Autoxidation of Heterocyclic Aminals.","ACS omega","2017","2","6","3055","3063","10.1021/acsomega.7b00589","","","0.71073","MoKα","","0.0729","0.0529","","","0.1308","0.1406","","","","","","1.055","","","","has coordinates,has disorder","301843","2025-08-21","01:58:47",""
"4516883","22.72","0.003","8.2209","0.0009","17.0117","0.0019","90","","90","","90","","3177.4","0.7","100","2","100","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C22 H16 N2 O2 -","- C22 H16 N2 O2 -","- C176 H128 N16 O16 -","8","2","","Zhai, Feng; Jordan, Richard F.","Autoxidation of Heterocyclic Aminals.","ACS omega","2017","2","6","3055","3063","10.1021/acsomega.7b00589","","","0.71073","MoKα","","0.0731","0.0439","","","0.0834","0.0936","","","","","","1.038","","","","has coordinates","301843","2025-08-21","01:58:47",""
"4516884","9.266","0.0011","15.0394","0.0017","13.5414","0.0016","90","","104.785","0.003","90","","1824.6","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H20 N2 O2 -","- C23 H20 N2 O2 -","- C92 H80 N8 O8 -","4","1","","Zhai, Feng; Jordan, Richard F.","Autoxidation of Heterocyclic Aminals.","ACS omega","2017","2","6","3055","3063","10.1021/acsomega.7b00589","","","0.71073","MoKα","","0.1043","0.0591","","","0.1177","0.1356","","","","","","1.052","","","","has coordinates,has disorder","301843","2025-08-21","01:58:47",""
"4516885","42.788","0.003","42.788","0.003","7.4202","0.0006","90","","90","","120","","11765","1.5","100","2","100","","","","","","","","","4","R -3 :H","-R 3","148","","","","- C23 H20 N2 O4 -","- C23 H20 N2 O4 -","- C414 H360 N36 O72 -","18","1","","Zhai, Feng; Jordan, Richard F.","Autoxidation of Heterocyclic Aminals.","ACS omega","2017","2","6","3055","3063","10.1021/acsomega.7b00589","","","0.71073","MoKα","","0.089","0.0504","","","0.126","0.14","","","","","","1.058","","","","has coordinates","301843","2025-08-21","01:58:47",""
"4516886","7.4731","0.0006","9.404","0.0008","14.367","0.0012","93.623","0.002","100.659","0.002","111.227","0.002","915.54","0.13","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H20 N2 O3 -","- C23 H20 N2 O3 -","- C46 H40 N4 O6 -","2","1","","Zhai, Feng; Jordan, Richard F.","Autoxidation of Heterocyclic Aminals.","ACS omega","2017","2","6","3055","3063","10.1021/acsomega.7b00589","","","0.71073","MoKα","","0.0639","0.0443","","","0.1062","0.1161","","","","","","1.024","","","","has coordinates","301843","2025-08-21","01:58:47",""
"4516887","18.3177","0.0014","11.2752","0.0009","26.814","0.002","90","","100.871","0.003","90","","5438.7","0.7","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C34 H32 N4 O2 -","- C34 H32 N4 O2 -","- C272 H256 N32 O16 -","8","1","","Zhai, Feng; Jordan, Richard F.","Autoxidation of Heterocyclic Aminals.","ACS omega","2017","2","6","3055","3063","10.1021/acsomega.7b00589","","","0.71073","MoKα","","0.0593","0.0427","","","0.1036","0.1128","","","","","","1.038","","","","has coordinates","301843","2025-08-21","01:58:47",""
"4516888","11.183","0.0003","11.7285","0.0003","16.6352","0.0004","90","","90","","90","","2181.87","0.1","291","2","291.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H22 Cl2 N2 O -","- C26 H22 Cl2 N2 O -","- C104 H88 Cl8 N8 O4 -","4","1","","Zhang, Zhiguo; Gao, Xiaolong; Wan, Yameng; Huang, Yuanyuan; Huang, Guoqing; Zhang, Guisheng","Ammonium Acetate-Promoted One-Pot Tandem Aldol Condensation/Aza-Addition Reactions: Synthesis of 2,3,6,7-Tetrahydro-1<i>H</i>-pyrrolo[3,2-<i>c</i>]pyridin-4(5<i>H</i>)-ones.","ACS omega","2017","2","10","6844","6851","10.1021/acsomega.7b00626","","x-ray","1.54184","CuKα","","0.0411","0.0376","","","0.0939","0.0973","","","","","","1.049","","","","has coordinates","301843","2025-08-21","01:58:47",""
"4516889","12.018","0.002","17.578","0.004","12.558","0.003","90","","103.46","0.03","90","","2580","1","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C18 H21 B2 F8 Fe N7 S3 -","- C18 H21 B2 F8 Fe N7 S3 -","- C72 H84 B8 F32 Fe4 N28 S12 -","4","1","","Li, Li; Neville, Suzanne M.; Craze, Alexander R.; Clegg, Jack K.; Sciortino, Natasha F.; Arachchige, Kasun S Athukorala; Mustonen, Outi; Marjo, Christopher E.; McRae, Christopher R.; Kepert, Cameron J.; Lindoy, Leonard F.; Aldrich-Wright, Janice R; Li, Feng","Spin-State Patterning in an Iron(II) Tripodal Spin-Crossover Complex.","ACS omega","2017","2","7","3349","3353","10.1021/acsomega.7b00630","","","0.7108","silicondoublecrystalmonochromatedsynchrotron","","0.0611","0.0598","","","0.1535","0.1547","","","","","","1.051","","","","has coordinates,has disorder","239617","2020-10-21","18:00:00",""
"4516890","15.3958","0.0006","17.8619","0.0007","29.6863","0.0011","90","","103.301","0.004","90","","7944.7","0.5","190","2","190","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C18 H21 B2 F8 Fe N7 S3 -","- C18 H21 B2 F8 Fe N7 S3 -","- C216 H252 B24 F96 Fe12 N84 S36 -","12","6","","Li, Li; Neville, Suzanne M.; Craze, Alexander R.; Clegg, Jack K.; Sciortino, Natasha F.; Arachchige, Kasun S Athukorala; Mustonen, Outi; Marjo, Christopher E.; McRae, Christopher R.; Kepert, Cameron J.; Lindoy, Leonard F.; Aldrich-Wright, Janice R; Li, Feng","Spin-State Patterning in an Iron(II) Tripodal Spin-Crossover Complex.","ACS omega","2017","2","7","3349","3353","10.1021/acsomega.7b00630","","","0.71073","MoKα","","0.113","0.0822","","","0.2106","0.2469","","","","","","1.017","","","","has coordinates,has disorder","239618","2020-10-21","18:00:00",""
"4516891","12.392","0.003","17.872","0.004","12.651","0.003","90","","102.41","0.03","90","","2736.3","1.2","298","2","298","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C18 H21 B2 F8 Fe N7 S3 -","- C18 H21 B2 F8 Fe N7 S3 -","- C72 H84 B8 F32 Fe4 N28 S12 -","4","1","","Li, Li; Neville, Suzanne M.; Craze, Alexander R.; Clegg, Jack K.; Sciortino, Natasha F.; Arachchige, Kasun S Athukorala; Mustonen, Outi; Marjo, Christopher E.; McRae, Christopher R.; Kepert, Cameron J.; Lindoy, Leonard F.; Aldrich-Wright, Janice R; Li, Feng","Spin-State Patterning in an Iron(II) Tripodal Spin-Crossover Complex.","ACS omega","2017","2","7","3349","3353","10.1021/acsomega.7b00630","","","0.7108","silicondoublecrystalmonochromatedsynchrotron","","0.0842","0.0798","","","0.2385","0.2441","","","","","","1.095","","","","has coordinates,has disorder","301843","2025-08-21","01:58:47",""
"4516892","12.4742","0.0005","9.8102","0.0004","17.1419","0.0008","90","","103.499","0.002","90","","2039.78","0.15","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H29 N O3 -","- C23 H29 N O3 -","- C92 H116 N4 O12 -","4","2","","Angamuthu, Venkatachalam; Chang, Wen-Jung; Hou, Duen-Ren","Anti-addition of Dimethylsulfoxonium Methylide to Acyclic α,β-Unsaturated Ketones and Its Application in Formal Synthesis of an Eicosanoid.","ACS omega","2017","2","8","4088","4099","10.1021/acsomega.7b00663","","","0.71073","MoKα","","0.087","0.0704","","","0.1821","0.1971","","","","","","1.054","","","","has coordinates","301843","2025-08-21","01:58:47",""
"4516893","8.095","0.002","14.812","0.004","15.641","0.004","66.874","0.012","76.588","0.014","77.346","0.014","1660.4","0.8","150","2","150","2","","","","","","","","5","P 1","P 1","1","","","","- C28 H50 Br2 N6 Pd -","- C28 H50 Br2 N6 Pd -","- C56 H100 Br4 N12 Pd2 -","2","2","","Kumar, Anuj; Naaz, Afsana; Prakasham, A. P.; Gangwar, Manoj Kumar; Butcher, Raymond J.; Panda, Dulal; Ghosh, Prasenjit","Potent Anticancer Activity with High Selectivity of a Chiral Palladium N-Heterocyclic Carbene Complex.","ACS omega","2017","2","8","4632","4646","10.1021/acsomega.7b00688","","","0.71075","MoKα","","0.033","0.0258","","","0.0529","0.055","","","","","","0.892","","","","has coordinates","239622","2020-10-21","18:00:00",""
"4516894","7.715","0.004","7.865","0.004","14.299","0.007","101.479","0.008","95.384","0.005","90.079","0.007","846.4","0.7","273","","273","","","","","","","","","5","P 1","P 1","1","","","","- C30 H50 Br2 N6 Pd -","- C30 H50 Br2 N6 Pd -","- C30 H50 Br2 N6 Pd -","1","1","","Kumar, Anuj; Naaz, Afsana; Prakasham, A. P.; Gangwar, Manoj Kumar; Butcher, Raymond J.; Panda, Dulal; Ghosh, Prasenjit","Potent Anticancer Activity with High Selectivity of a Chiral Palladium N-Heterocyclic Carbene Complex.","ACS omega","2017","2","8","4632","4646","10.1021/acsomega.7b00688","","","0.7107","MoKα","","","0.0553","","","","0.1204","","","","","","1.151","","","","has coordinates","239622","2020-10-21","18:00:00",""
"4516895","7.706","0.0015","7.8581","0.0016","14.256","0.003","101.44","0.03","95.42","0.03","90.11","0.03","842.1","0.3","150","2","150","2","","","","","","","","5","P 1","P 1","1","","","","- C30 H50 Br2 N6 Pd -","- C30 H50 Br2 N6 Pd -","- C30 H50 Br2 N6 Pd -","1","1","","Kumar, Anuj; Naaz, Afsana; Prakasham, A. P.; Gangwar, Manoj Kumar; Butcher, Raymond J.; Panda, Dulal; Ghosh, Prasenjit","Potent Anticancer Activity with High Selectivity of a Chiral Palladium N-Heterocyclic Carbene Complex.","ACS omega","2017","2","8","4632","4646","10.1021/acsomega.7b00688","","","0.71073","MoKα","","0.0491","0.0373","","","0.067","0.073","","","","","","0.929","","","","has coordinates","239622","2020-10-21","18:00:00",""
"4516896","11.565","0.003","13.039","0.003","13.719","0.003","98.396","0.004","95.925","0.004","101.192","0.003","1989.1","0.8","150","2","150.15","","","","","","","","","5","P 1","P 1","1","","","","- C38 H54 Br2 N6 Pd -","- C38 H54 Br2 N6 Pd -","- C76 H108 Br4 N12 Pd2 -","2","2","","Kumar, Anuj; Naaz, Afsana; Prakasham, A. P.; Gangwar, Manoj Kumar; Butcher, Raymond J.; Panda, Dulal; Ghosh, Prasenjit","Potent Anticancer Activity with High Selectivity of a Chiral Palladium N-Heterocyclic Carbene Complex.","ACS omega","2017","2","8","4632","4646","10.1021/acsomega.7b00688","","","0.71075","MoKα","","0.0564","0.0369","","","0.0823","0.0994","","","","","","1.086","","","","has coordinates","254431","2020-10-21","18:00:00",""
"4516897","18.899","0.005","11.212","0.003","27.511","0.007","90","","95.294","0.004","90","","5805","3","150","2","150.15","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C32 H50 F6 N6 O4 Pd -","- C32 H50 F6 N6 O4 Pd -","- C192 H300 F36 N36 O24 Pd6 -","6","3","","Kumar, Anuj; Naaz, Afsana; Prakasham, A. P.; Gangwar, Manoj Kumar; Butcher, Raymond J.; Panda, Dulal; Ghosh, Prasenjit","Potent Anticancer Activity with High Selectivity of a Chiral Palladium N-Heterocyclic Carbene Complex.","ACS omega","2017","2","8","4632","4646","10.1021/acsomega.7b00688","","","0.71075","MoKα","","0.0854","0.0719","","","0.1488","0.1591","","","","","","1.057","","","","has coordinates","254431","2020-10-21","18:00:00",""
"4516898","9.734","0.006","20.3275","0.001","11.937","0.007","90","","109.531","0.008","90","","2226","1.9","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C42 H54 F6 N6 O4 Pd -","- C42 H54 F6 N6 O4 Pd -","- C84 H108 F12 N12 O8 Pd2 -","2","1","","Kumar, Anuj; Naaz, Afsana; Prakasham, A. P.; Gangwar, Manoj Kumar; Butcher, Raymond J.; Panda, Dulal; Ghosh, Prasenjit","Potent Anticancer Activity with High Selectivity of a Chiral Palladium N-Heterocyclic Carbene Complex.","ACS omega","2017","2","8","4632","4646","10.1021/acsomega.7b00688","","","0.7107","MoKα","","0.0887","0.0763","","","0.1545","0.1766","","","","","","1.044","","","","has coordinates","276342","2022-06-28","16:10:47",""
"4516899","10.561","0.002","11.169","0.002","16.133","0.003","90","","92.303","0.003","90","","1901.4","0.6","100","2","100.15","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C32 H50 F6 N6 O4 Pd -","- C32 H50 F6 N6 O4 Pd -","- C64 H100 F12 N12 O8 Pd2 -","2","1","","Kumar, Anuj; Naaz, Afsana; Prakasham, A. P.; Gangwar, Manoj Kumar; Butcher, Raymond J.; Panda, Dulal; Ghosh, Prasenjit","Potent Anticancer Activity with High Selectivity of a Chiral Palladium N-Heterocyclic Carbene Complex.","ACS omega","2017","2","8","4632","4646","10.1021/acsomega.7b00688","","","0.7107","MoKα","","0.0443","0.0397","","","0.0793","0.0829","","","","","","1.03","","","","has coordinates","239622","2020-10-21","18:00:00",""
"4516900","9.702","0.003","20.111","0.006","11.874","0.004","90","","109.578","0.003","90","","2182.9","1.2","100","2","100.15","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C42 H54 F6 N6 O4 Pd -","- C42 H54 F6 N6 O4 Pd -","- C84 H108 F12 N12 O8 Pd2 -","2","1","","Kumar, Anuj; Naaz, Afsana; Prakasham, A. P.; Gangwar, Manoj Kumar; Butcher, Raymond J.; Panda, Dulal; Ghosh, Prasenjit","Potent Anticancer Activity with High Selectivity of a Chiral Palladium N-Heterocyclic Carbene Complex.","ACS omega","2017","2","8","4632","4646","10.1021/acsomega.7b00688","","","0.7107","MoKα","","0.0902","0.0571","","","0.0925","0.1186","","","","","","0.857","","","","has coordinates","239622","2020-10-21","18:00:00",""
"4516901","15.892","0.003","7.5837","0.0015","17.555","0.004","90","","90.64","0.03","90","","2115.6","0.8","170","2","170","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C30 H19 Br -","- C30 H19 Br -","- C120 H76 Br4 -","4","1","","Dhangar, Gopal; Serrano, Jose Luis; Schulzke, Carola; Gunturu, Krishna Chaitanya; Kapdi, Anant R.","Palladacycle-Catalyzed Triple Suzuki Coupling Strategy for the Synthesis of Anthracene-Based OLED Emitters.","ACS omega","2017","2","7","3144","3156","10.1021/acsomega.7b00725","","","0.71073","MoKα","","0.0707","0.042","","","0.1026","0.1173","","","","","","0.961","","","","has coordinates","301843","2025-08-21","01:58:47",""
"4516902","10.37","0.002","16.668","0.004","13.0761","0.0018","90","","124.978","0.01","90","","1851.9","0.7","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H30 O6 -","- C18 H30 O6 -","- C72 H120 O24 -","4","1","","Zhu, Jing; Yuan, Yi; Wang, Shaozhong; Yao, Zhu-Jun","Synthesis of 2,3-Dialkylated Tartaric Acid Esters via Visible Light Photoredox-Catalyzed Reductive Dimerization of α-Ketoesters.","ACS omega","2017","2","8","4665","4677","10.1021/acsomega.7b00749","","","0.71073","MoKα","","0.1227","0.0678","","","0.1821","0.212","","","","","","1.054","","","","has coordinates","301843","2025-08-21","01:58:47",""
"4516903","39.0066","0.0013","22.1515","0.0006","21.675","0.0006","90","","107.667","0.0012","90","","17845.1","0.9","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C27 H23.15 N O4.07 -","- C27 H23.1495 N O4.07475 -","- C864 H740.784 N32 O130.392 -","32","4","","Saito, Koya; Yoshida, Masahito; Uekusa, Hidehiro; Doi, Takayuki","Facile Synthesis of Pyrrolyl 4-Quinolinone Alkaloid Quinolactacide by 9-AJ-Catalyzed Tandem Acyl Transfer-Cyclization of <i>o</i>-Alkynoylaniline Derivatives.","ACS omega","2017","2","8","4370","4381","10.1021/acsomega.7b00793","","","0.71073","MoKα","","0.1405","0.0655","","","0.1527","0.2233","","","","","","0.994","","","","has coordinates","239625","2020-10-21","18:00:00",""
"4516904","8.1717","0.0014","8.2522","0.0014","10.8564","0.0018","79.563","0.002","89.113","0.002","83.6","0.002","715.5","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H12 Cl N2 O6 -","- C14 H11 Cl N2 O6 -","- C28 H22 Cl2 N4 O12 -","2","1","","Oruganti, Madhavi; Nechipadappu, Sunil Kumar; Khade, Pavan A.; Trivedi, Darshak R.","Solid-State Versatility of the Molecular Salts/Cocrystals of 2-Chloro-4-nitrobenzoic Acid: A Case Study on Halogen Bonds.","ACS omega","2017","2","10","7146","7162","10.1021/acsomega.7b00878","","","0.71073","MoKα","","0.0594","0.0468","","","0.1341","0.1446","","","","","","0.922","","","","has coordinates","239626","2020-10-21","18:00:00",""
"4516905","10.856","0.003","11.154","0.003","14.213","0.003","106.325","0.003","104.731","0.003","106.209","0.003","1479","0.7","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H12 Cl N2 O6.5 -","- C14 H12 Cl N2 O6.5 -","- C56 H48 Cl4 N8 O26 -","4","2","","Oruganti, Madhavi; Nechipadappu, Sunil Kumar; Khade, Pavan A.; Trivedi, Darshak R.","Solid-State Versatility of the Molecular Salts/Cocrystals of 2-Chloro-4-nitrobenzoic Acid: A Case Study on Halogen Bonds.","ACS omega","2017","2","10","7146","7162","10.1021/acsomega.7b00878","","","0.71073","MoKα","","0.053","0.0438","","","0.151","0.1567","","","","","","1.149","","","","has coordinates","301843","2025-08-21","01:58:47",""
"4516906","7.2428","0.0003","13.052","0.0006","29.5375","0.0013","90","","90","","90","","2792.3","0.2","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H11 Cl N2 O6 -","- C14 H11 Cl N2 O6 -","- C112 H88 Cl8 N16 O48 -","8","1","","Oruganti, Madhavi; Nechipadappu, Sunil Kumar; Khade, Pavan A.; Trivedi, Darshak R.","Solid-State Versatility of the Molecular Salts/Cocrystals of 2-Chloro-4-nitrobenzoic Acid: A Case Study on Halogen Bonds.","ACS omega","2017","2","10","7146","7162","10.1021/acsomega.7b00878","","","0.71073","MoKα","","0.0516","0.0449","","","0.1616","0.167","","","","","","1.354","","","","has coordinates","301843","2025-08-21","01:58:47",""
"4516907","7.0003","0.0011","8.2219","0.0019","10.5516","0.0017","85.243","0.003","78.471","0.002","79.703","0.002","584.77","0.19","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H8 Cl N3 O4 S -","- C10 H8 Cl N3 O4 S -","- C20 H16 Cl2 N6 O8 S2 -","2","1","","Oruganti, Madhavi; Nechipadappu, Sunil Kumar; Khade, Pavan A.; Trivedi, Darshak R.","Solid-State Versatility of the Molecular Salts/Cocrystals of 2-Chloro-4-nitrobenzoic Acid: A Case Study on Halogen Bonds.","ACS omega","2017","2","10","7146","7162","10.1021/acsomega.7b00878","","","0.71073","MoKα","","0.0294","0.0265","","","0.0659","0.067","","","","","","1.263","","","","has coordinates","301843","2025-08-21","01:58:47",""
"4516908","11.7902","0.0005","11.311","0.0005","12.3892","0.0006","90","","109.79","0.001","90","","1554.63","0.12","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H11 Cl N4 O4 -","- C14 H11 Cl N4 O4 -","- C56 H44 Cl4 N16 O16 -","4","1","","Oruganti, Madhavi; Nechipadappu, Sunil Kumar; Khade, Pavan A.; Trivedi, Darshak R.","Solid-State Versatility of the Molecular Salts/Cocrystals of 2-Chloro-4-nitrobenzoic Acid: A Case Study on Halogen Bonds.","ACS omega","2017","2","10","7146","7162","10.1021/acsomega.7b00878","","","0.71073","MoKα","","0.0661","0.0495","","","0.136","0.1422","","","","","","1.525","","","","has coordinates","301843","2025-08-21","01:58:47",""
"4516909","6.795","0.0005","7.4766","0.0005","13.7306","0.0009","77.211","0.004","88.2","0.004","69.323","0.004","635.6","0.08","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C11 H9 Cl N4 O4 -","- C11 H9 Cl N4 O4 -","- C22 H18 Cl2 N8 O8 -","2","1","","Oruganti, Madhavi; Nechipadappu, Sunil Kumar; Khade, Pavan A.; Trivedi, Darshak R.","Solid-State Versatility of the Molecular Salts/Cocrystals of 2-Chloro-4-nitrobenzoic Acid: A Case Study on Halogen Bonds.","ACS omega","2017","2","10","7146","7162","10.1021/acsomega.7b00878","","","0.71073","MoKα","","0.0771","0.0726","","","0.2368","0.2463","","","","","","1.447","","","","has coordinates","301843","2025-08-21","01:58:47",""
"4516910","5.7224","0.0004","10.5903","0.0007","11.2992","0.0007","95.938","0.001","103.751","0.001","94.742","0.001","657.47","0.08","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H10 Cl N3 O4 -","- C12 H10 Cl N3 O4 -","- C24 H20 Cl2 N6 O8 -","2","1","","Oruganti, Madhavi; Nechipadappu, Sunil Kumar; Khade, Pavan A.; Trivedi, Darshak R.","Solid-State Versatility of the Molecular Salts/Cocrystals of 2-Chloro-4-nitrobenzoic Acid: A Case Study on Halogen Bonds.","ACS omega","2017","2","10","7146","7162","10.1021/acsomega.7b00878","","","0.71073","MoKα","","0.0384","0.0319","","","0.0878","0.0955","","","","","","0.625","","","","has coordinates","239626","2020-10-21","18:00:00",""
"4516911","5.9445","0.0003","10.739","0.0005","10.9139","0.0005","98.91","0.002","95.465","0.002","105.836","0.002","655.22","0.05","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H10 Cl N3 O4 -","- C12 H10 Cl N3 O4 -","- C24 H20 Cl2 N6 O8 -","2","1","","Oruganti, Madhavi; Nechipadappu, Sunil Kumar; Khade, Pavan A.; Trivedi, Darshak R.","Solid-State Versatility of the Molecular Salts/Cocrystals of 2-Chloro-4-nitrobenzoic Acid: A Case Study on Halogen Bonds.","ACS omega","2017","2","10","7146","7162","10.1021/acsomega.7b00878","","","0.71073","MoKα","","0.0363","0.0326","","","0.1155","0.1208","","","","","","0.951","","","","has coordinates","301843","2025-08-21","01:58:47",""
"4516912","8.281","0.003","27.212","0.008","5.4812","0.0016","90","","90","","90","","1235.1","0.7","150","2","150","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C15 H11 Br N2 -","- C15 H11 Br N2 -","- C60 H44 Br4 N8 -","4","1","","Reddy, N. Naresh Kumar; Nageswara Rao, Sadu; Ravi, Chitrakar; Adimurthy, Subbarayappa","Catalyst-Free Synthesis of 2,4-Disubstituted-1<i>H</i>-imidazoles through [3 + 2] Cyclization of Vinyl Azides with Amidines.","ACS omega","2017","2","8","5235","5241","10.1021/acsomega.7b00969","","","0.71073","MoKα","","0.0876","0.0576","","","0.1238","0.1334","","","","","","0.969","","","","has coordinates","301843","2025-08-21","01:58:47",""
"4516913","25.456","0.0003","5.6041","0.0001","16.3636","0.0002","90","","97.0043","0.0004","90","","2316.98","0.06","100","","100","","","","","","","","Synthesized by the authors. See text","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H20 N4 O8 S2 -","- C24 H20 N4 O8 S2 -","- C96 H80 N16 O32 S8 -","4","0.5","","Langis-Barsetti, Sophie; Maris, Thierry; Wuest, James D.","Synthesis of Salts of 1,2,5,6- and 1,4,5,8-Naphthalenetetramine.","ACS omega","2017","2","9","6023","6030","10.1021/acsomega.7b01055","","","1.54178","CuKα","","0.0324","0.0318","","","0.086","0.0866","","","","","","1.071","","","","has coordinates","301843","2025-08-21","01:58:47",""
"4516914","16.095","0.004","21.593","0.005","8.257","0.002","90","","101.741","0.011","90","","2809.6","1.2","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Bis(phenylmethyl) 2,8-Dinitro-1,5-naphthalenediylcarbamate THF solvate","","- C30 H28 N4 O9 -","- C30 H28 N4 O9 -","- C120 H112 N16 O36 -","4","1","","Langis-Barsetti, Sophie; Maris, Thierry; Wuest, James D.","Synthesis of Salts of 1,2,5,6- and 1,4,5,8-Naphthalenetetramine.","ACS omega","2017","2","9","6023","6030","10.1021/acsomega.7b01055","","x-ray","1.34139","GaKα","","0.1921","0.0978","","","0.2271","0.2893","","","","","","1.013","","","","has coordinates,has disorder","301843","2025-08-21","01:58:47",""
"4516915","9.2281","0.0003","10.7423","0.0004","15.1969","0.0005","81.895","0.002","84.293","0.002","76.469","0.002","1446.58","0.09","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C28 H28 N4 O9 S2 -","- C28 H28 N4 O9 S2 -","- C56 H56 N8 O18 S4 -","2","1","","Langis-Barsetti, Sophie; Maris, Thierry; Wuest, James D.","Synthesis of Salts of 1,2,5,6- and 1,4,5,8-Naphthalenetetramine.","ACS omega","2017","2","9","6023","6030","10.1021/acsomega.7b01055","","x-ray","1.34139","GaKα","","0.0416","0.0355","","","0.0896","0.0935","","","","","","1.044","","","","has coordinates","301843","2025-08-21","01:58:47",""
"4516916","21.374","0.002","5.9585","0.0005","10.0311","0.0008","90","","92.402","0.004","90","","1276.41","0.19","150","","150.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H20 N4 O8 -","- C26 H20 N4 O8 -","- C52 H40 N8 O16 -","2","0.5","","Langis-Barsetti, Sophie; Maris, Thierry; Wuest, James D.","Synthesis of Salts of 1,2,5,6- and 1,4,5,8-Naphthalenetetramine.","ACS omega","2017","2","9","6023","6030","10.1021/acsomega.7b01055","","","1.54178","CuKα","","0.1263","0.1112","","","0.3257","0.3528","","","","","","1.537","","","","has coordinates,has disorder","239631","2020-10-21","18:00:00",""
"4516917","19.6145","0.0005","15.4076","0.0004","16.3628","0.0004","90","","90","","90","","4945","0.2","100","2","100","2","","","","","","","","7","P n a 21","P 2c -2n","33","","(Δ,Λ)-tetrakis(bis(bis((2-pyridylmethylamino)ethanethiolato- N,N',μ~2~-S)zinc(ii))zinc(ii) diperchlorate acetonitrile solvate","","- C36 H50 Cl2 N10 O8 S4 Zn3 -","- C36 H50 Cl2 N10 O8 S4 Zn3 -","- C144 H200 Cl8 N40 O32 S16 Zn12 -","4","1","","Hallinger, Madeline R.; Gerhard, Alison C.; Ritz, Mikhaila D.; Sacks, Joshua S.; Poutsma, John C.; Pike, Robert D.; Wojtas, Lukasz; Bebout, Deborah C.","Metal Substitution and Solvomorphism in Alkylthiolate-Bridged Zn<sub>3</sub> and HgZn<sub>2</sub> Metal Clusters.","ACS omega","2017","2","10","6391","6404","10.1021/acsomega.7b01087","","","1.54178","CuKα","","0.0191","0.0189","","","0.049","0.0491","","","","","","1.072","","","","has coordinates","301843","2025-08-21","01:58:47",""
"4516918","17.0064","0.0003","17.0064","0.0003","15.328","0.0003","90","","90","","90","","4433.13","0.14","100","2","100","2","","","","","","","","8","I -4","I -4","82","","(meso-Δ,Λ)-tetrakis(bis(bis((2-pyridylmethylamino)ethanethiolato- N,N',μ~2~-S)zinc(ii))mercury(ii) diperchlorate bishydrate","","- C32 H48 Cl2 Hg N8 O10 S4 Zn2 -","- C32 H48 Cl2 Hg N8 O10 S4 Zn2 -","- C128 H192 Cl8 Hg4 N32 O40 S16 Zn8 -","4","0.5","","Hallinger, Madeline R.; Gerhard, Alison C.; Ritz, Mikhaila D.; Sacks, Joshua S.; Poutsma, John C.; Pike, Robert D.; Wojtas, Lukasz; Bebout, Deborah C.","Metal Substitution and Solvomorphism in Alkylthiolate-Bridged Zn<sub>3</sub> and HgZn<sub>2</sub> Metal Clusters.","ACS omega","2017","2","10","6391","6404","10.1021/acsomega.7b01087","","","1.54178","CuKα","","0.0578","0.0562","","","0.1381","0.1394","","","","","","1.133","","","","has coordinates,has disorder","239632","2020-10-21","18:00:00",""
"4516919","34.6454","0.0015","14.5668","0.0007","22.3937","0.001","90","","102.175","0.001","90","","11047.3","0.9","100","2","100","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","(racemic-ΔΔ,ΛΛ)-tetrakis(bis(bis((2-pyridylmethylamino)ethanethiolato- N,N',μ~2~-S)zinc(ii))mercury(ii) diperchlorate acetonitrile toluene solvate","","- C43.25 H59 Cl2 Hg N11 O8 S4 Zn2 -","- C43.25 H59 Cl2 Hg N11 O8 S4 Zn2 -","- C346 H472 Cl16 Hg8 N88 O64 S32 Zn16 -","8","1","","Hallinger, Madeline R.; Gerhard, Alison C.; Ritz, Mikhaila D.; Sacks, Joshua S.; Poutsma, John C.; Pike, Robert D.; Wojtas, Lukasz; Bebout, Deborah C.","Metal Substitution and Solvomorphism in Alkylthiolate-Bridged Zn<sub>3</sub> and HgZn<sub>2</sub> Metal Clusters.","ACS omega","2017","2","10","6391","6404","10.1021/acsomega.7b01087","","","0.71073","MoKα","","0.0366","0.0285","","","0.0658","0.0697","","","","","","1.039","","","","has coordinates,has disorder","239632","2020-10-21","18:00:00",""
"4516920","9.59","0.0002","17.3124","0.0004","18.5657","0.0005","109.74","0.001","101.536","0.001","101.986","0.001","2713.11","0.12","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","(racemic-ΔΔ,ΛΛ)-tetrakis(bis(bis((2-pyridylmethylamino)ethanethiolato- N,N',μ~2~-S)zinc(ii))mercury(ii) diperchlorate acetonitrile toluene solvate","","- C44.5 H59 Cl2 Hg N9 O8 S4 Zn2 -","- C44.5 H59 Cl2 Hg N9 O8 S4 Zn2 -","- C89 H118 Cl4 Hg2 N18 O16 S8 Zn4 -","2","1","","Hallinger, Madeline R.; Gerhard, Alison C.; Ritz, Mikhaila D.; Sacks, Joshua S.; Poutsma, John C.; Pike, Robert D.; Wojtas, Lukasz; Bebout, Deborah C.","Metal Substitution and Solvomorphism in Alkylthiolate-Bridged Zn<sub>3</sub> and HgZn<sub>2</sub> Metal Clusters.","ACS omega","2017","2","10","6391","6404","10.1021/acsomega.7b01087","","","1.54178","CuKα","","0.0474","0.044","","","0.1444","0.1499","","","","","","1.092","","","","has coordinates,has disorder","239632","2020-10-21","18:00:00",""
"4516921","10.2995","0.0003","14.7078","0.0004","16.5684","0.0004","87.079","0.001","87.966","0.002","75.654","0.001","2427.73","0.11","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","(Δ,Λ)-tetrakis(bis(bis((2-pyridylmethylamino)ethanethiolato- N,N',μ~2~-S)zinc(ii))mercury(ii) diperchlorate acetonitrile toluene solvate","","- C75 H102 Cl4 Hg2 N18 O16 S8 Zn4 -","- C75 H102 Cl4 Hg2 N18 O16 S8 Zn4 -","- C75 H102 Cl4 Hg2 N18 O16 S8 Zn4 -","1","0.5","","Hallinger, Madeline R.; Gerhard, Alison C.; Ritz, Mikhaila D.; Sacks, Joshua S.; Poutsma, John C.; Pike, Robert D.; Wojtas, Lukasz; Bebout, Deborah C.","Metal Substitution and Solvomorphism in Alkylthiolate-Bridged Zn<sub>3</sub> and HgZn<sub>2</sub> Metal Clusters.","ACS omega","2017","2","10","6391","6404","10.1021/acsomega.7b01087","","","1.54178","CuKα","","0.0436","0.0403","","","0.103","0.1065","","","","","","1.077","","","","has coordinates,has disorder","239632","2020-10-21","18:00:00",""
"4516922","10.6004","0.0009","15.5825","0.0012","14.5579","0.0012","90","","91.269","0.001","90","","2404.1","0.3","100","2","100","2","","","","","","","","8","P 1 2/n 1","-P 2yac","13","","(Δ,Λ)-tetrakis(bis(bis((2-pyridylmethylamino)ethanethiolato- N,N',μ~2~-S)zinc(ii))mercury(ii) diperchlorate toluene solvate","","- C39 H52 Cl2 Hg N8 O8 S4 Zn2 -","- C39 H52 Cl2 Hg N8 O8 S4 Zn2 -","- C78 H104 Cl4 Hg2 N16 O16 S8 Zn4 -","2","0.5","","Hallinger, Madeline R.; Gerhard, Alison C.; Ritz, Mikhaila D.; Sacks, Joshua S.; Poutsma, John C.; Pike, Robert D.; Wojtas, Lukasz; Bebout, Deborah C.","Metal Substitution and Solvomorphism in Alkylthiolate-Bridged Zn<sub>3</sub> and HgZn<sub>2</sub> Metal Clusters.","ACS omega","2017","2","10","6391","6404","10.1021/acsomega.7b01087","","","0.71073","MoKα","","0.0427","0.0402","","","0.1304","0.1327","","","","","","1.133","","","","has coordinates,has disorder","239632","2020-10-21","18:00:00",""
"4516923","14.309","0.0009","5.7406","0.0006","19.1631","0.0009","90","","98.798","0.006","90","","1555.6","0.2","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H12 N2 O6 -","- C17 H12 N2 O6 -","- C68 H48 N8 O24 -","4","1","","Bag, Raghunath; Sar, Dinabandhu; Punniyamurthy, Tharmalingam","Aerobic Metal-Free Dioxygenation of Alkenes with <i>tert</i>-Butyl Nitrite and <i>N</i>-Hydroxylamines.","ACS omega","2017","2","9","6278","6290","10.1021/acsomega.7b01111","","","0.71073","MoKα","","0.0818","0.0566","","","0.095","0.1076","","","","","","1.027","","","","has coordinates","301843","2025-08-21","01:58:47",""
"4516924","27.389","0.002","27.389","0.002","9.7549","0.0007","90","","90","","120","","6337.3","0.8","100","2","100","2","","","","","","","","5","P 3","P 3","143","","","","- C80 H120 N18 O16 S -","- C79.998 H119.995 N18 O16 S -","- C239.994 H359.985 N54 O48 S3 -","3","1","","Portis, Bobby; Mirchi, Ali; Emami Khansari, Maryam; Pramanik, Avijit; Johnson, Corey R.; Powell, Douglas R.; Leszczynski, Jerzy; Hossain, Md Alamgir","An Ideal <i>C</i><sub>3</sub>-Symmetric Sulfate Complex: Molecular Recognition of Oxoanions by <i>m</i>-Nitrophenyl- and Pentafluorophenyl-Functionalized Hexaurea Receptors.","ACS omega","2017","2","9","5840","5849","10.1021/acsomega.7b01115","","","0.71073","MoKα","","0.1024","0.071","","","0.1798","0.2007","","","","","","1.007","","","","has coordinates,has disorder","288505","2023-12-22","15:12:03",""
"4516925","7.7434","0.0003","12.1722","0.0005","20.2617","0.0007","95.227","0.003","93.915","0.002","98.882","0.002","1872.41","0.12","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H20 N4 O6 -","- C18 H20 N4 O6 -","- C72 H80 N16 O24 -","4","2","","Tarai, Arup; Baruah, Jubaraj B.","Conformation and Visual Distinction between Urea and Thiourea Derivatives by an Acetate Ion and a Hexafluorosilicate Cocrystal of the Urea Derivative in the Detection of Water in Dimethylsulfoxide.","ACS omega","2017","2","10","6991","7001","10.1021/acsomega.7b01217","","","0.71073","MoKα","","0.1107","0.0532","","","0.0966","0.1357","","","","","","1.081","","","","has coordinates","301843","2025-08-21","01:58:47",""
"4516926","8.8491","0.0007","10.9303","0.0015","10.9736","0.001","105.249","0.01","93.074","0.007","103.966","0.009","985.96","0.19","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H22 N4 O6 -","- C19 H22 N4 O6 -","- C38 H44 N8 O12 -","2","1","","Tarai, Arup; Baruah, Jubaraj B.","Conformation and Visual Distinction between Urea and Thiourea Derivatives by an Acetate Ion and a Hexafluorosilicate Cocrystal of the Urea Derivative in the Detection of Water in Dimethylsulfoxide.","ACS omega","2017","2","10","6991","7001","10.1021/acsomega.7b01217","","","0.71073","MoKα","","0.1879","0.0839","","","0.1332","0.173","","","","","","1.078","","","","has coordinates","239635","2020-10-21","18:00:00",""
"4516927","8.2476","0.0016","9.157","0.0017","13.002","0.003","80.729","0.015","80.544","0.014","80.501","0.014","946.2","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H19 N3 O6 S -","- C17 H19 N3 O6 S -","- C34 H38 N6 O12 S2 -","2","1","","Tarai, Arup; Baruah, Jubaraj B.","Conformation and Visual Distinction between Urea and Thiourea Derivatives by an Acetate Ion and a Hexafluorosilicate Cocrystal of the Urea Derivative in the Detection of Water in Dimethylsulfoxide.","ACS omega","2017","2","10","6991","7001","10.1021/acsomega.7b01217","","","0.71073","MoKα","","0.128","0.079","","","0.1689","0.1945","","","","","","1.069","","","","has coordinates","301843","2025-08-21","01:58:47",""
"4516928","8.9102","0.0006","9.9426","0.0007","11.7194","0.0008","91.392","0.004","104.2","0.004","106.984","0.004","957.44","0.12","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H19 N3 O5 S2 -","- C17 H19 N3 O5 S2 -","- C34 H38 N6 O10 S4 -","2","1","","Tarai, Arup; Baruah, Jubaraj B.","Conformation and Visual Distinction between Urea and Thiourea Derivatives by an Acetate Ion and a Hexafluorosilicate Cocrystal of the Urea Derivative in the Detection of Water in Dimethylsulfoxide.","ACS omega","2017","2","10","6991","7001","10.1021/acsomega.7b01217","","","0.71073","MoKα","","0.0941","0.0479","","","0.1255","0.1478","","","","","","1.01","","","","has coordinates","301843","2025-08-21","01:58:47",""
"4516929","13.6859","0.0006","17.7916","0.0007","30.7988","0.0014","93.988","0.004","96.865","0.004","109.357","0.004","6976.8","0.6","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C62 H98 F6 N8 O10 Si -","- C62 H98 F6 N8 O10 Si -","- C248 H392 F24 N32 O40 Si4 -","4","2","","Tarai, Arup; Baruah, Jubaraj B.","Conformation and Visual Distinction between Urea and Thiourea Derivatives by an Acetate Ion and a Hexafluorosilicate Cocrystal of the Urea Derivative in the Detection of Water in Dimethylsulfoxide.","ACS omega","2017","2","10","6991","7001","10.1021/acsomega.7b01217","","","0.71073","MoKα","","0.1709","0.0935","","","0.1533","0.1862","","","","","","1.058","","","","has coordinates","239635","2020-10-21","18:00:00",""
"4516930","9.2162","0.0018","11.9031","0.0018","12.665","0.002","90","","95.002","0.015","90","","1384.1","0.4","293","","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H16 Br N O2 -","- C14 H16 Br N O2 -","- C56 H64 Br4 N4 O8 -","4","1","","Zhang, Jie-Huan; Wang, Ru-Bing; Li, De-Feng; Zhao, Li-Ming","Green Method To Preparing Oxindole-Fused Spirotetrahydrofuran Scaffolds through Methanesulfonic Acid-Catalyzed Cyclization Reactions of 3-Allyl-3-hydroxy-2-oxindole in Water.","ACS omega","2017","2","10","7022","7028","10.1021/acsomega.7b01279","","x-ray","0.71073","MoKα","","0.1689","0.0914","","","0.2174","0.2791","","","","","","1.034","","","","has coordinates","301843","2025-08-21","01:58:47",""
"4516931","11.5855","0.0009","13.7576","0.0014","11.9138","0.0009","90","","111.058","0.002","90","","1772.1","0.3","173","2","173","2","","","","","","","synthesis as described","7","P 1 21 1","P 2yb","4","","","","- C30 H44 Cu2 I2 P2 Pt S2 -","- C30 H44 Cu2 I2 P2 Pt S2 -","- C60 H88 Cu4 I4 P4 Pt2 S4 -","2","1","","Juvenal, Frank; Bonnot, Antoine; Fortin, Daniel; Harvey, Pierre D.","The <i>trans</i>-Bis(<i>p</i>-thioetherphenylacetynyl)bis(phosphine)platinum(II) Ligands: A Step towards Predictability and Crystal Design.","ACS omega","2017","2","10","7433","7443","10.1021/acsomega.7b01352","","x-ray","0.71073","MoKα","","0.0266","0.0233","","","0.0568","0.0581","","","","","","1.144","","","","has coordinates","239637","2020-10-21","18:00:00",""
"4516932","9.1837","0.0017","9.7176","0.0018","10.067","0.002","101.961","0.005","97.001","0.005","90.11","0.004","872","0.3","173","2","173","2","","","","","","","","8","P 1","P 1","1","","","","- C28 H38 Br2 Cu2 N2 P2 Pt S2 -","- C28 H38 Br2 Cu2 N2 P2 Pt S2 -","- C28 H38 Br2 Cu2 N2 P2 Pt S2 -","1","1","","Juvenal, Frank; Bonnot, Antoine; Fortin, Daniel; Harvey, Pierre D.","The <i>trans</i>-Bis(<i>p</i>-thioetherphenylacetynyl)bis(phosphine)platinum(II) Ligands: A Step towards Predictability and Crystal Design.","ACS omega","2017","2","10","7433","7443","10.1021/acsomega.7b01352","","","0.71073","MoKα","","0.0408","0.0351","","","0.0804","0.0853","","","","","","1.093","","","","has coordinates","239638","2020-10-21","18:00:00",""
"4516933","9.1683","0.0016","9.6345","0.0017","10.0679","0.0018","101.983","0.003","96.491","0.003","90.18","0.003","864","0.3","173","2","173","2","","","","","","","synthesis as described","8","P -1","-P 1","2","","","","- C28 H38 Cl2 Cu2 N2 P2 Pt S2 -","- C28 H38 Cl2 Cu2 N2 P2 Pt S2 -","- C28 H38 Cl2 Cu2 N2 P2 Pt S2 -","1","0.5","","Juvenal, Frank; Bonnot, Antoine; Fortin, Daniel; Harvey, Pierre D.","The <i>trans</i>-Bis(<i>p</i>-thioetherphenylacetynyl)bis(phosphine)platinum(II) Ligands: A Step towards Predictability and Crystal Design.","ACS omega","2017","2","10","7433","7443","10.1021/acsomega.7b01352","","x-ray","0.71073","MoKα","","0.0186","0.0172","","","0.0405","0.0412","","","","","","1.038","","","","has coordinates","239639","2020-10-21","18:00:00",""
"4516934","8.724","0.004","9.467","0.005","11.201","0.005","98.149","0.015","102.16","0.009","116.678","0.011","777.9","0.7","173","2","173","2","","","","","","","","5","P 1","P 1","1","","","","- C30 H44 P2 Pt S2 -","- C30 H44 P2 Pt S2 -","- C30 H44 P2 Pt S2 -","1","1","","Juvenal, Frank; Bonnot, Antoine; Fortin, Daniel; Harvey, Pierre D.","The <i>trans</i>-Bis(<i>p</i>-thioetherphenylacetynyl)bis(phosphine)platinum(II) Ligands: A Step towards Predictability and Crystal Design.","ACS omega","2017","2","10","7433","7443","10.1021/acsomega.7b01352","","","0.71073","MoKα","","0.0149","0.0149","","","0.0381","0.0381","","","","","","1.169","","","","has coordinates","239640","2020-10-21","18:00:00",""
"4516935","9.11","0.002","9.191","0.002","12.721","0.003","69.754","0.005","85.301","0.005","63.395","0.004","890.1","0.3","173","2","173","2","","","","","","","synthesis as described","7","P -1","-P 1","2","","","","- C30 H44 Cl2 Cu2 P2 Pt S2 -","- C30 H44 Cl2 Cu2 P2 Pt S2 -","- C30 H44 Cl2 Cu2 P2 Pt S2 -","1","0.5","","Juvenal, Frank; Bonnot, Antoine; Fortin, Daniel; Harvey, Pierre D.","The <i>trans</i>-Bis(<i>p</i>-thioetherphenylacetynyl)bis(phosphine)platinum(II) Ligands: A Step towards Predictability and Crystal Design.","ACS omega","2017","2","10","7433","7443","10.1021/acsomega.7b01352","","x-ray","0.71073","MoKα","","0.0351","0.0303","","","0.0754","0.0773","","","","","","1.077","","","","has coordinates","239641","2020-10-21","18:00:00",""
"4516936","10.3208","0.0016","10.5678","0.0017","11.2817","0.0018","77.262","0.003","65.786","0.003","63.262","0.003","1001.2","0.3","173","2","173","2","","","","","","","synthesis as described","8","P -1","-P 1","2","","","","- C14 H19 Cu2 I2 N P Pt0.5 S -","- C14 H19 Cu2 I2 N P Pt0.5 S -","- C28 H38 Cu4 I4 N2 P2 Pt S2 -","2","1","","Juvenal, Frank; Bonnot, Antoine; Fortin, Daniel; Harvey, Pierre D.","The <i>trans</i>-Bis(<i>p</i>-thioetherphenylacetynyl)bis(phosphine)platinum(II) Ligands: A Step towards Predictability and Crystal Design.","ACS omega","2017","2","10","7433","7443","10.1021/acsomega.7b01352","","x-ray","0.71073","MoKα","","0.0273","0.0223","","","0.0512","0.0537","","","","","","1.16","","","","has coordinates","239642","2020-10-21","18:00:00",""
"4516937","11.995","0.006","12.221","0.008","12.496","0.008","71.77","0.02","84.647","0.014","62.2","0.05","1536","1.8","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H28 Cl2 N2 O4 -","- C38 H28 Cl2 N2 O4 -","- C76 H56 Cl4 N4 O8 -","2","1","","Shi, Rong-Guo; Sun, Jing; Yan, Chao-Guo","Tandem Double [3 + 2] Cycloaddition Reactions at Both C-1 and C-3 Atoms of <i>N</i>-Cyanomethylisoquinolinium Ylide.","ACS omega","2017","2","11","7820","7830","10.1021/acsomega.7b01391","","","0.71073","MoKα","","0.2434","0.0677","","","0.1185","0.1391","","","","","","0.957","","","","has coordinates","301843","2025-08-21","01:58:47",""
"4516938","11.8189","0.0015","12.2358","0.0015","12.625","0.0016","103.752","0.004","94.826","0.004","118.541","0.004","1515.5","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H26 Cl N3 O4 -","- C38 H26 Cl N3 O4 -","- C76 H52 Cl2 N6 O8 -","2","1","","Shi, Rong-Guo; Sun, Jing; Yan, Chao-Guo","Tandem Double [3 + 2] Cycloaddition Reactions at Both C-1 and C-3 Atoms of <i>N</i>-Cyanomethylisoquinolinium Ylide.","ACS omega","2017","2","11","7820","7830","10.1021/acsomega.7b01391","","","0.71073","MoKα","","0.0859","0.0496","","","0.1363","0.1498","","","","","","1.016","","","","has coordinates","301843","2025-08-21","01:58:47",""
"4516939","10.4573","0.0002","11.9728","0.0003","12.8415","0.0003","90","","93.954","0.001","90","","1603.97","0.06","100","2","100","2","","","","","","","synthesis as described","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H17 N3 S -","- C20 H17 N3 S -","- C80 H68 N12 S4 -","4","1","","Kuleshova, Olena; Khilya, Olga; Volovenko, Yulian; Mallet-Ladeira, Sonia; Dyakonenko, Viktoriya; Gras, Emmanuel","Expedited Route to Fully Substituted Amino-Pyrazole Building Blocks and Their Further Transformations.","ACS omega","2017","2","12","8911","8927","10.1021/acsomega.7b01419","","x-ray","0.71073","MoKα","","0.0379","0.0311","","","0.0879","0.0932","","","","","","1.084","","","","has coordinates","301843","2025-08-21","01:58:47",""
"4516940","7.7827","0.001","11.3884","0.0011","16.0505","0.0019","93.532","0.009","94.791","0.01","91.122","0.009","1414.5","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H15 N3 S -","- C16 H15 N3 S -","- C64 H60 N12 S4 -","4","2","","Kuleshova, Olena; Khilya, Olga; Volovenko, Yulian; Mallet-Ladeira, Sonia; Dyakonenko, Viktoriya; Gras, Emmanuel","Expedited Route to Fully Substituted Amino-Pyrazole Building Blocks and Their Further Transformations.","ACS omega","2017","2","12","8911","8927","10.1021/acsomega.7b01419","","x-ray","0.71073","MoKα","","0.1496","0.0609","","","0.0994","0.1275","","","","","","0.916","","","","has coordinates","301843","2025-08-21","01:58:47",""
"4516941","14.5736","0.0003","14.5736","0.0003","22.951","0.0013","90","","90","","90","","4874.6","0.3","293","","293","","","","","","","","","3","P 42/n b c :2","-P 4ac 2b","133","","","","- C14 H14 N4 -","- C14 H14 N4 -","- C224 H224 N64 -","16","1","","Kuleshova, Olena; Khilya, Olga; Volovenko, Yulian; Mallet-Ladeira, Sonia; Dyakonenko, Viktoriya; Gras, Emmanuel","Expedited Route to Fully Substituted Amino-Pyrazole Building Blocks and Their Further Transformations.","ACS omega","2017","2","12","8911","8927","10.1021/acsomega.7b01419","","","0.71073","MoKα","","0.1171","0.0521","","","0.1077","0.1275","","","","","","0.95","","","","has coordinates,has disorder","239644","2020-10-21","18:00:00",""
"4516942","7.9733","0.0002","7.9374","0.0002","25.4882","0.0005","90","","97.386","0.002","90","","1599.69","0.07","193","2","192.9","0.4","","","","","","","synthesis as described","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H18 N4 -","- C20 H18 N4 -","- C80 H72 N16 -","4","1","","Kuleshova, Olena; Khilya, Olga; Volovenko, Yulian; Mallet-Ladeira, Sonia; Dyakonenko, Viktoriya; Gras, Emmanuel","Expedited Route to Fully Substituted Amino-Pyrazole Building Blocks and Their Further Transformations.","ACS omega","2017","2","12","8911","8927","10.1021/acsomega.7b01419","","x-ray","0.71073","MoKα","","0.0432","0.0377","","","0.0932","0.0981","","","","","","1.049","","","","has coordinates","301843","2025-08-21","01:58:47",""
"4516943","9.5762","0.0006","9.9473","0.0006","10.8647","0.0007","111.404","0.002","112.175","0.002","99.826","0.002","833.26","0.09","180","2","180","2","","","","","","","synthesis as described","3","P -1","-P 1","2","","","","- C22 H19 N3 -","- C22 H19 N3 -","- C44 H38 N6 -","2","1","","Kuleshova, Olena; Khilya, Olga; Volovenko, Yulian; Mallet-Ladeira, Sonia; Dyakonenko, Viktoriya; Gras, Emmanuel","Expedited Route to Fully Substituted Amino-Pyrazole Building Blocks and Their Further Transformations.","ACS omega","2017","2","12","8911","8927","10.1021/acsomega.7b01419","","x-ray","0.71073","MoKα","","0.0815","0.0525","","","0.1289","0.1451","","","","","","1.027","","","","has coordinates","301843","2025-08-21","01:58:47",""
"4516944","7.6433","0.0006","20.2686","0.0014","8.686","0.0006","90","","112.654","0.002","90","","1241.81","0.16","180","2","180","2","","","","","","","synthesis as described","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H14 N4 O -","- C15 H14 N4 O -","- C60 H56 N16 O4 -","4","1","","Kuleshova, Olena; Khilya, Olga; Volovenko, Yulian; Mallet-Ladeira, Sonia; Dyakonenko, Viktoriya; Gras, Emmanuel","Expedited Route to Fully Substituted Amino-Pyrazole Building Blocks and Their Further Transformations.","ACS omega","2017","2","12","8911","8927","10.1021/acsomega.7b01419","","x-ray","0.71073","MoKα","","0.0573","0.0452","","","0.1216","0.1316","","","","","","1.042","","","","has coordinates","301843","2025-08-21","01:58:47",""
"4516945","8.7789","0.0002","11.5391","0.0003","15.1241","0.0004","90","","90","","90","","1532.08","0.07","180","2","180","2","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H19 N5 S -","- C15 H19 N5 S -","- C60 H76 N20 S4 -","4","1","","Kuleshova, Olena; Khilya, Olga; Volovenko, Yulian; Mallet-Ladeira, Sonia; Dyakonenko, Viktoriya; Gras, Emmanuel","Expedited Route to Fully Substituted Amino-Pyrazole Building Blocks and Their Further Transformations.","ACS omega","2017","2","12","8911","8927","10.1021/acsomega.7b01419","","x-ray","0.71073","MoKα","","0.0371","0.0322","","","0.082","0.0856","","","","","","1.057","","","","has coordinates","301843","2025-08-21","01:58:47",""
"4516946","9.6381","0.0004","12.9175","0.0005","12.0791","0.0004","90","","110.705","0.001","90","","1406.72","0.09","193","2","193","2","","","","","","","synthesis as described","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H17 N5 S -","- C14 H17 N5 S -","- C56 H68 N20 S4 -","4","1","","Kuleshova, Olena; Khilya, Olga; Volovenko, Yulian; Mallet-Ladeira, Sonia; Dyakonenko, Viktoriya; Gras, Emmanuel","Expedited Route to Fully Substituted Amino-Pyrazole Building Blocks and Their Further Transformations.","ACS omega","2017","2","12","8911","8927","10.1021/acsomega.7b01419","","","0.71073","MoKα","","0.0391","0.0336","","","0.0962","0.1","","","","","","1.063","","","","has coordinates","301843","2025-08-21","01:58:47",""
"4516947","10.449","0.0005","19.1742","0.0007","10.5635","0.0005","90","","110.663","0.005","90","","1980.27","0.17","180","2","180","2","","","","","","","synthesis as described","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H28 N6 O2 -","- C19 H28 N6 O2 -","- C76 H112 N24 O8 -","4","1","","Kuleshova, Olena; Khilya, Olga; Volovenko, Yulian; Mallet-Ladeira, Sonia; Dyakonenko, Viktoriya; Gras, Emmanuel","Expedited Route to Fully Substituted Amino-Pyrazole Building Blocks and Their Further Transformations.","ACS omega","2017","2","12","8911","8927","10.1021/acsomega.7b01419","","x-ray","0.71073","MoKα","","0.0666","0.0561","","","0.1531","0.1618","","","","","","1.069","","","","has coordinates","301843","2025-08-21","01:58:47",""
"4516948","18.9579","0.0011","15.4754","0.0009","20.0404","0.0012","90","","100.36","0.002","90","","5783.6","0.6","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C28 H28 Cl2 N4 O5 S -","- C28 H28 Cl2 N4 O5 S -","- C224 H224 Cl16 N32 O40 S8 -","8","1","","Bannigan, Pauric; Durack, Edel; Madden, Conor; Lusi, Matteo; Hudson, Sarah P.","Role of Biorelevant Dissolution Media in the Selection of Optimal Salt Forms of Oral Drugs: Maximizing the Gastrointestinal Solubility and in Vitro Activity of the Antimicrobial Molecule, Clofazimine.","ACS omega","2017","2","12","8969","8981","10.1021/acsomega.7b01454","","","0.71073","MoKα","","0.0772","0.0583","","","0.1475","0.1602","","","","","","1.038","","","","has coordinates","301843","2025-08-21","01:58:47",""
"4516949","14.3064","0.0009","15.1345","0.0009","27.9096","0.0017","96.495","0.002","92.025","0.002","110.64","0.002","5600.4","0.6","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H25 Cl2 N4 O4.25 P -","- C27 H25 Cl2 N4 O4.25 P -","- C216 H200 Cl16 N32 O34 P8 -","8","4","","Bannigan, Pauric; Durack, Edel; Madden, Conor; Lusi, Matteo; Hudson, Sarah P.","Role of Biorelevant Dissolution Media in the Selection of Optimal Salt Forms of Oral Drugs: Maximizing the Gastrointestinal Solubility and in Vitro Activity of the Antimicrobial Molecule, Clofazimine.","ACS omega","2017","2","12","8969","8981","10.1021/acsomega.7b01454","","","0.71073","MoKα","","0.1775","0.0961","","","0.1638","0.1911","","","","","","1.113","","","","has coordinates","239646","2020-10-21","18:00:00",""
"4516950","14.7409","0.0006","15.8211","0.0006","16.2514","0.0007","71.928","0.001","63.041","0.001","70.747","0.002","3130.6","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H30 Cl2 N4 O7 -","- C33 H30 Cl2 N4 O7 -","- C132 H120 Cl8 N16 O28 -","4","2","","Bannigan, Pauric; Durack, Edel; Madden, Conor; Lusi, Matteo; Hudson, Sarah P.","Role of Biorelevant Dissolution Media in the Selection of Optimal Salt Forms of Oral Drugs: Maximizing the Gastrointestinal Solubility and in Vitro Activity of the Antimicrobial Molecule, Clofazimine.","ACS omega","2017","2","12","8969","8981","10.1021/acsomega.7b01454","","","0.71073","MoKα","","0.1442","0.0629","","","0.1157","0.1413","","","","","","1.01","","","","has coordinates","301843","2025-08-21","01:58:47",""
"4516951","9.044","0.003","13.524","0.003","20.436","0.005","90","","90","","90","","2499.5","1.2","173","2","173","2","","","","","","","synthesis as described","6","P 21 21 21","P 2ac 2ab","19","","","","- C29 H30 Cl N O Ru -","- C29 H30 Cl N O Ru -","- C116 H120 Cl4 N4 O4 Ru4 -","4","1","","Brunner, Henri; Balázs, Gábor; Tsuno, Takashi; Iwabe, Haruka","PPh<sub>3</sub> Propeller Diastereomers: Bonding Motif Ph<sub>PPh<sub>3</sub></sub> Face-On π-Ar in Half-Sandwich Compounds [(π-Ar)LL'MPPh<sub>3</sub>].","ACS omega","2018","3","1","982","990","10.1021/acsomega.7b01460","","","0.71073","MoKα","","0.0335","0.0325","","","0.0875","0.0885","","","","","","1.065","","","","has coordinates","239648","2020-10-21","18:00:00",""
"4516952","10.5006","0.0001","17.8634","0.0001","34.4468","0.0001","90","","98.1","0.001","90","","6396.95","0.07","110","0.02","110","0.1","","","","","","","synthesis as described","7","P 1 21 1","P 2yb","4","","","","- C47 H45 F6 N O P2 Ru -","- C47 H45 F6 N O P2 Ru -","- C282 H270 F36 N6 O6 P12 Ru6 -","6","3","","Brunner, Henri; Balázs, Gábor; Tsuno, Takashi; Iwabe, Haruka","PPh<sub>3</sub> Propeller Diastereomers: Bonding Motif Ph<sub>PPh<sub>3</sub></sub> Face-On π-Ar in Half-Sandwich Compounds [(π-Ar)LL'MPPh<sub>3</sub>].","ACS omega","2018","3","1","982","990","10.1021/acsomega.7b01460","","x-ray","1.54178","CuKα","","0.0427","0.0414","","","0.1086","0.11","","","","","","1.012","","","","has coordinates","301843","2025-08-21","01:58:47",""
"4516953","10.429","0.003","16.431","0.005","14.06","0.005","90","","98.59","0.014","90","","2382.3","1.3","173","2","173","2","","","","","","","synthesis as described","8","P 1 21 1","P 2yb","4","","","","- C49 H49 Cl4 F6 N O P2 Ru -","- C49 H49 Cl4 F6 N O P2 Ru -","- C98 H98 Cl8 F12 N2 O2 P4 Ru2 -","2","1","","Brunner, Henri; Balázs, Gábor; Tsuno, Takashi; Iwabe, Haruka","PPh<sub>3</sub> Propeller Diastereomers: Bonding Motif Ph<sub>PPh<sub>3</sub></sub> Face-On π-Ar in Half-Sandwich Compounds [(π-Ar)LL'MPPh<sub>3</sub>].","ACS omega","2018","3","1","982","990","10.1021/acsomega.7b01460","","","0.71073","MoKα","","0.06","0.0561","","","0.1479","0.1519","","","","","","1.057","","","","has coordinates","301843","2025-08-21","01:58:47",""
"4516954","13.091","0.0005","12.8548","0.0007","8.1538","0.0005","90","","94.208","0.004","90","","1368.44","0.12","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H16 Cl N O4 -","- C12 H16 Cl N O4 -","- C48 H64 Cl4 N4 O16 -","4","1","","Zhang, Zhiguo; Gao, Xiaolong; Yu, Haifeng; Bi, Jingjing; Zhang, Guisheng","Tandem Oxidative α-Hydroxylation/β-Acetalization Reaction of β-Ketoamides and Its Applications.","ACS omega","2017","2","11","7746","7754","10.1021/acsomega.7b01526","","x-ray","1.54184","CuKα","","0.0606","0.0509","","","0.1413","0.1532","","","","","","1.043","","","","has coordinates","301843","2025-08-21","01:58:47",""
"4516955","8.0644","0.0009","9.4449","0.0011","10.2338","0.0012","107.774","0.001","104.803","0.002","106.592","0.002","659.32","0.13","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H17 N O2 -","- C16 H17 N O2 -","- C32 H34 N2 O4 -","2","1","","Zuo, Youpeng; He, Xinwei; Ning, Yi; Wu, Yuhao; Shang, Yongjia","Rh(III)-Catalyzed C-H Activation/Intramolecular Cyclization: Access to <i>N</i>-Acyl-2,3-dihydro-1<i>H</i>-carbazol-4(9<i>H</i>)-ones from Cyclic 2-Diazo-1,3-diketones and <i>N</i>-Arylamides.","ACS omega","2017","2","11","8507","8516","10.1021/acsomega.7b01637","","","0.71073","MoKα","","0.0643","0.0439","","","0.1008","0.1108","","","","","","1.041","","","","has coordinates","301843","2025-08-21","01:58:47",""
"4516956","5.3885","0.0005","14.607","0.0014","21","0.002","90","","90","","90","","1652.9","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H19 N O2 -","- C21 H19 N O2 -","- C84 H76 N4 O8 -","4","1","","Zuo, Youpeng; He, Xinwei; Ning, Yi; Wu, Yuhao; Shang, Yongjia","Rh(III)-Catalyzed C-H Activation/Intramolecular Cyclization: Access to <i>N</i>-Acyl-2,3-dihydro-1<i>H</i>-carbazol-4(9<i>H</i>)-ones from Cyclic 2-Diazo-1,3-diketones and <i>N</i>-Arylamides.","ACS omega","2017","2","11","8507","8516","10.1021/acsomega.7b01637","","","0.71073","MoKα","","0.0653","0.0587","","","0.1604","0.1683","","","","","","0.776","","","","has coordinates,has disorder","301843","2025-08-21","01:58:47",""
"4516957","14.698","0.006","19.777","0.008","15.179","0.006","90","","96.467","0.004","90","","4384","3","296","2","296.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C41 H48 Cl2 N5 O14 -","- C41 H48 Cl2 N5 O14 -","- C164 H192 Cl8 N20 O56 -","4","1","","Das, Sujoy; Rissanen, Kari; Sahoo, Prithidipa","Rare Crystal Structure of Open Spirolactam Ring along with the Closed-Ring Form of a Rhodamine Derivative: Sensing of Cu<sup>2+</sup> Ions from Spinach.","ACS omega","2019","4","3","5270","5274","10.1021/acsomega.9b00053","","","0.71073","MoKα","","0.1428","0.0786","","","0.2088","0.2764","","","","","","1.05","","","","has coordinates,has disorder","239652","2020-10-21","18:00:00",""
"4516958","11.256","0.003","11.921","0.003","15.208","0.004","69.231","0.013","71.022","0.011","73.095","0.011","1768.4","0.8","296","2","296.15","","","","","","","","","4","P -1","-P 1","2","","","","- C41 H43 N5 O4 -","- C41 H43 N5 O4 -","- C82 H86 N10 O8 -","2","1","","Das, Sujoy; Rissanen, Kari; Sahoo, Prithidipa","Rare Crystal Structure of Open Spirolactam Ring along with the Closed-Ring Form of a Rhodamine Derivative: Sensing of Cu<sup>2+</sup> Ions from Spinach.","ACS omega","2019","4","3","5270","5274","10.1021/acsomega.9b00053","","","0.71073","MoKα","","0.1571","0.1276","","","0.3169","0.3579","","","","","","1.148","","","","has coordinates,has disorder","239653","2020-10-21","18:00:00",""
"4516959","21.5201","0.0009","10.55","0.0005","19.5452","0.0008","90","","117.251","0.002","90","","3945","0.3","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C42 H38 Mn2 N2 O12 -","- C42 H38 Mn2 N2 O12 -","- C168 H152 Mn8 N8 O48 -","4","0.5","","Kundu, Arunangshu; Saikia, Swagata; Majumder, Manoj; Sengupta, Oindrila; Bhattacharya, Biswajit; De, Gobinda Chandra; Ghosh, Sushobhan","New Set of Multicomponent Crystals as Efficient Heterogeneous Catalysts for the Synthesis of Cyclic Carbonates.","ACS omega","2019","4","3","5221","5232","10.1021/acsomega.9b00101","","","0.71073","MoKα","","0.0655","0.0416","","","0.1114","0.1242","","","","","","1.041","","","","has coordinates","301843","2025-08-21","01:58:47",""
"4516960","21.55","0.002","10.5223","0.0008","19.2508","0.0016","90","","116.538","0.009","90","","3905.3","0.6","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C42 H38 Co2 N2 O12 -","- C42 H38 Co2 N2 O12 -","- C168 H152 Co8 N8 O48 -","4","0.5","","Kundu, Arunangshu; Saikia, Swagata; Majumder, Manoj; Sengupta, Oindrila; Bhattacharya, Biswajit; De, Gobinda Chandra; Ghosh, Sushobhan","New Set of Multicomponent Crystals as Efficient Heterogeneous Catalysts for the Synthesis of Cyclic Carbonates.","ACS omega","2019","4","3","5221","5232","10.1021/acsomega.9b00101","","","0.71073","MoKα","","0.1624","0.1031","","","0.248","0.2843","","","","","","1.081","","","","has coordinates","239655","2020-10-21","18:00:00",""
"4516961","21.5019","0.0011","10.4986","0.0005","19.2899","0.0011","90","","116.769","0.004","90","","3887.8","0.4","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C42 H38 N2 O12 Zn2 -","- C42 H38 N2 O12 Zn2 -","- C168 H152 N8 O48 Zn8 -","4","0.5","","Kundu, Arunangshu; Saikia, Swagata; Majumder, Manoj; Sengupta, Oindrila; Bhattacharya, Biswajit; De, Gobinda Chandra; Ghosh, Sushobhan","New Set of Multicomponent Crystals as Efficient Heterogeneous Catalysts for the Synthesis of Cyclic Carbonates.","ACS omega","2019","4","3","5221","5232","10.1021/acsomega.9b00101","","","0.71073","MoKα","","0.0542","0.039","","","0.1014","0.1142","","","","","","1.032","","","","has coordinates","301843","2025-08-21","01:58:47",""
"4516962","14.7048","0.0011","5.6391","0.0004","21.9019","0.0016","90","","90","","90","","1816.1","0.2","296","2","296","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C10 H10 O4 -","- C10 H10 O4 -","- C80 H80 O32 -","8","2","","Kundu, Arunangshu; Saikia, Swagata; Majumder, Manoj; Sengupta, Oindrila; Bhattacharya, Biswajit; De, Gobinda Chandra; Ghosh, Sushobhan","New Set of Multicomponent Crystals as Efficient Heterogeneous Catalysts for the Synthesis of Cyclic Carbonates.","ACS omega","2019","4","3","5221","5232","10.1021/acsomega.9b00101","","","0.71073","MoKα","","0.0748","0.0574","","","0.1499","0.1683","","","","","","1.065","","","","has coordinates,has disorder","301843","2025-08-21","01:58:47",""
"4516963","9.8243","0.0008","10.0464","0.0008","17.8772","0.0017","79.023","0.008","85.859","0.008","63.135","0.005","1545","0.2","93","","93","","","","","","","","","7","P -1","-P 1","2","","","","- C26 H42 Cl2 N O Si2 V -","- C26 H42 Cl2 N O Si2 V -","- C52 H84 Cl4 N2 O2 Si4 V2 -","2","1","","Hayashibara, Hitomi; Ngamnithiporn, Aurapat; Nomura, Kotohiro","Reactions of (Arylimido)vanadium(V)-Trialkyl Complexes with Phenols: Effects of Arylimido Ligands and Phenols for Formation of the Vanadium Phenoxides.","ACS omega","2019","4","3","5818","5828","10.1021/acsomega.9b00531","","","0.71075","MoKα","","0.0385","0.0344","","","0.1098","0.1266","","","","","","1.224","","","","has coordinates","239658","2020-10-21","18:00:00",""
"4516964","20.565","0.003","7.6846","0.001","14.6916","0.0019","90","","130.5","0.002","90","","1765.5","0.4","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C H N O Zn -","- C2.4 H1.6 N3.2 Zn0.4 -","- C48 H32 N64 Zn8 -","20","2.5","","Chi-Durán, Ignacio; Enríquez, Javier; Manquián, Carolina; Fritz, Rubén Alejandro; Vega, Andrés; Serafini, Daniel; Herrera, Felipe; Singh, Dinesh Pratap","Azide-Based High-Energy Metal-Organic Frameworks with Enhanced Thermal Stability.","ACS omega","2019","4","11","14398","14403","10.1021/acsomega.9b01127","","","0.71073","MoKα","","0.0484","0.0469","","","0.1138","0.1148","","","","","","1.101","","","","has coordinates","239659","2020-10-21","18:00:00",""
"4516965","10.2684","0.0002","24.0869","0.0006","11.3063","0.0003","90","","90.394","0.002","90","","2796.37","0.12","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C58 H68 Cl4 N5 O8 -","- C58 H63 Cl4 N5 O8 -","- C116 H126 Cl8 N10 O16 -","2","1","","Debnath, Mintu; Sasmal, Supriya; Podder, Debasish; Haldar, Debasish","Pentapeptide Nanoreactor as a Platform for Halogenations, Diels-Alder Reaction, and Morita-Baylis-Hillman Reaction.","ACS omega","2019","4","9","13872","13878","10.1021/acsomega.9b01393","","x-ray","0.71073","MoKα","","0.0408","0.0368","","","0.1072","0.1132","","","","","","0.837","","","","has coordinates","239660","2020-10-21","18:00:00",""
"4516966","10.719","0.0003","22.6325","0.0006","11.0891","0.0003","90","","91.415","0.002","90","","2689.37","0.13","100","0.1","100","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C58 H69 N7 O8 -","- C58 H69 N7 O8 -","- C116 H138 N14 O16 -","2","1","","Debnath, Mintu; Sasmal, Supriya; Podder, Debasish; Haldar, Debasish","Pentapeptide Nanoreactor as a Platform for Halogenations, Diels-Alder Reaction, and Morita-Baylis-Hillman Reaction.","ACS omega","2019","4","9","13872","13878","10.1021/acsomega.9b01393","","x-ray","0.71073","MoKα","","0.0444","0.0413","","","0.0986","0.1007","","","","","","1.066","","","","has coordinates","301843","2025-08-21","01:58:47",""
"4516967","11.002","0.003","13.517","0.004","13.733","0.004","90","","90.081","0.004","90","","2042.3","1","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H20 N4 O4 S2 -","- C19 H20 N4 O4 S2 -","- C76 H80 N16 O16 S8 -","4","1","","Singh, Munendra Pal; Baruah, Jubaraj B.","Combinations of Tautomeric Forms and Neutral-Cationic Forms in the Cocrystals of Sulfamethazine with Carboxylic Acids.","ACS omega","2019","4","7","11609","11620","10.1021/acsomega.9b01437","","","0.71073","MoKα","","0.0684","0.0585","","","0.1708","0.1816","","","","","","1.043","","","","has coordinates","301843","2025-08-21","01:58:47",""
"4516968","8.1221","0.0008","22.8639","0.0013","13.0456","0.0011","90","","106.673","0.009","90","","2320.8","0.3","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H23 N5 O7 S -","- C20 H23 N5 O7 S -","- C80 H92 N20 O28 S4 -","4","1","","Singh, Munendra Pal; Baruah, Jubaraj B.","Combinations of Tautomeric Forms and Neutral-Cationic Forms in the Cocrystals of Sulfamethazine with Carboxylic Acids.","ACS omega","2019","4","7","11609","11620","10.1021/acsomega.9b01437","","","0.71073","MoKα","","0.1294","0.0828","","","0.1258","0.141","","","","","","1.091","","","","has coordinates","301843","2025-08-21","01:58:47",""
"4516969","9.3634","0.0012","29.19","0.004","9.6803","0.0012","90","","102.118","0.002","90","","2586.8","0.6","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H26 N6 O6 S -","- C25 H26 N6 O6 S -","- C100 H104 N24 O24 S4 -","4","1","","Singh, Munendra Pal; Baruah, Jubaraj B.","Combinations of Tautomeric Forms and Neutral-Cationic Forms in the Cocrystals of Sulfamethazine with Carboxylic Acids.","ACS omega","2019","4","7","11609","11620","10.1021/acsomega.9b01437","","","0.71073","MoKα","","0.0728","0.0523","","","0.1498","0.1664","","","","","","1.02","","","","has coordinates","301843","2025-08-21","01:58:47",""
"4516970","13.4476","0.0016","18.841","0.002","18.531","0.002","90","","99.115","0.004","90","","4635.8","0.9","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H26 N4 O6 S -","- C21 H26 N4 O6 S -","- C168 H208 N32 O48 S8 -","8","2","","Singh, Munendra Pal; Baruah, Jubaraj B.","Combinations of Tautomeric Forms and Neutral-Cationic Forms in the Cocrystals of Sulfamethazine with Carboxylic Acids.","ACS omega","2019","4","7","11609","11620","10.1021/acsomega.9b01437","","","0.71073","MoKα","","0.1004","0.0625","","","0.1599","0.1904","","","","","","1.03","","","","has coordinates","301843","2025-08-21","01:58:47",""
"4516971","19.5803","0.0008","14.339","0.0007","18.2135","0.0007","90","","90.225","0.003","90","","5113.6","0.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C50 H52 N8 O10 S2 -","- C50 H52 N8 O10 S2 -","- C200 H208 N32 O40 S8 -","4","1","","Singh, Munendra Pal; Baruah, Jubaraj B.","Combinations of Tautomeric Forms and Neutral-Cationic Forms in the Cocrystals of Sulfamethazine with Carboxylic Acids.","ACS omega","2019","4","7","11609","11620","10.1021/acsomega.9b01437","","","0.71073","MoKα","","0.1102","0.0775","","","0.1482","0.1633","","","","","","1.177","","","","has coordinates","301843","2025-08-21","01:58:47",""
"4516972","11.88223","0.00007","15.04355","0.0001","15.39444","0.00008","90","","90.6397","0.0005","90","","2751.6","0.03","99.9","0.9","99.9","0.9","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C33 H27 Ir N2 O6 -","- C33 H27 Ir N2 O6 -","- C132 H108 Ir4 N8 O24 -","4","0.5","","Kim, Taemin; Hong, Jong-In","Photoluminescence and Electrochemiluminescence Dual-Signaling Sensors for Selective Detection of Cysteine Based on Iridium(III) Complexes.","ACS omega","2019","4","7","12616","12625","10.1021/acsomega.9b01501","","x-ray","1.54184","CuKα","","0.0153","0.015","","","0.0384","0.0385","","","","","","1.089","","","","has coordinates","239663","2020-10-21","18:00:00",""
"4516973","11.7689","0.0003","11.6234","0.0003","13.7556","0.0004","90","","100.235","0.002","90","","1851.75","0.09","293","2","293","2","","","","","","","synthesized","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H21 N3 O5 -","- C20 H21 N3 O5 -","- C80 H84 N12 O20 -","4","1","","Saigal, ?; Irfan, Mohammad; Khan, Parvez; Abid, Mohammad; Khan, Md Musawwer","Design, Synthesis, and Biological Evaluation of Novel Fused Spiro-4<i>H</i>-Pyran Derivatives as Bacterial Biofilm Disruptor.","ACS omega","2019","4","16","16794","16807","10.1021/acsomega.9b01571","","x-ray","0.71073","MoKα","","0.0521","0.0443","","","0.1241","0.1304","","","","","","1.08","","","","has coordinates","239664","2020-10-21","18:00:00",""
"4516974","24.0794","0.001","4.5338","0.0002","19.1155","0.0007","90","","92.32","0.003","90","","2085.15","0.15","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H22 N6 O -","- C24 H22 N6 O -","- C96 H88 N24 O4 -","4","1","","Ibrahim, Hamada Mohamed; Behbehani, Haider","Sustainable Synthetic Approach for (Pyrazol-4-ylidene)pyridines By Metal Catalyst-Free Aerobic C(sp<sup>2</sup>)-C(sp<sup>3</sup>) Coupling Reactions between 1-Amino-2-imino-pyridines and 1-Aryl-5-pyrazolones.","ACS omega","2019","4","7","11701","11711","10.1021/acsomega.9b01650","","","1.54178","CuKα","","0.0868","0.0499","","","0.1215","0.1461","","","","","","1.01","","","","has coordinates","301843","2025-08-21","01:58:47",""
"4516975","17.612","0.013","7.593","0.006","15.88","0.012","90","","109.057","0.009","90","","2007","3","293","","293","","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C22 H18 Br N6 O1.5 -","- C22 H18 Br N6 O1.5 -","- C88 H72 Br4 N24 O6 -","4","1","","Ibrahim, Hamada Mohamed; Behbehani, Haider","Sustainable Synthetic Approach for (Pyrazol-4-ylidene)pyridines By Metal Catalyst-Free Aerobic C(sp<sup>2</sup>)-C(sp<sup>3</sup>) Coupling Reactions between 1-Amino-2-imino-pyridines and 1-Aryl-5-pyrazolones.","ACS omega","2019","4","7","11701","11711","10.1021/acsomega.9b01650","","","0.71075","MoKα","","","0.0694","","","","0.2197","","","","","","1.039","","","","has coordinates","301843","2025-08-21","01:58:47",""
"4516976","12.8334","0.0015","18.935","0.002","21.972","0.002","66.153","0.004","86.673","0.004","89.451","0.004","4874.6","0.9","100","2","100","","","","","","","","","5","P -1","-P 1","2","","","","- C53 H57 N5 Si4 Y -","- C53 H57 N5 Si4 Y -","- C212 H228 N20 Si16 Y4 -","4","2","","Sampson, Jessica; Choi, Gyeongshin; Akhtar, Muhammed Naseem; Jaseer, E. A.; Theravalappil, Rajesh; Garcia, Nestor; Agapie, Theodor","Early Metal Di(pyridyl) Pyrrolide Complexes with Second Coordination Sphere Arene-π Interactions: Ligand Binding and Ethylene Polymerization.","ACS omega","2019","4","14","15879","15892","10.1021/acsomega.9b01788","","","0.71073","MoKα","","0.0854","0.0497","","","0.1291","0.1431","","","","","","1.124","","","","has coordinates,has disorder","301843","2025-08-21","01:58:47",""
"4516977","10.0846","0.0007","10.7246","0.0007","14.7495","0.0011","88.535","0.003","85.525","0.003","72.732","0.003","1518.66","0.19","100","2","100.05","","","","","","","","","4","P -1","-P 1","2","","","","- C36 H40 Al N3 -","- C36 H40 Al N3 -","- C72 H80 Al2 N6 -","2","1","","Sampson, Jessica; Choi, Gyeongshin; Akhtar, Muhammed Naseem; Jaseer, E. A.; Theravalappil, Rajesh; Garcia, Nestor; Agapie, Theodor","Early Metal Di(pyridyl) Pyrrolide Complexes with Second Coordination Sphere Arene-π Interactions: Ligand Binding and Ethylene Polymerization.","ACS omega","2019","4","14","15879","15892","10.1021/acsomega.9b01788","","","0.71073","MoKα","","0.1019","0.0622","","","0.1508","0.175","","","","","","1.046","","","","has coordinates","239667","2020-10-21","18:00:00",""
"4516978","11.597","0.005","16.582","0.007","21.396","0.005","96.041","0.006","104.761","0.006","94.927","0.007","3929","3","100","2","100","","","","","","","","","6","P -1","-P 1","2","","","","- C76 H96 N3 O Si4 Y -","- C76 H96 N3 O Si4 Y -","- C152 H192 N6 O2 Si8 Y2 -","2","1","","Sampson, Jessica; Choi, Gyeongshin; Akhtar, Muhammed Naseem; Jaseer, E. A.; Theravalappil, Rajesh; Garcia, Nestor; Agapie, Theodor","Early Metal Di(pyridyl) Pyrrolide Complexes with Second Coordination Sphere Arene-π Interactions: Ligand Binding and Ethylene Polymerization.","ACS omega","2019","4","14","15879","15892","10.1021/acsomega.9b01788","","","0.71073","MoKα","","0.0679","0.0499","","","0.1268","0.1367","","","","","","1.02","","","","has coordinates,has disorder","239667","2020-10-21","18:00:00",""
"4516979","12.1287","0.0007","22.4625","0.0013","24.6736","0.0014","90","","90.137","0.003","90","","6722.1","0.7","100","2","100.02","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C80 H78 N5 Si2 Y -","- C80 H78 N5 Si2 Y -","- C320 H312 N20 Si8 Y4 -","4","1","","Sampson, Jessica; Choi, Gyeongshin; Akhtar, Muhammed Naseem; Jaseer, E. A.; Theravalappil, Rajesh; Garcia, Nestor; Agapie, Theodor","Early Metal Di(pyridyl) Pyrrolide Complexes with Second Coordination Sphere Arene-π Interactions: Ligand Binding and Ethylene Polymerization.","ACS omega","2019","4","14","15879","15892","10.1021/acsomega.9b01788","","","1.54178","CuKα","","0.0443","0.0421","","","0.1042","0.106","","","","","","1.023","","","","has coordinates","301843","2025-08-21","01:58:47",""
"4516980","13.128","0.0006","20.0709","0.0009","16.0162","0.0007","90","","110.871","0.002","90","","3943.2","0.3","100","2","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H26 Cl3 N3 Zr -","- C42 H26 Cl3 N3 Zr -","- C168 H104 Cl12 N12 Zr4 -","4","1","","Sampson, Jessica; Choi, Gyeongshin; Akhtar, Muhammed Naseem; Jaseer, E. A.; Theravalappil, Rajesh; Garcia, Nestor; Agapie, Theodor","Early Metal Di(pyridyl) Pyrrolide Complexes with Second Coordination Sphere Arene-π Interactions: Ligand Binding and Ethylene Polymerization.","ACS omega","2019","4","14","15879","15892","10.1021/acsomega.9b01788","","","0.71073","MoKα","","0.029","0.0247","","","0.0655","0.0686","","","","","","1.04","","","","has coordinates","239667","2020-10-21","18:00:00",""
"4516981","13.9945","0.001","14.8672","0.0011","17.6684","0.0012","73.736","0.003","87.627","0.003","88.402","0.003","3525.4","0.4","100","2","100","","","","","","","","","4","P -1","-P 1","2","","","","- C38 H48 N6 Ti -","- C38 H48 N6 Ti -","- C152 H192 N24 Ti4 -","4","2","","Sampson, Jessica; Choi, Gyeongshin; Akhtar, Muhammed Naseem; Jaseer, E. A.; Theravalappil, Rajesh; Garcia, Nestor; Agapie, Theodor","Early Metal Di(pyridyl) Pyrrolide Complexes with Second Coordination Sphere Arene-π Interactions: Ligand Binding and Ethylene Polymerization.","ACS omega","2019","4","14","15879","15892","10.1021/acsomega.9b01788","","","0.71073","MoKα","","0.0456","0.0344","","","0.0891","0.0933","","","","","","1.035","","","","has coordinates","301843","2025-08-21","01:58:47",""
"4516982","9.9856","0.0003","19.6192","0.0005","19.7416","0.0006","90.133","0.002","92.002","0.002","99.276","0.002","3814.54","0.19","183","2","183","2","","","","","","","","7","P -1","-P 1","2","","","","- C68 H54 F18 Gd2 N6 O16 S4 -","- C68 H54 F18 Gd2 N6 O16 S4 -","- C136 H108 F36 Gd4 N12 O32 S8 -","2","1","","Fu, Cai-Ye; Chen, Lu; Wang, Xuan; Lin, Li-Rong","Synthesis of Bis-β-Diketonate Lanthanide Complexes with an Azobenzene Bridge and Studies of Their Reversible Photo/Thermal Isomerization Properties.","ACS omega","2019","4","13","15530","15538","10.1021/acsomega.9b01817","","","0.71073","MoKα","","0.0442","0.0351","","","0.0791","0.0836","","","","","","1.037","","","","has coordinates,has disorder","239668","2020-10-21","18:00:00",""
"4516983","9.9699","0.0004","19.6079","0.0008","19.731","0.0008","90.217","0.003","91.986","0.003","99.345","0.003","3803.5","0.3","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C68 H54 F18 N6 O16 S4 Tb2 -","- C68 H54 F18 N6 O16 S4 Tb2 -","- C136 H108 F36 N12 O32 S8 Tb4 -","2","1","","Fu, Cai-Ye; Chen, Lu; Wang, Xuan; Lin, Li-Rong","Synthesis of Bis-β-Diketonate Lanthanide Complexes with an Azobenzene Bridge and Studies of Their Reversible Photo/Thermal Isomerization Properties.","ACS omega","2019","4","13","15530","15538","10.1021/acsomega.9b01817","","","0.71073","MoKα","","0.0733","0.0499","","","0.0855","0.0948","","","","","","1.065","","","","has coordinates,has disorder","239669","2020-10-21","18:00:00",""
"4516984","9.9929","0.0002","19.6326","0.0005","19.7711","0.0005","90.085","0.002","91.986","0.002","99.198","0.002","3826.55","0.16","183","2","183","2","","","","","","","","7","P -1","-P 1","2","","","","- C68 H54 Eu2 F18 N6 O16 S4 -","- C68 H54 Eu2 F18 N6 O16 S4 -","- C136 H108 Eu4 F36 N12 O32 S8 -","2","1","","Fu, Cai-Ye; Chen, Lu; Wang, Xuan; Lin, Li-Rong","Synthesis of Bis-β-Diketonate Lanthanide Complexes with an Azobenzene Bridge and Studies of Their Reversible Photo/Thermal Isomerization Properties.","ACS omega","2019","4","13","15530","15538","10.1021/acsomega.9b01817","","","0.71073","MoKα","","0.044","0.0355","","","0.0794","0.0833","","","","","","1.038","","","","has coordinates,has disorder","239670","2020-10-21","18:00:00",""
"4516985","9.3998","0.0007","10.5054","0.0008","13.1922","0.0011","96.831","0.002","101.592","0.002","114.954","0.002","1126.16","0.15","273","2","273.15","","","","","","","","","5","P -1","-P 1","2","","","","- C22 H15 N4 O10 Tb -","- C22 H15 N4 O10 Tb -","- C44 H30 N8 O20 Tb2 -","2","1","","Zhao, Shenglu; Xiao, Jiannan; Zheng, Tianxiang; Liu, Meiying; Wu, Haonan; Liu, Zhiliang","Highly Selective and Sensitive Detection of PO<sub>4</sub><sup>3-</sup> Ions in Aqueous Solution by a Luminescent Terbium Metal-Organic Framework.","ACS omega","2019","4","15","16378","16384","10.1021/acsomega.9b01911","","","0.71073","MoKα","","0.0171","0.0171","","","0.0582","0.0583","","","","","","1.009","","","","has coordinates","239671","2020-10-21","18:00:00",""
"4516986","12.232","0.002","15.846","0.003","15.553","0.003","90","","105.279","0.003","90","","2908.1","0.9","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C31 H31 Ir N3 O5 P -","- C31 H31 Ir N3 O5 P -","- C124 H124 Ir4 N12 O20 P4 -","4","1","","Zeng, Dai; Yuan, Xiang-Ai; Liu, Jing-Cui; Li, Li; Wang, Lu-Ping; Qin, Ming-Feng; Bao, Song-Song; Ma, Jing; Zheng, Li-Min","Cyclometalated Iridium(III) Complexes Incorporating Aromatic Phosphonate Ligands: Syntheses, Structures, and Tunable Optical Properties.","ACS omega","2019","4","15","16543","16550","10.1021/acsomega.9b02311","","","0.71073","MoKα","","0.0415","0.0315","","","0.0926","0.0991","","","","","","1.021","","","","has coordinates","239672","2020-10-21","18:00:00",""
"4516987","34.92","0.03","10.096","0.008","16.247","0.013","90","","104.98","0.014","90","","5533","8","296","2","296","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C27 H17 F4 Ir N3 O3 P -","- C27 H17 F4 Ir N3 O3 P -","- C216 H136 F32 Ir8 N24 O24 P8 -","8","1","","Zeng, Dai; Yuan, Xiang-Ai; Liu, Jing-Cui; Li, Li; Wang, Lu-Ping; Qin, Ming-Feng; Bao, Song-Song; Ma, Jing; Zheng, Li-Min","Cyclometalated Iridium(III) Complexes Incorporating Aromatic Phosphonate Ligands: Syntheses, Structures, and Tunable Optical Properties.","ACS omega","2019","4","15","16543","16550","10.1021/acsomega.9b02311","","","0.71073","MoKα","","0.0324","0.027","","","0.0748","0.0781","","","","","","0.97","","","","has coordinates","239673","2020-10-21","18:00:00",""
"4516988","16.7562","0.0006","12.0231","0.0005","11.4859","0.0004","90","","90","","90","","2313.97","0.15","142","2","142","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C21 H32 N2 O Si2 Sn -","- C21 H32 N2 O Si2 Sn -","- C84 H128 N8 O4 Si8 Sn4 -","4","0.5","","Wirtz, Lisa; Jourdain, Matthias; Huch, Volker; Zimmer, Michael; Schäfer, André","Synthesis, Structure, and Reactivity of Disiloxa[3]tetrelocenophanes.","ACS omega","2019","4","19","18355","18360","10.1021/acsomega.9b02605","","","0.71073","MoKα","","0.0361","0.0247","","","0.0535","0.0574","","","","","","1.016","","","","has coordinates","239674","2020-10-21","18:00:00",""
"4516989","6.5883","0.0007","15.0745","0.0016","16.3118","0.0018","90","","99.563","0.004","90","","1597.5","0.3","152","2","152","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H20 O Si2 Sn -","- C14 H20 O Si2 Sn -","- C56 H80 O4 Si8 Sn4 -","4","1","","Wirtz, Lisa; Jourdain, Matthias; Huch, Volker; Zimmer, Michael; Schäfer, André","Synthesis, Structure, and Reactivity of Disiloxa[3]tetrelocenophanes.","ACS omega","2019","4","19","18355","18360","10.1021/acsomega.9b02605","","","0.71073","MoKα","","0.0554","0.0294","","","0.06","0.0659","","","","","","1.025","","","","has coordinates","301843","2025-08-21","01:58:47",""
"4516990","6.4984","0.0003","15.098","0.0008","16.2057","0.0008","90","","100.832","0.002","90","","1561.66","0.13","152","2","152","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H20 Ge O Si2 -","- C14 H20 Ge O Si2 -","- C56 H80 Ge4 O4 Si8 -","4","1","","Wirtz, Lisa; Jourdain, Matthias; Huch, Volker; Zimmer, Michael; Schäfer, André","Synthesis, Structure, and Reactivity of Disiloxa[3]tetrelocenophanes.","ACS omega","2019","4","19","18355","18360","10.1021/acsomega.9b02605","","","0.71073","MoKα","","0.0353","0.0238","","","0.0603","0.0636","","","","","","1.02","","","","has coordinates","239676","2020-10-21","18:00:00",""
"4516991","14.6027","0.0005","21.7849","0.0009","31.2862","0.0013","90","","98.897","0.002","90","","9833","0.7","172","2","172","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H20 O Pb Si2 -","- C14 H20 O Pb Si2 -","- C336 H480 O24 Pb24 Si48 -","24","6","","Wirtz, Lisa; Jourdain, Matthias; Huch, Volker; Zimmer, Michael; Schäfer, André","Synthesis, Structure, and Reactivity of Disiloxa[3]tetrelocenophanes.","ACS omega","2019","4","19","18355","18360","10.1021/acsomega.9b02605","","","0.71073","MoKα","","0.0741","0.0425","","","0.0782","0.0898","","","","","","1.057","","","","has coordinates,has disorder","239677","2020-10-21","18:00:00",""
"4516992","16.8368","0.0012","12.0431","0.0008","11.5413","0.0009","90","","90","","90","","2340.2","0.3","133","2","133","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C21 H32 N2 O Pb Si2 -","- C21 H32 N2 O Pb Si2 -","- C84 H128 N8 O4 Pb4 Si8 -","4","0.5","","Wirtz, Lisa; Jourdain, Matthias; Huch, Volker; Zimmer, Michael; Schäfer, André","Synthesis, Structure, and Reactivity of Disiloxa[3]tetrelocenophanes.","ACS omega","2019","4","19","18355","18360","10.1021/acsomega.9b02605","","","0.71073","MoKα","","0.0559","0.0426","","","0.0745","0.0775","","","","","","1.247","","","","has coordinates","239678","2020-10-21","18:00:00",""
"4516993","7.3045","0.0003","7.6279","0.0004","11.8666","0.0004","78.431","0.004","87.969","0.003","62.9","0.005","575.45","0.05","109.99","0.1","109.99","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C15 H8 Br N O -","- C15 H8 Br N O -","- C30 H16 Br2 N2 O2 -","2","1","","Zou, Song; Liu, Yu; Xi, Chanjuan","Concise and Efficient Synthesis of Indole-Indolone Scaffolds through MeOTf-Induced Annulation of <i>N</i>-(2-Cyanoaryl)indoles.","ACS omega","2019","4","20","18734","18740","10.1021/acsomega.9b02679","","x-ray","1.54184","CuKα","","0.0296","0.0241","","","0.0603","0.0654","","","","","","1.116","","","","has coordinates","301843","2025-08-21","01:58:47",""
"4516994","7.2824","0.0002","8.2333","0.0003","9.9984","0.0004","97.9","0.003","90.784","0.003","104.758","0.003","573.46","0.04","169.99","0.11","169.99","0.11","","","","","","","","4","P -1","-P 1","2","","","","- C16 H11 N O2 -","- C16 H11 N O2 -","- C32 H22 N2 O4 -","2","1","","Zou, Song; Liu, Yu; Xi, Chanjuan","Concise and Efficient Synthesis of Indole-Indolone Scaffolds through MeOTf-Induced Annulation of <i>N</i>-(2-Cyanoaryl)indoles.","ACS omega","2019","4","20","18734","18740","10.1021/acsomega.9b02679","","x-ray","1.54184","CuKα","","0.0423","0.0367","","","0.0992","0.1062","","","","","","1.072","","","","has coordinates","301843","2025-08-21","01:58:47",""
"4516995","7.8659","0.0005","10.7334","0.0005","15.3411","0.0009","102.735","0.005","93.637","0.005","107.559","0.005","1192.67","0.13","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H20 Cu N2 O7 -","- C28 H20 Cu N2 O7 -","- C56 H40 Cu2 N4 O14 -","2","1","","Nath, Jitendra; Tarai, Arup; Baruah, Jubaraj B.","Copper(II), Zinc(II), and Cadmium(II) Formylbenzoate Complexes: Reactivity and Emission Properties.","ACS omega","2019","4","19","18444","18455","10.1021/acsomega.9b02779","","","0.71073","MoKα","","0.0767","0.0678","","","0.1796","0.187","","","","","","1.07","","","","has coordinates","301843","2025-08-21","01:58:47",""
"4516996","7.6269","0.0002","18.8777","0.0006","16.9569","0.0006","90","","101.225","0.002","90","","2394.72","0.13","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H18 N2 O6 Zn -","- C28 H18 N2 O6 Zn -","- C112 H72 N8 O24 Zn4 -","4","1","","Nath, Jitendra; Tarai, Arup; Baruah, Jubaraj B.","Copper(II), Zinc(II), and Cadmium(II) Formylbenzoate Complexes: Reactivity and Emission Properties.","ACS omega","2019","4","19","18444","18455","10.1021/acsomega.9b02779","","","0.71073","MoKα","","0.0643","0.0393","","","0.0945","0.1052","","","","","","1.086","","","","has coordinates","301843","2025-08-21","01:58:47",""
"4516997","13.6241","0.0005","19.7951","0.0009","15.5784","0.0006","90","","107.568","0.004","90","","4005.4","0.3","296","2","296","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C40 H34 Cl2 Cu N6 O8 -","- C40 H34 Cl2 Cu N6 O8 -","- C160 H136 Cl8 Cu4 N24 O32 -","4","0.5","","Nath, Jitendra; Tarai, Arup; Baruah, Jubaraj B.","Copper(II), Zinc(II), and Cadmium(II) Formylbenzoate Complexes: Reactivity and Emission Properties.","ACS omega","2019","4","19","18444","18455","10.1021/acsomega.9b02779","","","0.71073","MoKα","","0.0633","0.045","","","0.1339","0.1556","","","","","","1.004","","","","has coordinates","239681","2020-10-21","18:00:00",""
"4516998","13.3912","0.0013","13.7749","0.0009","13.12","0.0016","90","","116.239","0.014","90","","2170.8","0.5","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H22 Cl Cu N3 O8 -","- C20 H22 Cl Cu N3 O8 -","- C80 H88 Cl4 Cu4 N12 O32 -","4","1","","Nath, Jitendra; Tarai, Arup; Baruah, Jubaraj B.","Copper(II), Zinc(II), and Cadmium(II) Formylbenzoate Complexes: Reactivity and Emission Properties.","ACS omega","2019","4","19","18444","18455","10.1021/acsomega.9b02779","","","0.71073","MoKα","","0.0583","0.0485","","","0.1299","0.136","","","","","","1.072","","","","has coordinates","239681","2020-10-21","18:00:00",""
"4516999","16.1308","0.0005","23.6787","0.0007","9.7385","0.0003","90","","90","","90","","3719.7","0.2","296","2","296","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C84 H54 Cd3 N6 O18 -","- C84 H54 Cd3 N6 O18 -","- C168 H108 Cd6 N12 O36 -","2","0.5","","Nath, Jitendra; Tarai, Arup; Baruah, Jubaraj B.","Copper(II), Zinc(II), and Cadmium(II) Formylbenzoate Complexes: Reactivity and Emission Properties.","ACS omega","2019","4","19","18444","18455","10.1021/acsomega.9b02779","","","0.71073","MoKα","","0.0422","0.031","","","0.0413","0.0429","","","","","","1.245","","","","has coordinates","239681","2020-10-21","18:00:00",""
"4517000","11.1068","0.0005","12.9223","0.0006","19.2069","0.0008","77.295","0.004","74.617","0.004","83.817","0.005","2589.3","0.2","93","","93","","","","","","","","","7","P -1","-P 1","2","","","","- C51 H40 B Cl2 F15 N3 V -","- C51 H40 B Cl2 F15 N3 V -","- C102 H80 B2 Cl4 F30 N6 V2 -","2","1","","Nomura, Kotohiro; Nagai, Go; Izawa, Itsuki; Mitsudome, Takato; Tamm, Matthias; Yamazoe, Seiji","XAS Analysis of Reactions of (Arylimido)vanadium(V) Dichloride Complexes Containing Anionic NHC That Contains a Weakly Coordinating B(C<sub>6</sub>F<sub>5</sub>)<sub>3</sub> Moiety (WCA-NHC) or Phenoxide Ligands with Al Alkyls: A Potential Ethylene Polymerization Catalyst with WCA-NHC Ligands.","ACS omega","2019","4","20","18833","18845","10.1021/acsomega.9b02828","","","0.71075","MoKα","","0.0545","0.0462","","","0.1465","0.1505","","","","","","1.072","","","","has coordinates","239683","2020-10-21","18:00:00",""
"4517001","23.5392","0.0006","16.1604","0.0005","31.5068","0.0008","90","","97.42","0.002","90","","11884.9","0.6","296","","296","","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C53 H44 B Cl2 F15 N3 V -","- C53 H44 B Cl1.7416 F15 N3 V -","- C424 H352 B8 Cl13.9328 F120 N24 V8 -","8","1","","Nomura, Kotohiro; Nagai, Go; Izawa, Itsuki; Mitsudome, Takato; Tamm, Matthias; Yamazoe, Seiji","XAS Analysis of Reactions of (Arylimido)vanadium(V) Dichloride Complexes Containing Anionic NHC That Contains a Weakly Coordinating B(C<sub>6</sub>F<sub>5</sub>)<sub>3</sub> Moiety (WCA-NHC) or Phenoxide Ligands with Al Alkyls: A Potential Ethylene Polymerization Catalyst with WCA-NHC Ligands.","ACS omega","2019","4","20","18833","18845","10.1021/acsomega.9b02828","","","0.71073","MoKα","","0.0798","0.0511","","","0.1527","0.166","","","","","","1.082","","","","has coordinates","239683","2020-10-21","18:00:00",""
"4517132","19.732","0.009","17.324","0.009","9.857","0.005","90","","96.091","0.006","90","","3350","3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H36 Br2 N2 O5 -","- C36 H36 Br2 N2 O5 -","- C144 H144 Br8 N8 O20 -","4","1","","Yang, Jun-Li; Ma, Yong-Hui; Li, Yan-Hua; Zhang, Yi-Peng; Tian, Hong-Chang; Huang, Yuan-Cheng; Li, Yan; Chen, Wen; Yang, Li-Juan","Design, Synthesis, and Anticancer Activity of Novel Trimethoxyphenyl-Derived Chalcone-Benzimidazolium Salts","ACS Omega","2019","4","23","20381","","10.1021/acsomega.9b03077","","","0.71073","MoKα","","0.1441","0.0519","","","0.0942","0.1166","","","","","","0.876","","","","has coordinates,has disorder","246539","2020-10-21","18:00:00",""
"4517133","7.2508","0.0019","8.01","0.003","8.795","0.002","82.177","0.011","70.183","0.007","64.893","0.007","435.1","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H12 Fe2 N2 O12 -","- C14 H10 Fe2 N2 O12 -","- C14 H10 Fe2 N2 O12 -","1","0.5","","Adhikary, Amit; Akhtar, Sohel; Pariyar, Anand; Batsanov, Andrei S.; Mondal, Raju","Correction to “Temperature-Induced Single-Crystal-to-Single-Crystal Transformations with Consequential Changes in the Magnetic Properties of Fe(III) Complexes”","ACS Omega","2019","4","23","20423","","10.1021/acsomega.9b03593","","","0.71073","MoKα","","0.1589","0.0901","","","0.2371","0.2811","","","","","","1.089","","","","has coordinates","246540","2020-10-21","18:00:00",""
"4517134","11.3981","0.0011","21.713","0.002","7.5145","0.0007","90","","90.043","0.004","90","","1859.7","0.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H14 Fe2 N2 O13 -","- C14 H11 Fe2 N2 O13 -","- C56 H44 Fe8 N8 O52 -","4","0.5","","Adhikary, Amit; Akhtar, Sohel; Pariyar, Anand; Batsanov, Andrei S.; Mondal, Raju","Correction to “Temperature-Induced Single-Crystal-to-Single-Crystal Transformations with Consequential Changes in the Magnetic Properties of Fe(III) Complexes”","ACS Omega","2019","4","23","20423","","10.1021/acsomega.9b03593","","","0.71073","MoKα","","0.0829","0.0494","","","0.1271","0.1517","","","","","","1.059","","","","has coordinates","246540","2020-10-21","18:00:00",""
"4517135","19.559","0.003","13.6319","0.0019","24.52","0.004","90","","106.255","0.004","90","","6276.3","1.7","273","2","273","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C56 H64 Co4 F6 N15 O16 P -","- C56 H64 Co4 F6 N15 O16 P -","- C224 H256 Co16 F24 N60 O64 P4 -","4","0.5","","Banerjee, Abhisek; Banerjee, Snehasis; Gómez García, Carlos J.; Benmansour, Samia; Chattopadhyay, Shouvik","Magnetic Properties of End-to-End Azide-Bridged Tetranuclear Mixed-Valence Cobalt(III)/Cobalt(II) Complexes with Reduced Schiff Base Blocking Ligands and DFT Study","ACS Omega","2019","","","","","10.1021/acsomega.9b02764","","","0.71073","MoKα","","0.1233","0.072","","","0.1855","0.2331","","","","","","1.036","","","","has coordinates,has disorder","242188","2020-10-21","18:00:00",""
"4517136","19","0.005","13.808","0.004","24.205","0.008","90","","104.68","0.009","90","","6143","3","150","2","150","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C52 H56 Co4 F6 N15 O16 P -","- C52 H56 Co4 F6 N15 O16 P -","- C208 H224 Co16 F24 N60 O64 P4 -","4","0.5","","Banerjee, Abhisek; Banerjee, Snehasis; Gómez García, Carlos J.; Benmansour, Samia; Chattopadhyay, Shouvik","Magnetic Properties of End-to-End Azide-Bridged Tetranuclear Mixed-Valence Cobalt(III)/Cobalt(II) Complexes with Reduced Schiff Base Blocking Ligands and DFT Study","ACS Omega","2019","","","","","10.1021/acsomega.9b02764","","","0.71073","MoKα","","0.0383","0.0368","","","0.0948","0.0962","","","","","","1.048","","","","has coordinates,has disorder","301843","2025-08-21","01:58:47",""
"4517156","9.5238","0.0004","12.2283","0.0006","13.4495","0.0006","79.596","0.004","80.582","0.004","88.007","0.004","1519.79","0.12","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C18 H30 N3 Nd O12 -","- C18 H30 N3 Nd O12 -","- C36 H60 N6 Nd2 O24 -","2","1","","Ibrahim, Sherif M.; Zhang, Yan; Xue, Yun; Yang, Suliang; Ma, Fuqiu; Gao, Yang; Zhou, Yu; Tian, Guoxin","Selective Extraction of Light Lanthanides(III) by N,N-Di(2-ethylhexyl)-diglycolamic Acid: A Comparative Study with N,N-Dimethyl-diglycolamic Acid as a Chelator in Aqueous Solutions","ACS Omega","2019","","","","","10.1021/acsomega.9b03241","","x-ray","0.71073","MoKα","","0.0389","0.0321","","","0.0561","0.0586","","","","","","0.993","","","","has coordinates","301843","2025-08-21","01:58:47",""
"4517157","9.4804","0.0005","12.3468","0.001","13.5959","0.001","79.729","0.006","80.339","0.005","87.876","0.005","1543.68","0.19","150.01","0.1","150.01","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C18 H30 La N3 O12 -","- C18 H30 La N3 O12 -","- C36 H60 La2 N6 O24 -","2","1","","Ibrahim, Sherif M.; Zhang, Yan; Xue, Yun; Yang, Suliang; Ma, Fuqiu; Gao, Yang; Zhou, Yu; Tian, Guoxin","Selective Extraction of Light Lanthanides(III) by N,N-Di(2-ethylhexyl)-diglycolamic Acid: A Comparative Study with N,N-Dimethyl-diglycolamic Acid as a Chelator in Aqueous Solutions","ACS Omega","2019","","","","","10.1021/acsomega.9b03241","","x-ray","0.71073","MoKα","","0.0566","0.0446","","","0.0795","0.0858","","","","","","0.962","","","","has coordinates","301843","2025-08-21","01:58:47",""
"4517188","9.75071","0.00005","15.60697","0.0001","21.237","0.00009","90","","90","","90","","3231.83","0.03","100.1","","100.1","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","Cp*Ir(L-pro)Cl","","- C15 H24 Cl Ir N O2.5 -","- C15 H24 Cl Ir N O2.5 -","- C120 H192 Cl8 Ir8 N8 O20 -","8","2","","Morris, David M.; Merola, Joseph S.","Octametallic Cluster of Cp*Ir(glycinato) Cations.","ACS omega","2019","4","26","22126","22132","10.1021/acsomega.9b03267","","x-ray","0.71073","MoKα","","0.0244","0.0201","","","0.0322","0.0333","","","","","","1.113","","","","has coordinates","251896","2020-10-21","18:00:00",""
"4517189","12.8063","0.0003","14.5872","0.0003","16.3284","0.0003","90","","90","","90","","3050.28","0.11","100.1","","100.1","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C12.5 H20 Cl2 Ir N O2 -","- C12.5 H20 Cl2 Ir N O2 -","- C100 H160 Cl16 Ir8 N8 O16 -","8","2","","Morris, David M.; Merola, Joseph S.","Octametallic Cluster of Cp*Ir(glycinato) Cations.","ACS omega","2019","4","26","22126","22132","10.1021/acsomega.9b03267","","","0.71073","MoKα","","0.0409","0.0337","","","0.0557","0.0602","","","","","","0.86","","","","has coordinates","251896","2020-10-21","18:00:00",""
"4517190","9.7519","0.0002","8.5712","0.0001","11.3815","0.0002","90","","105.931","0.002","90","","914.79","0.03","99.8","0.5","99.8","0.5","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C14 H22 B F4 Ir N2 O2 -","- C14 H22 B F4 Ir N2 O2 -","- C28 H44 B2 F8 Ir2 N4 O4 -","2","1","","Morris, David M.; Merola, Joseph S.","Octametallic Cluster of Cp*Ir(glycinato) Cations.","ACS omega","2019","4","26","22126","22132","10.1021/acsomega.9b03267","","x-ray","0.71073","MoKα","","0.0365","0.0303","","","0.0545","0.057","","","","","","1.043","","","","has coordinates","246537","2020-10-21","18:00:00",""
"4517191","17.7694","0.0004","17.7694","0.0004","12.1058","0.0003","90","","90","","120","","3310.32","0.13","100.15","","100.15","","","","","","","","","7","P 63","P 6c","173","","","","- C30 H46 F12 Ir2 N2 O4 P2 -","- C30 H46 F12 Ir2 N2 O4 P2 -","- C90 H138 F36 Ir6 N6 O12 P6 -","3","0.5","","Morris, David M.; Merola, Joseph S.","Octametallic Cluster of Cp*Ir(glycinato) Cations.","ACS omega","2019","4","26","22126","22132","10.1021/acsomega.9b03267","","","0.71073","MoKα","","0.0763","0.0451","","","0.082","0.1012","","","","","","1.082","","","","has coordinates,has disorder","246537","2020-10-21","18:00:00",""
"4517192","11.8589","0.0003","12.0553","0.0003","24.3256","0.0006","97.538","0.002","93.547","0.002","94.776","0.002","3426.29","0.15","100.05","0.1","100.15","","","","","","","","","7","P -1","-P 1","2","","","","- C54 H98 B3 F12 Ir3 N8 O11 -","- C54 H98 B3 F12 Ir3 N8 O11 -","- C108 H196 B6 F24 Ir6 N16 O22 -","2","1","","Morris, David M.; Merola, Joseph S.","Octametallic Cluster of Cp*Ir(glycinato) Cations.","ACS omega","2019","4","26","22126","22132","10.1021/acsomega.9b03267","","","0.71073","MoKα","","0.0579","0.0429","","","0.0748","0.0797","","","","","","1.065","","","","has coordinates","246537","2020-10-21","18:00:00",""
"4517193","37.569","0.002","12.7541","0.0003","36.915","0.002","90","","123.638","0.003","90","","14726.3","1.3","100","","100","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C96 H152 F48 Ir8 N8 O16 P8 -","- C96 H152 F48 Ir8 N8 O16 P8 -","- C384 H608 F192 Ir32 N32 O64 P32 -","4","0.5","","Morris, David M.; Merola, Joseph S.","Octametallic Cluster of Cp*Ir(glycinato) Cations.","ACS omega","2019","4","26","22126","22132","10.1021/acsomega.9b03267","","","0.71073","MoKα","","0.0816","0.0534","","","0.0879","0.0992","","","","","","1.063","","","","has coordinates","246537","2020-10-21","18:00:00",""
"4517194","14.4847","0.0011","14.4847","0.0011","12.3555","0.0007","90","","90","","90","","2592.3","0.3","180","2","180.15","","","","","","","","","6","I 4/m","-I 4","87","","","","- Er Ge H6 K5 O42 W11 -","- Er Ge K4 O42 W11 -","- Er2 Ge2 K8 O84 W22 -","2","0.125","","Ibrahim, Masooma; Mbomekallé, Israël M; de Oliveira, Pedro; Baksi, Ananya; Carter, Anthony B.; Peng, Yan; Bergfeldt, Thomas; Malik, Sharali; Anson, Christopher E.","Syntheses, Crystal Structure, Electrocatalytic, and Magnetic Properties of the Monolanthanide-Containing Germanotungstates [Ln(H<sub>2</sub>O) <i> <sub>n</sub> </i> GeW<sub>11</sub>O<sub>39</sub>]<sup>5-</sup> (Ln = Dy, Er, <i>n</i> = 4,3).","ACS omega","2019","4","26","21873","21882","10.1021/acsomega.9b02846","","","0.71073","MoKα","","0.0614","0.045","","","0.1224","0.132","","","","","","1.116","","","","has coordinates,has disorder","288264","2023-12-12","21:08:33",""
"4517195","14.48","0.002","14.48","0.002","12.391","0.003","90","","90","","90","","2598","0.8","180","2","180","2","","","","","","","","6","I 4/m","-I 4","87","","","","- Dy Ge H8 K5 O43 W11 -","- Dy Ge K4 O43 W11 -","- Dy2 Ge2 K8 O86 W22 -","2","0.125","","Ibrahim, Masooma; Mbomekallé, Israël M; de Oliveira, Pedro; Baksi, Ananya; Carter, Anthony B.; Peng, Yan; Bergfeldt, Thomas; Malik, Sharali; Anson, Christopher E.","Syntheses, Crystal Structure, Electrocatalytic, and Magnetic Properties of the Monolanthanide-Containing Germanotungstates [Ln(H<sub>2</sub>O) <i> <sub>n</sub> </i> GeW<sub>11</sub>O<sub>39</sub>]<sup>5-</sup> (Ln = Dy, Er, <i>n</i> = 4,3).","ACS omega","2019","4","26","21873","21882","10.1021/acsomega.9b02846","","","0.71073","MoKα","","0.0704","0.0459","","","0.1214","0.134","","","","","","1.03","","","","has coordinates,has disorder","246538","2020-10-21","18:00:00",""
"4517219","18.0203","0.0018","18.028","0.002","22.855","0.003","90","","90","","90","","7424.9","1.5","100","","100","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C32 H44.8 Fe2 N8 O17.4 -","- C32 H44.8 Fe2 N8 O17.4 -","- C256 H358.4 Fe16 N64 O139.2 -","8","1","","Beltran-Torres, Melissa; Sugich-Miranda, Rocío; Santacruz-Ortega, Hisila; Machi, Lorena; Inoue, Motomichi; Velázquez-Contreras, Enrique F.; Soberanes, Yedith; Höpfl, Herbert; Pérez-González, Refugio; Navarro, Rosa Elena; Salazar-Medina, Alex J.; Sotelo Mundo, Rogerio R.","Comparative Studies of Structures and Peroxidase-like Activities of Copper(II) and Iron(III) Complexes with an EDTA-Based Phenylene-Macrocycle and Its Acyclic Analogue","ACS Omega","2019","4","27","22487","","10.1021/acsomega.9b03164","","","0.71073","MoKα","","0.0327","0.0301","","","0.0721","0.0734","","","","","","1.095","","","","has coordinates","246535","2020-10-21","18:00:00",""
"4517220","7.3272","0.0005","13.6323","0.001","23.8535","0.0018","90","","90","","90","","2382.6","0.3","293.15","","293.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H30 N4 O8 -","- C22 H30 N4 O8 -","- C88 H120 N16 O32 -","4","1","","Beltran-Torres, Melissa; Sugich-Miranda, Rocío; Santacruz-Ortega, Hisila; Machi, Lorena; Inoue, Motomichi; Velázquez-Contreras, Enrique F.; Soberanes, Yedith; Höpfl, Herbert; Pérez-González, Refugio; Navarro, Rosa Elena; Salazar-Medina, Alex J.; Sotelo Mundo, Rogerio R.","Comparative Studies of Structures and Peroxidase-like Activities of Copper(II) and Iron(III) Complexes with an EDTA-Based Phenylene-Macrocycle and Its Acyclic Analogue","ACS Omega","2019","4","27","22487","","10.1021/acsomega.9b03164","","","0.71073","MoKα","","0.0875","0.0778","","","0.1429","0.1468","","","","","","1.274","","","","has coordinates","301843","2025-08-21","01:58:47",""
"4517221","12.1188","0.0008","18.1908","0.0012","14.0536","0.0009","90","","105.176","0.002","90","","2990.1","0.3","126","2","125.68","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C44 H58 Fe2 N10 O31 -","- C44 H58 Fe2 N10 O31 -","- C88 H116 Fe4 N20 O62 -","2","0.5","","Beltran-Torres, Melissa; Sugich-Miranda, Rocío; Santacruz-Ortega, Hisila; Machi, Lorena; Inoue, Motomichi; Velázquez-Contreras, Enrique F.; Soberanes, Yedith; Höpfl, Herbert; Pérez-González, Refugio; Navarro, Rosa Elena; Salazar-Medina, Alex J.; Sotelo Mundo, Rogerio R.","Comparative Studies of Structures and Peroxidase-like Activities of Copper(II) and Iron(III) Complexes with an EDTA-Based Phenylene-Macrocycle and Its Acyclic Analogue","ACS Omega","2019","4","27","22487","","10.1021/acsomega.9b03164","","","1.54178","CuKα","","0.0424","0.0394","","","0.1039","0.1059","","","","","","1.061","","","","has coordinates,has disorder","246535","2020-10-21","18:00:00",""
"4517222","7.2519","0.0003","16.6879","0.0009","23.0206","0.0009","90","","90","","90","","2785.9","0.2","130","2","130","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C35 H32 B Fe O P -","- C35 H32 B Fe O P -","- C140 H128 B4 Fe4 O4 P4 -","4","1","","Popp, John; Hanf, Schirin; Hey-Hawkins, Evamarie","Facile Arene Ligand Exchange in p-Cymene Ruthenium(II) Complexes of Tertiary P-Chiral Ferrocenyl Phosphines","ACS Omega","2019","4","27","22540","","10.1021/acsomega.9b03251","","x-ray","0.71073","MoKα","","0.1312","0.0661","","","0.1078","0.1307","","","","","","0.987","","","","has coordinates","246536","2020-10-21","18:00:00",""
"4517223","8.0956","0.0002","10.9588","0.0003","28.2204","0.0007","90","","90","","90","","2503.66","0.11","130","2","130","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C30 H30 B Fe O2 P -","- C30 H30 B Fe O2 P -","- C120 H120 B4 Fe4 O8 P4 -","4","1","","Popp, John; Hanf, Schirin; Hey-Hawkins, Evamarie","Facile Arene Ligand Exchange in p-Cymene Ruthenium(II) Complexes of Tertiary P-Chiral Ferrocenyl Phosphines","ACS Omega","2019","4","27","22540","","10.1021/acsomega.9b03251","","","0.71073","MoKα","","0.0411","0.0334","","","0.0605","0.0632","","","","","","1.048","","","","has coordinates","246536","2020-10-21","18:00:00",""
"4517224","8.7032","0.0008","14.3818","0.0017","15.747","0.002","69.995","0.012","86.666","0.01","73.762","0.009","1776.7","0.4","130","2","130","2","","","","","","","","7","P -1","-P 1","2","","","","- C37 H33 Cl6 Fe O P Ru -","- C37 H33 Cl6 Fe O P Ru -","- C74 H66 Cl12 Fe2 O2 P2 Ru2 -","2","1","","Popp, John; Hanf, Schirin; Hey-Hawkins, Evamarie","Facile Arene Ligand Exchange in p-Cymene Ruthenium(II) Complexes of Tertiary P-Chiral Ferrocenyl Phosphines","ACS Omega","2019","4","27","22540","","10.1021/acsomega.9b03251","","x-ray","0.71073","MoKα","","0.1844","0.0754","","","0.0909","0.1183","","","","","","0.995","","","","has coordinates","246536","2020-10-21","18:00:00",""
"4517225","10.0321","0.0002","12.8901","0.0003","17.3984","0.0003","90.327","0.002","101.504","0.002","110.961","0.002","2051.46","0.08","130","2","130","2","","","","","","","","7","P -1","-P 1","2","","","","- C42.5 H46 Cl4 Fe O2 P Ru -","- C42.5 H46 Cl4 Fe O2 P Ru -","- C85 H92 Cl8 Fe2 O4 P2 Ru2 -","2","1","","Popp, John; Hanf, Schirin; Hey-Hawkins, Evamarie","Facile Arene Ligand Exchange in p-Cymene Ruthenium(II) Complexes of Tertiary P-Chiral Ferrocenyl Phosphines","ACS Omega","2019","4","27","22540","","10.1021/acsomega.9b03251","","","0.71073","MoKα","","0.0459","0.0386","","","0.1066","0.1107","","","","","","1.09","","","","has coordinates","246536","2020-10-21","18:00:00",""
"4517226","10.8773","0.0002","19.3811","0.0004","52.8787","0.0014","90","","90","","90","","11147.6","0.4","130","2","130","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C61.01 H55.04 Cl5 Fe2 O4 P2 Ru -","- C61.01 H55.03 Cl5 Fe2 O4 P2 Ru -","- C488.08 H440.24 Cl40 Fe16 O32 P16 Ru8 -","8","2","","Popp, John; Hanf, Schirin; Hey-Hawkins, Evamarie","Facile Arene Ligand Exchange in p-Cymene Ruthenium(II) Complexes of Tertiary P-Chiral Ferrocenyl Phosphines","ACS Omega","2019","4","27","22540","","10.1021/acsomega.9b03251","","","0.71073","MoKα","","0.0928","0.0779","","","0.1793","0.1892","","","","","","1.082","","","","has coordinates,has disorder","246536","2020-10-21","18:00:00",""
"4517263","15.485","0.003","20.386","0.004","12.655","0.002","90","","101.146","0.005","90","","3919.5","1.2","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H31 Cu2 N10 O13 -","- C36 H31 Cu2 N10 O13 -","- C144 H124 Cu8 N40 O52 -","4","1","","Jana, Srikanta; Ray, Apurba; Chandra, Angeera; El Fallah, M. Salah; Das, Sachindranath; Sinha, Chittaranjan","Studies on Magnetic and Dielectric Properties of Antiferromagnetically Coupled Dinuclear Cu(II) in a One-Dimensional Cu(II) Coordination Polymer","ACS Omega","2019","","","","","10.1021/acsomega.9b02650","","","0.71073","MoKα","","0.0563","0.0451","","","0.1265","0.1445","","","","","","1.1","","","","has coordinates","245523","2020-10-21","18:00:00",""
"4517275","13.6753","0.0018","9.5139","0.0012","26.448","0.004","90","","97.271","0.004","90","","3413.4","0.8","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H34 Br2 N4 O3 -","- C36 H34 Br2 N4 O3 -","- C144 H136 Br8 N16 O12 -","4","1","","Mandal, Jayanta; Ghorai, Pravat; Pal, Kunal; Bhaumik, Tanurima; Karmakar, Parimal; Saha, Amrita","Development of Rhodamine 6G-Based Fluorescent Chemosensors for Al3±Ion Detection: Effect of Ring Strain and Substituent in Enhancing Its Sensing Performance","ACS Omega","2019","","","","","10.1021/acsomega.9b02181","","","0.71073","MoKα","","0.2351","0.0675","","","0.1484","0.2194","","","","","","0.989","","","","has coordinates,has disorder","246263","2020-10-21","18:00:00",""
"4517276","13.513","0.002","9.3806","0.0017","25.521","0.005","90","","94.479","0.006","90","","3225.2","1","143","2","143","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H36 Cl2 N4 O3 -","- C36 H36 Cl2 N4 O3 -","- C144 H144 Cl8 N16 O12 -","4","1","","Mandal, Jayanta; Ghorai, Pravat; Pal, Kunal; Bhaumik, Tanurima; Karmakar, Parimal; Saha, Amrita","Development of Rhodamine 6G-Based Fluorescent Chemosensors for Al3±Ion Detection: Effect of Ring Strain and Substituent in Enhancing Its Sensing Performance","ACS Omega","2019","","","","","10.1021/acsomega.9b02181","","","0.71073","MoKα","","0.2103","0.1957","","","0.4969","0.5038","","","","","","1.08","","","","has coordinates","301843","2025-08-21","01:58:48",""
"4517277","9.5793","0.001","12.2135","0.0012","13.5543","0.0014","92.238","0.003","107.023","0.003","96.087","0.003","1503.7","0.3","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H29 Cl2 N4 O3 -","- C33 H29 Cl2 N4 O3 -","- C66 H58 Cl4 N8 O6 -","2","1","","Mandal, Jayanta; Ghorai, Pravat; Pal, Kunal; Bhaumik, Tanurima; Karmakar, Parimal; Saha, Amrita","Development of Rhodamine 6G-Based Fluorescent Chemosensors for Al3±Ion Detection: Effect of Ring Strain and Substituent in Enhancing Its Sensing Performance","ACS Omega","2019","","","","","10.1021/acsomega.9b02181","","","0.71073","MoKα","","0.097","0.0767","","","0.2212","0.244","","","","","","1.053","","","","has coordinates,has disorder","246265","2020-10-21","18:00:00",""
"4517278","9.56","0.0016","12.335","0.002","13.635","0.002","92.659","0.004","106.547","0.004","95.976","0.004","1528","0.4","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H30 Br2 N4 O3 -","- C33 H30 Br2 N4 O3 -","- C66 H60 Br4 N8 O6 -","2","1","","Mandal, Jayanta; Ghorai, Pravat; Pal, Kunal; Bhaumik, Tanurima; Karmakar, Parimal; Saha, Amrita","Development of Rhodamine 6G-Based Fluorescent Chemosensors for Al3±Ion Detection: Effect of Ring Strain and Substituent in Enhancing Its Sensing Performance","ACS Omega","2019","","","","","10.1021/acsomega.9b02181","","","0.71073","MoKα","","0.1127","0.0678","","","0.1662","0.1915","","","","","","1.04","","","","has coordinates,has disorder","246266","2020-10-21","18:00:00",""
"4517279","6.5821","0.0014","10.142","0.002","10.29","0.002","63.671","0.005","84.888","0.006","87.848","0.006","613.2","0.2","100","","100","","","","","","","","","3","P -1","-P 1","2","","","","- C16 H12 O4 -","- C16 H12 O4 -","- C32 H24 O8 -","2","1","","Chandra, Ajeet; Jana, Kanyashree; Moorthy, Jarugu Narasimha","One-Pot Synthesis of 4-Carboalkoxy-Substituted Benzo[h]coumarins from α- and β-Naphthols and Their Excited-State Properties","ACS Omega","2019","","","","","10.1021/acsomega.9b02489","","x-ray","0.71073","MoKα","","0.078","0.05","","","0.1214","0.137","","","","","","1.0734","","","","has coordinates","301843","2025-08-21","01:58:48",""
"4517280","21.3923","0.0015","7.6312","0.0006","18.8511","0.0014","90","","102.79","0.002","90","","3001.1","0.4","100","","100","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H14 O6 -","- C18 H14 O6 -","- C144 H112 O48 -","8","2","","Chandra, Ajeet; Jana, Kanyashree; Moorthy, Jarugu Narasimha","One-Pot Synthesis of 4-Carboalkoxy-Substituted Benzo[h]coumarins from α- and β-Naphthols and Their Excited-State Properties","ACS Omega","2019","","","","","10.1021/acsomega.9b02489","","x-ray","0.71073","MoKα","","0.0999","0.046","","","0.0934","0.1287","","","","","","1.104","","","","has coordinates","301843","2025-08-21","01:58:48",""
"4517281","7.8899","0.0005","8.5877","0.0005","9.7421","0.0006","99.496","0.002","105.841","0.002","90.879","0.002","625.05","0.07","100","","100","","","","","","","","","3","P -1","-P 1","2","","","","- C16 H12 O4 -","- C16 H12 O4 -","- C32 H24 O8 -","2","1","","Chandra, Ajeet; Jana, Kanyashree; Moorthy, Jarugu Narasimha","One-Pot Synthesis of 4-Carboalkoxy-Substituted Benzo[h]coumarins from α- and β-Naphthols and Their Excited-State Properties","ACS Omega","2019","","","","","10.1021/acsomega.9b02489","","x-ray","0.71073","MoKα","","0.0419","0.0361","","","0.0928","0.0986","","","","","","1.055","","","","has coordinates","301843","2025-08-21","01:58:48",""
"4517282","6.8145","0.0004","6.9404","0.0004","27.8047","0.0018","90.453","0.003","91.895","0.003","103.098","0.003","1279.96","0.13","200","2","200","2","","","","","","","","3","P -1","-P 1","2","","","","- C15 H10 N4 -","- C15 H10 N4 -","- C60 H40 N16 -","4","2","","Monika,; Verma, Abhineet; Tiwari, Manish Kumar; Show, Bibhutibhushan; Saha, Satyen","Modulation of Weak Interactions in Structural Isomers: Positional Isomeric Effects on Crystal Packing and Physical Properties and Solid-State Thin-Film Fabrication","ACS Omega","2019","","","","","10.1021/acsomega.9b02962","","","0.71073","MoKα","","0.1858","0.0987","","","0.2353","0.2861","","","","","","1.064","","","","has coordinates","301843","2025-08-21","01:58:48",""
"4517283","7.165","0.002","43.924","0.009","8.416","0.002","90","","106.87","0.03","90","","2534.7","1.1","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C15 H10 N4 -","- C15 H10 N4 -","- C120 H80 N32 -","8","2","","Monika,; Verma, Abhineet; Tiwari, Manish Kumar; Show, Bibhutibhushan; Saha, Satyen","Modulation of Weak Interactions in Structural Isomers: Positional Isomeric Effects on Crystal Packing and Physical Properties and Solid-State Thin-Film Fabrication","ACS Omega","2019","","","","","10.1021/acsomega.9b02962","","","0.71073","MoKα","","0.2067","0.1056","","","0.1409","0.1692","","","","","","1.116","","","","has coordinates","301843","2025-08-21","01:58:48",""
"4517288","9.8494","0.0009","10.0898","0.0009","17.7292","0.0017","86.873","0.003","75.394","0.003","70.241","0.002","1603.7","0.3","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C24 H32 Cu F6 N6 O9 P -","- C24 H32 Cu F6 N6 O9 P -","- C48 H64 Cu2 F12 N12 O18 P2 -","2","1","","Mandal, Tripti; Dey, Arka; Seth, Saikat Kumar; Ortega-Castro, Joaquín; Rheingold, Arnold L.; Ray, Partha Pratim; Frontera, Antonio; Mukhopadhyay, Subrata","Influence of 2-Amino-4-methylpyridine and 2-Aminopyrimidine Ligands on the Malonic Acid-Cu(II) System: Insights through Supramolecular Interactions and Photoresponse Properties","ACS Omega","2019","","","","","10.1021/acsomega.9b02971","","x-ray","0.71073","MoKα","K-L~3~","0.0774","0.0597","","","0.1503","0.1614","","","","","","1.048","","","","has coordinates","246328","2020-10-21","18:00:00",""
"4517289","9.7997","0.0009","10.2097","0.0011","17.6484","0.0015","92.439","0.003","98.427","0.002","108.372","0.003","1650.2","0.3","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C22 H28 Cu F12 N12 O8 P2 -","- C22 H28 Cu F12 N12 O8 P2 -","- C44 H56 Cu2 F24 N24 O16 P4 -","2","1","","Mandal, Tripti; Dey, Arka; Seth, Saikat Kumar; Ortega-Castro, Joaquín; Rheingold, Arnold L.; Ray, Partha Pratim; Frontera, Antonio; Mukhopadhyay, Subrata","Influence of 2-Amino-4-methylpyridine and 2-Aminopyrimidine Ligands on the Malonic Acid-Cu(II) System: Insights through Supramolecular Interactions and Photoresponse Properties","ACS Omega","2019","","","","","10.1021/acsomega.9b02971","","x-ray","0.71073","MoKα","K-L~3~","0.0459","0.0335","","","0.0786","0.0842","","","","","","1.035","","","","has coordinates","301843","2025-08-21","01:58:48",""
"4517297","16.66","0.001","15.5656","0.0008","28.2198","0.0016","90","","97.375","0.004","90","","7257.5","0.7","150","2","150","2","","","","","","","synthesized by the authors","5","P 1 n 1","P -2yac","7","","","","- C84 H54 Cl2 P2 Pd -","- C84 H54 Cl2 P2 Pd -","- C336 H216 Cl8 P8 Pd4 -","4","2","","Beránek, Tomáš; Žádný, Jaroslav; Strašák, Tomáš; Karban, Jindřich; Císařová, Ivana; Sýkora, Jan; Storch, Jan","Synthesis of a Helical Phosphine and a Catalytic Study of Its Palladium Complex.","ACS omega","2020","5","1","882","892","10.1021/acsomega.9b03830","","","1.54178","CuKα","","0.2117","0.1004","","","0.2611","0.3273","","","","","","0.97","","","","has coordinates","251896","2020-10-21","18:00:00",""
"4517306","23.6621","0.0003","23.6621","0.0003","7.5296","0.0002","90","","90","","120","","3650.98","0.12","99.9","0.5","99.9","0.5","","","","","","","","6","P 63/m","-P 6c","176","","","","- C22 H33 N3 O4 S Si -","- C22 H33 N3 O4 S Si -","- C132 H198 N18 O24 S6 Si6 -","6","0.5","","Prybil, Joshua W.; Wallace, Rodney; Warren, Alexandra; Klingman, Jordan; Vaillant, Romane; Hall, Michael B.; Yang, Xin; Brennessel, William W.; Chin, Robert M.","Silylation of Pyridine, Picolines, and Quinoline with a Zinc Catalyst","ACS Omega","2020","5","3","1528","1539","10.1021/acsomega.9b03317","","x-ray","1.54184","CuKα","","0.1383","0.1365","","","0.3691","0.3702","","","","","","1.184","","","","has coordinates,has disorder","257079","2020-10-21","18:00:00",""
"4517307","11.0617","0.0002","24.4886","0.0005","17.3459","0.0004","90","","122.08","0.002","90","","3981.29","0.17","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C41 H50 B2 N4 P2 Ti -","- C41 H50 B2 N4 P2 Ti -","- C164 H200 B8 N16 P8 Ti4 -","4","1","","Bhattacharjee, Jayeeta; Harinath, Adimulam; Bano, Kulsum; Panda, Tarun K.","Highly Chemoselective Hydroboration of Alkynes and Nitriles Catalyzed by Group 4 Metal Amidophosphine–Borane Complexes","ACS Omega","2020","5","3","1595","1606","10.1021/acsomega.9b03598","","","1.54184","CuKα","","0.0535","0.0482","","","0.1342","0.1401","","","","","","1.066","","","","has coordinates","301843","2025-08-21","01:58:48",""
"4517308","10.8835","0.001","13.0462","0.0014","26.353","0.002","95.711","0.008","101.515","0.007","101.049","0.008","3561.4","0.6","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C40 H40 B2 Cl0 N2 P2 Zr -","- C40 H40 B2 N2 P2 Zr -","- C160 H160 B8 N8 P8 Zr4 -","4","2","","Bhattacharjee, Jayeeta; Harinath, Adimulam; Bano, Kulsum; Panda, Tarun K.","Highly Chemoselective Hydroboration of Alkynes and Nitriles Catalyzed by Group 4 Metal Amidophosphine‒Borane Complexes","ACS Omega","2020","5","3","1595","1606","10.1021/acsomega.9b03598","","","1.54184","CuKα","","0.0399","0.0341","","","0.0849","0.089","","","","","","1.027","","","","has coordinates","257080","2020-10-21","18:00:00",""
"4517309","12.6729","0.0002","21.3485","0.0003","23.3993","0.0005","90","","96.078","0.002","90","","6295.03","0.19","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C60 H60 B4 N4 P4 Zr -","- C60 H60 B4 N4 P4 Zr -","- C240 H240 B16 N16 P16 Zr4 -","4","1","","Bhattacharjee, Jayeeta; Harinath, Adimulam; Bano, Kulsum; Panda, Tarun K.","Highly Chemoselective Hydroboration of Alkynes and Nitriles Catalyzed by Group 4 Metal Amidophosphine–Borane Complexes","ACS Omega","2020","5","3","1595","1606","10.1021/acsomega.9b03598","","","1.54184","CuKα","","0.1165","0.0924","","","0.2751","0.3015","","","","","","1.261","","","","has coordinates","301843","2025-08-21","01:58:48",""
"4517349","10.8307","0.0009","13.7904","0.0012","15.3733","0.0013","107.399","0.001","96.927","0.001","108.983","0.001","2010.6","0.3","90","2","90","2","","","","","","","","6","P -1","-P 1","2","","","","- C70 H106 F12 P2 Ru2 S12 -","- C70 H106 F12 P2 Ru2 S12 -","- C70 H106 F12 P2 Ru2 S12 -","1","0.5","","Fan, Rong; Sumitani, Ryo; Mochida, Tomoyuki","Synthesis and Reactivity of Cyclopentadienyl Ruthenium(II) Complexes with Tris(alkylthio)benzenes: Transformation between Dinuclear and Sandwich-Type Complexes","ACS Omega","2020","","","","","10.1021/acsomega.9b04272","","","0.71073","MoKα","","0.047","0.0421","","","0.1108","0.1168","","","","","","1.067","","","","has coordinates,has disorder","247216","2020-10-21","18:00:00",""
"4517350","8.0817","0.0012","9.6637","0.0014","23.803","0.003","90","","99.684","0.002","90","","1832.5","0.4","90","2","90","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H17 F6 P Ru S3 -","- C14 H17 F6 P Ru S3 -","- C56 H68 F24 P4 Ru4 S12 -","4","1","","Fan, Rong; Sumitani, Ryo; Mochida, Tomoyuki","Synthesis and Reactivity of Cyclopentadienyl Ruthenium(II) Complexes with Tris(alkylthio)benzenes: Transformation between Dinuclear and Sandwich-Type Complexes","ACS Omega","2020","","","","","10.1021/acsomega.9b04272","","","0.71073","MoKα","","0.0264","0.0257","","","0.0645","0.0649","","","","","","1.043","","","","has coordinates","247217","2020-10-21","18:00:00",""
"4517351","8.2478","0.0008","16.2374","0.0015","15.405","0.0015","90","","99.669","0.001","90","","2033.8","0.3","90","2","90","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","trismesk","","","- C32 H40 F12 N2 P2 Ru2 S6 -","- C32 H40 F12 N2 P2 Ru2 S6 -","- C64 H80 F24 N4 P4 Ru4 S12 -","2","0.5","","Fan, Rong; Sumitani, Ryo; Mochida, Tomoyuki","Synthesis and Reactivity of Cyclopentadienyl Ruthenium(II) Complexes with Tris(alkylthio)benzenes: Transformation between Dinuclear and Sandwich-Type Complexes","ACS Omega","2020","","","","","10.1021/acsomega.9b04272","","","0.71073","MoKα","","0.0251","0.0225","","","0.0583","0.06","","","","","","1.075","","","","has coordinates","247218","2020-10-21","18:00:00",""
"4517352","21.314","0.003","14.4802","0.0019","17.724","0.002","90","","91.531","0.002","90","","5468.2","1.2","90","2","90","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","RuSC3Vert","","","- C44 H64 F12 N2 P2 Ru2 S6 -","- C44 H64 F12 N2 P2 Ru2 S6 -","- C176 H256 F48 N8 P8 Ru8 S24 -","4","1","","Fan, Rong; Sumitani, Ryo; Mochida, Tomoyuki","Synthesis and Reactivity of Cyclopentadienyl Ruthenium(II) Complexes with Tris(alkylthio)benzenes: Transformation between Dinuclear and Sandwich-Type Complexes","ACS Omega","2020","","","","","10.1021/acsomega.9b04272","","","0.71073","MoKα","","0.0698","0.0509","","","0.1193","0.131","","","","","","1.032","","","","has coordinates,has disorder","247219","2020-10-21","18:00:00",""
"4517353","21.815","0.002","40.483","0.004","10.9637","0.0011","90","","90","","90","","9682.4","1.6","90","2","90","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C20 H29 F6 P Ru S3 -","- C20 H29 F6 P Ru S3 -","- C320 H464 F96 P16 Ru16 S48 -","16","4","","Fan, Rong; Sumitani, Ryo; Mochida, Tomoyuki","Synthesis and Reactivity of Cyclopentadienyl Ruthenium(II) Complexes with Tris(alkylthio)benzenes: Transformation between Dinuclear and Sandwich-Type Complexes","ACS Omega","2020","","","","","10.1021/acsomega.9b04272","","","0.71073","MoKα","","0.0227","0.0217","","","0.0543","0.0549","","","","","","1.037","","","","has coordinates","247220","2020-10-21","18:00:00",""
"4517354","5.4824","0.0002","9.0496","0.0003","21.3585","0.0008","90","","93.8688","0.0005","90","","1057.26","0.07","123","0.1","123","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H20 N2 Pb Se2 -","- C22 H20 N2 Pb Se2 -","- C44 H40 N4 Pb2 Se4 -","2","1","","Vartak, Prathamesh B.; Wang, Zhongyong; Groy, Thomas L.; Trovitch, Ryan J.; Wang, Robert Y.","Solution and Solid-State Characterization of PbSe Precursors","ACS Omega","2020","","","","","10.1021/acsomega.9b03715","","","0.71073","MoKα","","0.0257","0.0245","","","0.0585","0.0592","","","","","","1.032","","","","has coordinates,has disorder","301843","2025-08-21","01:59:36",""
"4517362","6.9049","0.0006","17.9673","0.0013","10.1305","0.0007","90","","106.637","0.009","90","","1204.2","0.17","100.01","0.1","100.01","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C27 H29 N3 O5 -","- C27 H29 N3 O5 -","- C54 H58 N6 O10 -","2","1","","Chowdhury, Srayoshi Roy; Nandi, Sujay Kumar; Podder, Debasish; Haldar, Debasish","Conformational Heterogeneity and Self-Assembly of α,β,γ-Hybrid Peptides Containing Fenamic Acid: Multistimuli-Responsive Phase-Selective Gelation","ACS Omega","2020","","","","","10.1021/acsomega.9b03532","","x-ray","0.71073","MoKα","","0.0455","0.0423","","","0.1229","0.1275","","","","","","0.971","","","","has coordinates","301843","2025-08-21","01:59:36",""
"4517363","13.2844","0.0009","9.4272","0.0006","36.075","0.002","90","","93.302","0.004","90","","4510.3","0.5","273","2","273.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H25 N3 O4 -","- C25 H25 N3 O4 -","- C200 H200 N24 O32 -","8","2","","Chowdhury, Srayoshi Roy; Nandi, Sujay Kumar; Podder, Debasish; Haldar, Debasish","Conformational Heterogeneity and Self-Assembly of α,β,γ-Hybrid Peptides Containing Fenamic Acid: Multistimuli-Responsive Phase-Selective Gelation","ACS Omega","2020","","","","","10.1021/acsomega.9b03532","","x-ray","1.54178","CuKα","","0.1735","0.1315","","","0.3302","0.3497","","","","","","1.1","","","","has coordinates","301843","2025-08-21","01:59:36",""
"4517364","6.9113","0.0003","18.1972","0.0008","10.137","0.0004","90","","105.648","0.005","90","","1227.64","0.09","298","4","298","4","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C27 H29 N3 O4 -","- C27 H29 N3 O4 -","- C54 H58 N6 O8 -","2","1","","Chowdhury, Srayoshi Roy; Nandi, Sujay Kumar; Podder, Debasish; Haldar, Debasish","Conformational Heterogeneity and Self-Assembly of α,β,γ-Hybrid Peptides Containing Fenamic Acid: Multistimuli-Responsive Phase-Selective Gelation","ACS Omega","2020","","","","","10.1021/acsomega.9b03532","","x-ray","0.71073","MoKα","","0.0534","0.047","","","0.1506","0.1574","","","","","","1.088","","","","has coordinates","301843","2025-08-21","01:59:36",""
"4517386","15.3961","0.0005","13.602","0.0004","16.0574","0.0004","90","","90","","90","","3362.7","0.17","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H18 N6 O3 S -","- C14 H18 N6 O3 S -","- C112 H144 N48 O24 S8 -","8","1","","Oliveira, Ana P. A.; Freitas, Jennifer T. J.; Diniz, Renata; Pessoa, Claudia; Maranhão, Sarah S; Ribeiro, Juliana M.; Souza-Fagundes, Elaine M; Beraldo, Heloisa","Triethylphosphinegold(I) Complexes with Secnidazole-Derived Thiosemicarbazones: Cytotoxic Activity against HCT-116 Colorectal Cancer Cells under Hypoxia Conditions.","ACS omega","2020","5","6","2939","2946","10.1021/acsomega.9b03778","","x-ray","0.71073","MoKα","","0.0678","0.0489","","","0.14","0.1538","","","","","","1.027","","","","has coordinates","301843","2025-08-21","01:59:37",""
"4517387","8.1536","0.0004","8.732","0.0006","9.8349","0.0005","89.139","0.005","81.378","0.004","68.29","0.006","642.57","0.07","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C9 H14 N6 O2 S -","- C9 H14 N6 O2 S -","- C18 H28 N12 O4 S2 -","2","1","","Oliveira, Ana P. A.; Freitas, Jennifer T. J.; Diniz, Renata; Pessoa, Claudia; Maranhão, Sarah S; Ribeiro, Juliana M.; Souza-Fagundes, Elaine M; Beraldo, Heloisa","Triethylphosphinegold(I) Complexes with Secnidazole-Derived Thiosemicarbazones: Cytotoxic Activity against HCT-116 Colorectal Cancer Cells under Hypoxia Conditions.","ACS omega","2020","5","6","2939","2946","10.1021/acsomega.9b03778","","x-ray","0.71073","MoKα","","0.086","0.0659","","","0.1718","0.196","","","","","","1.127","","","","has coordinates","301843","2025-08-21","01:59:37",""
"4517403","13.7293","0.0004","11.363","0.0004","12.5175","0.0004","90","","95.847","0.003","90","","1942.65","0.11","119.99","0.1","119.99","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C6 H6 Cl2 O7 U0.5 -","- C6 H6 Cl2 O7 U0.5 -","- C48 H48 Cl16 O56 U4 -","8","1","","Refn, Vanja E.; Kubus, Mariusz; Mossin, Susanne; Larsen, René Wugt; Pedersen, Kasper S.","A Redox-Innocent Uranium(IV)-Quinoid Metal-Organic Framework.","ACS omega","2020","5","7","3462","3466","10.1021/acsomega.9b03727","","x-ray","0.71073","MoKα","","0.0201","0.0183","","","0.0435","0.0442","","","","","","1.041","","","","has coordinates","248695","2020-10-21","18:00:00",""
"4517404","13.8598","0.0007","11.496","0.0006","12.61","0.0006","90","","96.415","0.005","90","","1996.6","0.17","285","13","285","13","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H12 Cl4 O14 U -","- C12 H12 Cl4 O14 U -","- C48 H48 Cl16 O56 U4 -","4","0.5","","Refn, Vanja E.; Kubus, Mariusz; Mossin, Susanne; Larsen, René Wugt; Pedersen, Kasper S.","A Redox-Innocent Uranium(IV)-Quinoid Metal-Organic Framework.","ACS omega","2020","5","7","3462","3466","10.1021/acsomega.9b03727","","x-ray","0.71073","MoKα","","0.0221","0.02","","","0.0434","0.0445","","","","","","1.056","","","","has coordinates","248695","2020-10-21","18:00:00",""
"4517405","9.529","0.002","10.567","0.003","20.407","0.005","87.353","0.007","86.97","0.007","63.261","0.005","1832","0.8","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H17 N O2 -","- C25 H17 N O2 -","- C100 H68 N4 O8 -","4","2","","Panday, Anoop Kumar; Ali, Danish; Choudhury, Lokman H.","Cs<sub>2</sub>CO<sub>3</sub>-Mediated Rapid Room-Temperature Synthesis of 3-Amino-2-aroyl Benzofurans and Their Copper-Catalyzed <i>N</i>-Arylation Reactions.","ACS omega","2020","5","7","3646","3660","10.1021/acsomega.9b04169","","","0.71073","MoKα","","0.126","0.092","","","0.2239","0.2417","","","","","","1.111","","","","has coordinates","301843","2025-08-21","01:59:37",""
"4517407","7.9413","0.0013","7.9555","0.0013","8.0755","0.0013","81.685","0.006","63.54","0.005","72.764","0.005","436.18","0.12","150","2","150","2","","","","","","","","5","P 1","P 1","1","","","","- C17 H23 N3 O3 S -","- C17 H23 N3 O3 S -","- C17 H23 N3 O3 S -","1","1","","Chiou, Wen-Hua; Hsu, Kuo-Hsun; Huang, Wen-Wei","Rh-Catalyzed Hydroformylation-Initiated Bicyclization: Construction of Azabicyclic Systems.","ACS omega","2020","5","7","3717","3724","10.1021/acsomega.9b04400","","x-ray","0.71073","MoKα","","0.074","0.056","","","0.117","0.1313","","","","","","0.946","","","","has coordinates","301843","2025-08-21","01:59:37",""
"4517414","7.8574","0.0004","19.2849","0.0009","9.9755","0.0005","90","","102.355","0.001","90","","1476.57","0.13","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H28 N6 O14 Zn -","- C26 H28 N6 O14 Zn -","- C52 H56 N12 O28 Zn2 -","2","0.5","","Brahma, Rinki; Baruah, Jubaraj B.","Self-Assemblies of Zinc Complexes for Aggregation-Induced Emission Luminogen Precursors.","ACS omega","2020","5","7","3774","3785","10.1021/acsomega.0c00136","","","0.71073","MoKα","","0.0311","0.0256","","","0.0503","0.0528","","","","","","1.025","","","","has coordinates","301843","2025-08-21","01:59:37",""
"4517415","5.9866","0.0007","8.7293","0.001","22.354","0.003","96.624","0.003","90.797","0.004","90.264","0.003","1160.3","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H20 N4 O12 Zn -","- C20 H20 N4 O12 Zn -","- C40 H40 N8 O24 Zn2 -","2","1","","Brahma, Rinki; Baruah, Jubaraj B.","Self-Assemblies of Zinc Complexes for Aggregation-Induced Emission Luminogen Precursors.","ACS omega","2020","5","7","3774","3785","10.1021/acsomega.0c00136","","","0.71073","MoKα","","0.0623","0.0544","","","0.1793","0.1902","","","","","","1.012","","","","has coordinates","301843","2025-08-21","01:59:37",""
"4517416","20.1428","0.0011","6.2816","0.0003","25.1031","0.0013","90","","104.399","0.005","90","","3076.5","0.3","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H28 N6 O12 Zn -","- C28 H28 N6 O12 Zn -","- C112 H112 N24 O48 Zn4 -","4","0.5","","Brahma, Rinki; Baruah, Jubaraj B.","Self-Assemblies of Zinc Complexes for Aggregation-Induced Emission Luminogen Precursors.","ACS omega","2020","5","7","3774","3785","10.1021/acsomega.0c00136","","","0.71073","MoKα","","0.0552","0.0406","","","0.0788","0.0861","","","","","","1.038","","","","has coordinates","301843","2025-08-21","01:59:37",""
"4517417","22.0343","0.0008","13.6328","0.0005","15.1548","0.0006","90","","100.715","0.001","90","","4473","0.3","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C42 H36 N8 O20 Zn2 -","- C42 H36 N8 O20 Zn2 -","- C168 H144 N32 O80 Zn8 -","4","0.5","","Brahma, Rinki; Baruah, Jubaraj B.","Self-Assemblies of Zinc Complexes for Aggregation-Induced Emission Luminogen Precursors.","ACS omega","2020","5","7","3774","3785","10.1021/acsomega.0c00136","","","0.71073","MoKα","","0.0469","0.0318","","","0.0877","0.0979","","","","","","1.04","","","","has coordinates","301843","2025-08-21","01:59:37",""
"4517418","8.0671","0.0006","12.718","0.002","14.3069","0.0018","81.172","0.013","76.06","0.009","74.624","0.012","1367.3","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H22 N6 O11 Zn -","- C26 H22 N6 O11 Zn -","- C52 H44 N12 O22 Zn2 -","2","1","","Brahma, Rinki; Baruah, Jubaraj B.","Self-Assemblies of Zinc Complexes for Aggregation-Induced Emission Luminogen Precursors.","ACS omega","2020","5","7","3774","3785","10.1021/acsomega.0c00136","","","0.71073","MoKα","","0.0755","0.0523","","","0.0992","0.1178","","","","","","1.007","","","","has coordinates","301843","2025-08-21","01:59:37",""
"4517430","9.6783","0.0009","23.209","0.002","14.9411","0.0014","90","","95.11","0.003","90","","3342.8","0.5","297","","297.04","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C49 H30 N2 O -","- C49 H30 N2 O -","- C196 H120 N8 O4 -","4","1","","Wang, Sha-Sha; Rong, Rong; Liu, Yi-Ran; Hu, Xiao; Zhang, He; Yu, Yang; Wei, Ying; Xie, Ling-Hai; Huang, Wei","The Dimensionality Transition between Three-Dimensional and Two-Dimensional Organic Microcrystals: Specific Symmetry and Selective Adhesion.","ACS omega","2020","5","7","3749","3754","10.1021/acsomega.9b03962","","x-ray","0.71073","MoKα","","0.1708","0.0622","","","0.1135","0.1471","","","","","","0.983","","","","has coordinates","301843","2025-08-21","01:59:37",""
"4517432","13.7445","0.0011","17.581","0.0012","7.2542","0.0006","90","","101.283","0.008","90","","1719","0.2","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H14 F4 O4 -","- C18 H14 F4 O4 -","- C72 H56 F16 O16 -","4","1","","Liu, Guangyuan; Zhang, Xingxing; Kuang, Guanghua; Lu, Naihao; Fu, Yang; Peng, Yiyuan; Xiao, Qiang; Zhou, Yirong","Phosphine-Free Ru-Catalyzed Regio- and Stereoselective Addition of Benzoic Acids to Trifluoromethylated Alkynes toward Facile Access to Trifluoromethyl Group-Substituted (E)-Enol Esters","ACS Omega","2020","5","8","4158","4166","10.1021/acsomega.9b03936","","x-ray","0.71073","MoKα","","0.0951","0.0571","","","0.1151","0.1334","","","","","","1.032","","","","has coordinates","301843","2025-08-21","01:59:37",""
"4517451","7.555","0.009","7.727","0.009","8.337","0.009","105.747","0.018","96.866","0.019","115.116","0.017","408.5","0.8","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C4 H5 Mo O8 -","- C4 H5 Mo O8 -","- C8 H10 Mo2 O16 -","2","1","","Barber, Greg D.; George, Christy; Hogg, Kathryn; Johnstone, Shae T.; Pacheco, Carlos N.; Yennawar, Hemant P.; Van Der Sluys, William G.","Hydrothermal Synthesis and Structure of a Dinuclear Molybdenum(III) Hydroxy Squarate with a Mo‒Mo Bond","ACS Omega","2020","","","","","10.1021/acsomega.0c00083","","","0.71073","MoKα","","0.0398","0.0374","","","0.0987","0.1005","","","","","","1.121","","","","has coordinates","248528","2020-10-21","18:00:00",""
"4517452","7.489","0.004","7.545","0.004","8.142","0.004","106.303","0.009","95.252","0.01","113.775","0.01","393","0.4","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C4 H5 Cr O8 -","- C4 H5 Cr O8 -","- C8 H10 Cr2 O16 -","2","1","","Barber, Greg D.; George, Christy; Hogg, Kathryn; Johnstone, Shae T.; Pacheco, Carlos N.; Yennawar, Hemant P.; Van Der Sluys, William G.","Hydrothermal Synthesis and Structure of a Dinuclear Molybdenum(III) Hydroxy Squarate with a Mo‒Mo Bond","ACS Omega","2020","","","","","10.1021/acsomega.0c00083","","","0.71073","MoKα","","0.0489","0.0463","","","0.1281","0.1316","","","","","","1.087","","","","has coordinates","248528","2020-10-21","18:00:00",""
"4517453","23.9369","0.0006","9.0172","0.0002","33.4311","0.0008","90","","90","","90","","7215.9","0.3","173","2","173","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C38 H31 F6 Ir N4 O P -","- C38 H31 F6 Ir N4 O P -","- C304 H248 F48 Ir8 N32 O8 P8 -","8","2","","Lin, Nan; Ou, Hui-Dan; Xu, Qiyan; Jin, Yan; Deng, Wei; Yao, Zi-Jian","An Efficient Probe of Cyclometallated Phosphorescent Iridium Complex for Selective Detection of Cyanide","ACS Omega","2020","","","","","10.1021/acsomega.9b04364","","","1.34138","GaKα","","0.0512","0.0393","","","0.0882","0.0933","","","","","","1.014","","","","has coordinates","248529","2020-10-21","18:00:00",""
"4517503","7.2868","0.0006","14.4003","0.0012","16.4259","0.0013","90","","90","","90","","1723.6","0.2","298","2","295.5","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C5 H3 Au Cl2 N2 O2 -","- C5 H3 Au Cl2 N2 O2 -","- C40 H24 Au8 Cl16 N16 O16 -","8","1","","Stenger-Smith, Jenny; Kamariza, Mireille; Chakraborty, Indranil; Ouattara, Ramatoulaye; Bertozzi, Carolyn R.; Mascharak, Pradip K.","Enhanced Bactericidal Effects of Pyrazinamide Toward Mycobacterium smegmatis and Mycobacterium tuberculosis upon Conjugation to a {Au(I)-triphenylphosphine}+ Moiety","ACS Omega","2020","5","12","6826","6833","10.1021/acsomega.0c00071","","","0.71076","MoKα","","0.0286","0.0243","","","0.0627","0.0667","","","","","","1.084","","","","has coordinates","257078","2020-10-21","18:00:00",""
"4517504","7.0334","0.001","12.6524","0.0016","15.688","0.002","79.435","0.004","81.214","0.005","89.464","0.004","1356","0.3","298","2","298","2","","","","","","","","8","P -1","-P 1","2","","","","- C24 H22 Au F3 N3 O5 P S -","- C24 H22 Au F3 N3 O5 P S -","- C48 H44 Au2 F6 N6 O10 P2 S2 -","2","1","","Stenger-Smith, Jenny; Kamariza, Mireille; Chakraborty, Indranil; Ouattara, Ramatoulaye; Bertozzi, Carolyn R.; Mascharak, Pradip K.","Enhanced Bactericidal Effects of Pyrazinamide Toward Mycobacterium smegmatis and Mycobacterium tuberculosis upon Conjugation to a {Au(I)-triphenylphosphine}+ Moiety","ACS Omega","2020","5","12","6826","6833","10.1021/acsomega.0c00071","","","0.71073","MoKα","","0.0474","0.0435","","","0.1197","0.1217","","","","","","1.136","","","","has coordinates","301843","2025-08-21","01:59:37",""
"4517505","6.6857","0.001","7.2848","0.0011","8.9057","0.0013","94.664","0.002","106.878","0.002","91.649","0.002","413.06","0.11","298","2","295.5","","","","","","","","","6","P -1","-P 1","2","","","","- C5 H4 Au Cl2 N3 O -","- C5 H4 Au Cl2 N3 O -","- C10 H8 Au2 Cl4 N6 O2 -","2","1","","Stenger-Smith, Jenny; Kamariza, Mireille; Chakraborty, Indranil; Ouattara, Ramatoulaye; Bertozzi, Carolyn R.; Mascharak, Pradip K.","Enhanced Bactericidal Effects of Pyrazinamide Toward Mycobacterium smegmatis and Mycobacterium tuberculosis upon Conjugation to a {Au(I)-triphenylphosphine}+ Moiety","ACS Omega","2020","5","12","6826","6833","10.1021/acsomega.0c00071","","","0.71076","MoKα","","0.0175","0.0174","","","0.0425","0.0426","","","","","","1.198","","","","has coordinates","257078","2020-10-21","18:00:00",""
"4517506","12.627","0.004","16.99","0.005","4.5162","0.0013","90","","90","","90","","968.9","0.5","273","2","273.15","","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C15 H8 Cl4 F6 N4 O -","- C15 H8 Cl4 F6 N4 O -","- C30 H16 Cl8 F12 N8 O2 -","2","0.5","","Mondal, Amita; Hazra, Abhijit; Chakrabarty, Jitamanyu; Bose K, Jagadeesh C.; Banerjee, Priyabrata","Tandem Detection of Sub-Nano Molar Level CN– and Hg2+ in Aqueous Medium by a Suitable Molecular Sensor: A Viable Solution for Detection of CN– and Development of the RGB-Based Sensory Device","ACS Omega","2020","5","12","6576","6587","10.1021/acsomega.9b04311","","","0.71073","MoKα","","0.0448","0.037","","","0.085","0.0903","","","","","","1.028","","","","has coordinates,has disorder","301843","2025-08-21","01:59:37",""
"4517507","25.831","0.006","7.3258","0.0017","7.3487","0.0018","90","","90","","90","","1390.6","0.6","293","","293","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C4 H10 Cd Cl4 F6 N2 -","- C4 H10 Cd Cl4 F6 N2 -","- C16 H40 Cd4 Cl16 F24 N8 -","4","0.5","","Song, Ning; Chen, Shao-Peng; Fan, Xiao-Wei; Tan, Yu-Hui; Wei, Wen-Juan; Tang, Yun-Zhi","Regulating Reversible Phase Transition Behaviors by Poly-H/F Substitution in Hybrid Perovskite-Like 2[CH2FCH2NH3]·[CdCl4]","ACS Omega","2020","5","12","6773","6780","10.1021/acsomega.0c00113","","","0.71076","MoKα","","0.0538","0.0451","","","0.1082","0.1192","","","","","","1.149","","","","has coordinates","257077","2020-10-21","18:00:00",""
"4517508","7.5273","0.0009","7.4027","0.0009","23.054","0.003","90","","90","","90","","1284.6","0.3","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","csp-2fc-cd","","- C4 H12 Cd Cl4 F4 N2 -","- C4 H12 Cd Cl4 F4 N2 -","- C16 H48 Cd4 Cl16 F16 N8 -","4","0.5","","Song, Ning; Chen, Shao-Peng; Fan, Xiao-Wei; Tan, Yu-Hui; Wei, Wen-Juan; Tang, Yun-Zhi","Regulating Reversible Phase Transition Behaviors by Poly-H/F Substitution in Hybrid Perovskite-Like 2[CH2FCH2NH3]·[CdCl4]","ACS Omega","2020","5","12","6773","6780","10.1021/acsomega.0c00113","","","0.71076","MoKα","","0.0539","0.0512","","","0.1184","0.1196","","","","","","1.396","","","","has coordinates","257077","2020-10-21","18:00:00",""
"4517509","11.2047","0.0008","7.6515","0.0005","7.305","0.0005","90","","104.162","0.007","90","","607.24","0.07","269.98","0.1","270","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C4 H14 Cd Cl4 F2 N2 -","- C4 H14 Cd Cl4 F2 N2 -","- C8 H28 Cd2 Cl8 F4 N4 -","2","0.5","","Song, Ning; Chen, Shao-Peng; Fan, Xiao-Wei; Tan, Yu-Hui; Wei, Wen-Juan; Tang, Yun-Zhi","Regulating Reversible Phase Transition Behaviors by Poly-H/F Substitution in Hybrid Perovskite-Like 2[CH2FCH2NH3]·[CdCl4]","ACS Omega","2020","5","12","6773","6780","10.1021/acsomega.0c00113","","","0.71073","MoKα","","0.0683","0.0656","","","0.1833","0.1861","","","","","","1.142","","","","has coordinates","257077","2020-10-21","18:00:00",""
"4517510","7.461","0.0007","23.412","0.002","7.5566","0.0007","90","","90","","90","","1320","0.2","340","2","340.01","","","","","","","","","6","C m c e","-C 2ac 2","64","","","","- C4 H12 Cd Cl4 F4 N2 -","- C4 H12 Cd Cl4 F4 N2 -","- C16 H48 Cd4 Cl16 F16 N8 -","4","0.25","","Song, Ning; Chen, Shao-Peng; Fan, Xiao-Wei; Tan, Yu-Hui; Wei, Wen-Juan; Tang, Yun-Zhi","Regulating Reversible Phase Transition Behaviors by Poly-H/F Substitution in Hybrid Perovskite-Like 2[CH2FCH2NH3]·[CdCl4]","ACS Omega","2020","5","12","6773","6780","10.1021/acsomega.0c00113","","","0.71073","MoKα","","0.0606","0.053","","","0.1347","0.1423","","","","","","1.207","","","","has coordinates","257077","2020-10-21","18:00:00",""
"4517511","7.4525","0.0007","21.842","0.002","7.5766","0.0006","90","","90","","90","","1233.3","0.19","300","","300","","","","","","","","","6","C m c e","-C 2ac 2","64","","","","- C H1.5 Cd0.25 Cl F0.5 N0.5 -","- C H1.5 Cd0.25 Cl F0.5 N0.5 -","- C16 H24 Cd4 Cl16 F8 N8 -","16","1","","Song, Ning; Chen, Shao-Peng; Fan, Xiao-Wei; Tan, Yu-Hui; Wei, Wen-Juan; Tang, Yun-Zhi","Regulating Reversible Phase Transition Behaviors by Poly-H/F Substitution in Hybrid Perovskite-Like 2[CH2FCH2NH3]·[CdCl4]","ACS Omega","2020","5","12","6773","6780","10.1021/acsomega.0c00113","","","0.71073","MoKα","","0.0328","0.0314","","","0.0859","0.0872","","","","","","1.082","","","","has coordinates","257077","2020-10-21","18:00:00",""
"4517515","8.7317","0.0006","6.1983","0.0004","11.9174","0.0007","90","","110.056","0.002","90","","605.88","0.07","273","2","273","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H13 N S -","- C15 H13 N S -","- C30 H26 N2 S2 -","2","1","","Pandey, Anand Kumar; Chand, Shiv; Singh, Rahul; Kumar, Saurabh; Singh, Krishna Nand","Iodine-Catalyzed Synthesis of 3-Arylthioindoles Employing a 1-Aryltriazene/CS2 Combination as a New Sulfenylation Source","ACS Omega","2020","","","","","10.1021/acsomega.0c00472","","x-ray","0.71073","MoKα","","0.0592","0.0491","","","0.1131","0.1217","","","","","","1.06","","","","has coordinates","301843","2025-08-21","01:59:37",""
"4517535","4.495","0.0006","13.8963","0.0016","19.758","0.003","90","","90","","90","","1234.2","0.3","295","2","295","2","","","","","","","","5","P c 21 n","P -2n -2ac","33","","","","- C16 H6 F2 N4 O -","- C16 H6 F2 N4 O -","- C64 H24 F8 N16 O4 -","4","1","","Kvashnin, Yuriy A.; Verbitskiy, Egor V.; Eltsov, Oleg S.; Slepukhin, Pavel A.; Tameev, Alexey R.; Nekrasova, Natalia V.; Rusinov, Gennady L.; Nunzi, Jean-Michel; Chupakhin, Oleg N.; Charushin, Valery N.","Dibenzo[f,h]furazano[3,4-b]quinoxalines: Synthesis by Intramolecular Cyclization through Direct Transition Metal-Free C‒H Functionalization and Electrochemical, Photophysical, and Charge Mobility Characterization","ACS Omega","2020","","","","","10.1021/acsomega.0c00479","","x-ray","0.71073","MoKα","","0.1239","0.0801","","","0.1945","0.2399","","","","","","1.02","","","","has coordinates,has disorder","249870","2020-10-21","18:00:00",""
"4517538","28.201","0.009","14.449","0.004","20.928","0.008","90","","91.058","0.016","90","","8526","5","210","2","210","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C44 H42 Co2 F6 N2 O9 -","- C44 H42 Co2 F6 N2 O9 -","- C352 H336 Co16 F48 N16 O72 -","8","1","","Song, Xiao-Jiao; Xue, Xiao-Ming","Study on the Magneto-Structural Correlation of a New Dinuclear Cobalt(II) Complex with Double μ-Phenoxo Bridges.","ACS omega","2020","5","14","8347","8354","10.1021/acsomega.0c00853","","","1.34139","GaKα","","0.0836","0.0524","","","0.133","0.1458","","","","","","1.06","","","","has coordinates","301843","2025-08-21","01:59:37",""
"4517539","4.42","0.002","43.948","0.009","7.635","0.002","90","","97.64","0.03","90","","1469.9","0.8","296","2","296","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C17 H14 F3 N O2 -","- C17 H14 F3 N O2 -","- C68 H56 F12 N4 O8 -","4","1","","Song, Xiao-Jiao; Xue, Xiao-Ming","Study on the Magneto-Structural Correlation of a New Dinuclear Cobalt(II) Complex with Double μ-Phenoxo Bridges.","ACS omega","2020","5","14","8347","8354","10.1021/acsomega.0c00853","","","0.71073","MoKα","","0.0368","0.0337","","","0.0843","0.0871","","","","","","1.028","","","","has coordinates","301843","2025-08-21","01:59:38",""
"4517540","20.8825","0.0005","20.8825","0.0005","10.11","0.0003","90","","90","","90","","4408.8","0.2","100","0.1","100","0.1","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C46 H26 Br8 F4 N4 O2 -","- C46 H26 Br8 F4 N4 O2 -","- C184 H104 Br32 F16 N16 O8 -","4","0.25","","Thomas, Kolle E.; Slebodnick, Carla; Ghosh, Abhik","Facile Supramolecular Engineering of Porphyrin cis Tautomers: The Case of β-Octabromo-<i>meso</i>-tetraarylporphyrins.","ACS omega","2020","5","15","8893","8901","10.1021/acsomega.0c00517","","x-ray","0.71073","MoKα","","0.099","0.0703","","","0.1878","0.2051","","","","","","1.071","","","","has coordinates,has disorder","251428","2020-10-21","18:00:00",""
"4517541","36.7959","0.0004","10.19901","0.00008","30.7172","0.0003","90","","112.85","0.0011","90","","10623","0.2","99.99","0.11","99.99","0.11","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C50 H26 Br8 F12 N4 O2 -","- C50 H26 Br8 F12 N4 O2 -","- C400 H208 Br64 F96 N32 O16 -","8","2","","Thomas, Kolle E.; Slebodnick, Carla; Ghosh, Abhik","Facile Supramolecular Engineering of Porphyrin cis Tautomers: The Case of β-Octabromo-<i>meso</i>-tetraarylporphyrins.","ACS omega","2020","5","15","8893","8901","10.1021/acsomega.0c00517","","x-ray","1.54184","CuKα","","0.0528","0.0476","","","0.1209","0.1241","","","","","","1.127","","","","has coordinates,has disorder","251428","2020-10-21","18:00:00",""
"4517542","11.4317","0.0015","12.324","0.002","15.915","0.002","85.293","0.003","74.338","0.003","84.999","0.003","2146.7","0.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C50 H51 Cl O P2 Pd -","- C50 H51 Cl O P2 Pd -","- C100 H102 Cl2 O2 P4 Pd2 -","2","1","","Erken, Christina; Hindemith, Carsten; Weyhermüller, Thomas; Hölscher, Markus; Werlé, Christophe; Leitner, Walter","Hydroamination of Aromatic Alkynes to Imines Catalyzed by Pd(II)-Anthraphos Complexes.","ACS omega","2020","5","15","8912","8918","10.1021/acsomega.0c00562","","","0.71073","MoKα","","0.0745","0.0464","","","0.1023","0.1148","","","","","","1.025","","","","has coordinates,has disorder","251431","2020-10-21","18:00:00",""
"4517543","12.1515","0.0006","12.242","0.0007","16.8588","0.0005","86.933","0.004","70.832","0.004","68.328","0.004","2194.8","0.2","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C48 H46 F6 N O2 P2 Pd Sb -","- C48 H46 F6 N O2 P2 Pd Sb -","- C96 H92 F12 N2 O4 P4 Pd2 Sb2 -","2","1","","Erken, Christina; Hindemith, Carsten; Weyhermüller, Thomas; Hölscher, Markus; Werlé, Christophe; Leitner, Walter","Hydroamination of Aromatic Alkynes to Imines Catalyzed by Pd(II)-Anthraphos Complexes.","ACS omega","2020","5","15","8912","8918","10.1021/acsomega.0c00562","","","0.71073","MoKα","","0.04","0.0271","","","0.0652","0.0686","","","","","","1.02","","","","has coordinates,has disorder","251431","2020-10-21","18:00:00",""
"4517544","15.6405","0.0014","3.9355","0.0004","18.191","0.002","90","","90","","90","","1119.7","0.2","100","2","100","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C14 H8 Br2 -","- C14 H8 Br2 -","- C56 H32 Br8 -","4","1","","Erken, Christina; Hindemith, Carsten; Weyhermüller, Thomas; Hölscher, Markus; Werlé, Christophe; Leitner, Walter","Hydroamination of Aromatic Alkynes to Imines Catalyzed by Pd(II)-Anthraphos Complexes.","ACS omega","2020","5","15","8912","8918","10.1021/acsomega.0c00562","","","0.71073","MoKα","","0.0314","0.0274","","","0.0618","0.0632","","","","","","1.043","","","","has coordinates","301843","2025-08-21","01:59:38",""
"4517548","7.589","0.003","14.368","0.004","18.561","0.005","72.261","0.01","85.4","0.03","88.99","0.03","1921.4","1.1","293","","293","","","","","","","","","5","P -1","-P 1","2","","","","- C44 H40 Cl2 N2 O12 -","- C44 H40 Cl2 N2 O12 -","- C88 H80 Cl4 N4 O24 -","2","1","","Yang, Dezhi; Cao, Junzi; Jiao, Lingtai; Yang, Shiying; Zhang, Li; Lu, Yang; Du, Guanhua","Solubility and Stability Advantages of a New Cocrystal of Berberine Chloride with Fumaric Acid.","ACS omega","2020","5","14","8283","8292","10.1021/acsomega.0c00692","","","1.54178","CuKα","","0.088","0.0714","","","0.2136","0.2483","","","","","","1.044","","","","has coordinates","301843","2025-08-21","01:59:38",""
"4517549","5.0909","0.0007","18.372","0.003","11.6238","0.0014","90","","98.735","0.004","90","","1074.6","0.3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H14 N2 O -","- C12 H14 N2 O -","- C48 H56 N8 O4 -","4","1","","Novanna, Motakatla; Kannadasan, Sathananthan; Shanmugam, Ponnusamy","Microwave-Assisted <i>N</i>-Allylation/Homoallylation-RCM Approach: Access to Pyrrole-, Pyridine-, or Azepine-Appended (Het)aryl Aminoamides.","ACS omega","2020","5","15","8515","8522","10.1021/acsomega.9b04038","","","0.71073","MoKα","","0.1299","0.0643","","","0.1632","0.2137","","","","","","1.028","","","","has coordinates","301843","2025-08-21","01:59:38",""
"4517550","14.8009","0.0003","11.9949","0.0003","15.0518","0.0005","90","","114.048","0.002","90","","2440.29","0.12","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C11 H14 N2 O S -","- C11 H14 N2 O S -","- C88 H112 N16 O8 S8 -","8","2","","Novanna, Motakatla; Kannadasan, Sathananthan; Shanmugam, Ponnusamy","Microwave-Assisted <i>N</i>-Allylation/Homoallylation-RCM Approach: Access to Pyrrole-, Pyridine-, or Azepine-Appended (Het)aryl Aminoamides.","ACS omega","2020","5","15","8515","8522","10.1021/acsomega.9b04038","","","0.71073","MoKα","","0.1169","0.0578","","","0.1415","0.1778","","","","","","1.054","","","","has coordinates,has disorder","251430","2020-10-21","18:00:00",""
"4517557","10.4131","0.0009","7.3711","0.0006","5.4291","0.0005","90","","90","","90","","416.72","0.06","293","","293","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- H5 Na3 Ni -","- H5 Na3 Ni -","- H20 Na12 Ni4 -","4","0.5","","Spektor, Kristina; Crichton, Wilson A.; Filippov, Stanislav; Klarbring, Johan; Simak, Sergei I.; Fischer, Andreas; Häussermann, Ulrich","Na-Ni-H Phase Formation at High Pressures and High Temperatures: Hydrido Complexes [NiH<sub>5</sub>]<sup>3-</sup><i>Versus</i> the Perovskite NaNiH<sub>3</sub>.","ACS omega","2020","5","15","8730","8743","10.1021/acsomega.0c00239","powder diffraction","x-ray","0.41127","synchrotron","","0.0594","0.0594","","0.0668","0.0667","","","","4.9","","","","","","","has coordinates","251429","2020-10-21","18:00:00",""
"4517558","7.3444","0.0009","6.8828","0.0009","7.2247","0.0008","90","","90","","90","","365.21","0.08","593","","593","","","","","","","","","3","C m c m","-C 2c 2","63","","","","- H5 Na3 Ni -","- H5 Na3 Ni -","- H20 Na12 Ni4 -","4","0.25","","Spektor, Kristina; Crichton, Wilson A.; Filippov, Stanislav; Klarbring, Johan; Simak, Sergei I.; Fischer, Andreas; Häussermann, Ulrich","Na-Ni-H Phase Formation at High Pressures and High Temperatures: Hydrido Complexes [NiH<sub>5</sub>]<sup>3-</sup><i>Versus</i> the Perovskite NaNiH<sub>3</sub>.","ACS omega","2020","5","15","8730","8743","10.1021/acsomega.0c00239","powder diffraction","x-ray","0.22542","synchrotron","","0.0871","0.0835","","0.0879","0.0878","","","","4.49","","","","","","","has coordinates","251429","2020-10-21","18:00:00",""
"4517559","7.3575","0.0013","6.7932","0.0015","7.2231","0.0012","90","","90","","90","","361.02","0.12","300","","300","","","","","","","","","3","C m c m","-C 2c 2","63","","","","- H5 Na3 Ni -","- H5 Na3 Ni -","- H20 Na12 Ni4 -","4","0.25","","Spektor, Kristina; Crichton, Wilson A.; Filippov, Stanislav; Klarbring, Johan; Simak, Sergei I.; Fischer, Andreas; Häussermann, Ulrich","Na-Ni-H Phase Formation at High Pressures and High Temperatures: Hydrido Complexes [NiH<sub>5</sub>]<sup>3-</sup><i>Versus</i> the Perovskite NaNiH<sub>3</sub>.","ACS omega","2020","5","15","8730","8743","10.1021/acsomega.0c00239","powder diffraction","x-ray","0.22542","synchrotron","","0.111","0.1094","","0.1015","0.1013","","","","4.7","","","","","","","has coordinates","251429","2020-10-21","18:00:00",""
"4517560","7.16905","0.00016","7.16905","0.00016","7.16905","0.00016","90","","90","","90","","368.455","0.014","638","","638","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","","","- H5 Na3 Ni -","- H5.0004 Na3 Ni -","- H20.0016 Na12 Ni4 -","4","0.0208333","","Spektor, Kristina; Crichton, Wilson A.; Filippov, Stanislav; Klarbring, Johan; Simak, Sergei I.; Fischer, Andreas; Häussermann, Ulrich","Na-Ni-H Phase Formation at High Pressures and High Temperatures: Hydrido Complexes [NiH<sub>5</sub>]<sup>3-</sup><i>Versus</i> the Perovskite NaNiH<sub>3</sub>.","ACS omega","2020","5","15","8730","8743","10.1021/acsomega.0c00239","powder diffraction","x-ray","0.22542","synchrotron","","0.0641","0.0641","","0.0836","0.0836","","","","4.26","","","","","","","has coordinates","251429","2020-10-21","18:00:00",""
"4517561","3.43235","0.00003","3.43235","0.00003","3.43235","0.00003","90","","90","","90","","40.4366","0.0006","293","","293","","","","","","","","","3","P m -3 m","-P 4 2 3","221","","","","- H3 Na Ni -","- H3 Na Ni -","- H3 Na Ni -","1","0.0208333","","Spektor, Kristina; Crichton, Wilson A.; Filippov, Stanislav; Klarbring, Johan; Simak, Sergei I.; Fischer, Andreas; Häussermann, Ulrich","Na-Ni-H Phase Formation at High Pressures and High Temperatures: Hydrido Complexes [NiH<sub>5</sub>]<sup>3-</sup><i>Versus</i> the Perovskite NaNiH<sub>3</sub>.","ACS omega","2020","5","15","8730","8743","10.1021/acsomega.0c00239","powder diffraction","x-ray","0.3544","synchrotron","","0.0239","0.0239","","0.0351","0.0351","","","","1.28","","","","","","","has coordinates","251429","2020-10-21","18:00:00",""
"4517586","11.564","0.005","11.051","0.005","18.1","0.007","90","","107.954","0.014","90","","2200.4","1.6","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H25 Co N7 O13 -","- C14 H25 Co N7 O13 -","- C56 H100 Co4 N28 O52 -","4","1","","Shah, Syed Raza; Shah, Zarbad; Khiat, Mohammed; Khan, Ajmal; Hill, Leila R.; Khan, Shakeel; Hussain, Javid; Csuk, René; Anwar, Muhammad U.; Al-Harrasi, Ahmed","Complexes of N- and O-Donor Ligands as Potential Urease Inhibitors","ACS Omega","2020","","","","","10.1021/acsomega.0c01089","","","0.71073","MoKα","","0.0642","0.0511","","","0.1429","0.1587","","","","","","1.044","","","","has coordinates","250935","2020-10-21","18:00:00",""
"4517587","11.5555","0.0006","11.0401","0.0006","18.0417","0.0008","90","","107.654","0.002","90","","2193.25","0.19","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H24.64 N7 O13 Zn -","- C14 H24.644 N7 O13 Zn -","- C56 H98.576 N28 O52 Zn4 -","4","1","","Shah, Syed Raza; Shah, Zarbad; Khiat, Mohammed; Khan, Ajmal; Hill, Leila R.; Khan, Shakeel; Hussain, Javid; Csuk, René; Anwar, Muhammad U.; Al-Harrasi, Ahmed","Complexes of N- and O-Donor Ligands as Potential Urease Inhibitors","ACS Omega","2020","","","","","10.1021/acsomega.0c01089","","","0.71073","MoKα","","0.0453","0.035","","","0.12","0.1319","","","","","","1.092","","","","has coordinates,has disorder","250935","2020-10-21","18:00:00",""
"4517588","7.1817","0.0009","8.3024","0.001","23.248","0.003","90","","91.594","0.005","90","","1385.6","0.3","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H30 N8 Ni O12 S2 -","- C20 H30 N8 Ni O12 S2 -","- C40 H60 N16 Ni2 O24 S4 -","2","0.5","","Shah, Syed Raza; Shah, Zarbad; Khiat, Mohammed; Khan, Ajmal; Hill, Leila R.; Khan, Shakeel; Hussain, Javid; Csuk, René; Anwar, Muhammad U.; Al-Harrasi, Ahmed","Complexes of N- and O-Donor Ligands as Potential Urease Inhibitors","ACS Omega","2020","","","","","10.1021/acsomega.0c01089","","","0.71073","MoKα","","0.0397","0.0359","","","0.1397","0.1453","","","","","","1.344","","","","has coordinates","301843","2025-08-21","01:59:38",""
"4517589","7.1297","0.0006","7.9881","0.0008","12.2187","0.0008","84.616","0.002","86.409","0.004","82.067","0.004","685.32","0.1","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H30 Co N8 O14 -","- C20 H30 Co N8 O14 -","- C20 H30 Co N8 O14 -","1","0.5","","Shah, Syed Raza; Shah, Zarbad; Khiat, Mohammed; Khan, Ajmal; Hill, Leila R.; Khan, Shakeel; Hussain, Javid; Csuk, René; Anwar, Muhammad U.; Al-Harrasi, Ahmed","Complexes of N- and O-Donor Ligands as Potential Urease Inhibitors","ACS Omega","2020","","","","","10.1021/acsomega.0c01089","","","0.71073","MoKα","","0.0357","0.0293","","","0.0877","0.0914","","","","","","1.234","","","","has coordinates","301843","2025-08-21","01:59:38",""
"4517590","7.152","0.003","7.947","0.004","12.222","0.005","84.7","0.02","86.949","0.013","82.23","0.02","684.8","0.5","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H30 N8 O14 Zn -","- C20 H30 N8 O14 Zn -","- C20 H30 N8 O14 Zn -","1","0.5","","Shah, Syed Raza; Shah, Zarbad; Khiat, Mohammed; Khan, Ajmal; Hill, Leila R.; Khan, Shakeel; Hussain, Javid; Csuk, René; Anwar, Muhammad U.; Al-Harrasi, Ahmed","Complexes of N- and O-Donor Ligands as Potential Urease Inhibitors","ACS Omega","2020","","","","","10.1021/acsomega.0c01089","","","0.71075","MoKα","","0.0397","0.0301","","","0.0713","0.0758","","","","","","1.083","","","","has coordinates","301843","2025-08-21","01:59:38",""
"4517601","18.0031","0.0008","12.0358","0.0006","7.5303","0.0004","90","","99.337","0.002","90","","1610.06","0.14","100","","100","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C22 H16 O3 -","- C22 H16 O3 -","- C88 H64 O12 -","4","1","","Popova, Marina; Soboleva, Tatiana; Benninghoff, Abby D.; Berreau, Lisa M.","CO Sense and Release Flavonols: Progress toward the Development of an Analyte Replacement PhotoCORM for Use in Living Cells","ACS Omega","2020","","","","","10.1021/acsomega.0c00409","","x-ray","0.71073","MoKα","","0.051","0.0398","","","0.0986","0.1054","","","","","","1.027","","","","has coordinates","301843","2025-08-21","01:59:38",""
"4517602","20.065","0.003","21.913","0.003","16.255","0.003","90","","98.773","0.005","90","","7063.5","1.9","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C74 H30 F16 Fe2 N8 O -","- C74 H30 F16 Fe2 N8 O -","- C296 H120 F64 Fe8 N32 O4 -","4","1","","Thomas, Kolle E.; Settineri, Nicholas S.; Teat, Simon J.; Steene, Erik; Ghosh, Abhik","Molecular Structure of Copper and μ-Oxodiiron Octafluorocorrole Derivatives: Insights into Ligand Noninnocence","ACS Omega","2020","","","","","10.1021/acsomega.0c01035","","","0.7288","Synchrotron","","0.0696","0.0669","","","0.1728","0.1774","","","","","","1.082","","","","has coordinates","251082","2020-10-21","18:00:00",""
"4517603","23.636","0.002","34.02","0.003","30.888","0.003","90","","102.819","0.003","90","","24218","4","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C37.86 H16.14 Cl2.14 Cu F8 N4 O0.14 -","- C37.8571 H16.1429 Cl2.14286 Cu F8 N4 O0.142857 -","- C1060 H452 Cl60 Cu28 F224 N112 O4 -","28","7","","Thomas, Kolle E.; Settineri, Nicholas S.; Teat, Simon J.; Steene, Erik; Ghosh, Abhik","Molecular Structure of Copper and μ-Oxodiiron Octafluorocorrole Derivatives: Insights into Ligand Noninnocence","ACS Omega","2020","","","","","10.1021/acsomega.0c01035","","","0.7288","Synchrotron","","0.0861","0.0779","","","0.2075","0.2137","","","","","","1.034","","","","has coordinates,has disorder","251083","2020-10-21","18:00:00",""
"4517619","11.41","0.0004","38.9819","0.0012","18.2057","0.0007","90","","97.329","0.003","90","","8031.4","0.5","170.01","0.1","170.01","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C90 H80 Br2 N4 Ni -","- C90 H80 Br2 N4 Ni -","- C360 H320 Br8 N16 Ni4 -","4","1","","Zada, Muhammad; Vignesh, Arumugam; Guo, Liwei; Zhang, Randi; Zhang, Wenjuan; Ma, Yanping; Sun, Yang; Sun, Wen-Hua","Sterically and Electronically Modified Aryliminopyridyl-Nickel Bromide Precatalysts for an Access to Branched Polyethylene with Vinyl/Vinylene End Groups","ACS Omega","2020","","","","","10.1021/acsomega.0c01208","","","0.71073","MoKα","","0.1336","0.0859","","","0.1759","0.1933","","","","","","1.063","","","","has coordinates","251217","2020-10-21","18:00:00",""
"4517620","15.6936","0.0004","18.8357","0.0005","14.8346","0.0007","90","","92.195","0.003","90","","4381.9","0.3","170.01","0.1","170.01","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C43 H37 Br2 F N2 Ni O -","- C43 H37 Br2 F N2 Ni O -","- C172 H148 Br8 F4 N8 Ni4 O4 -","4","1","","Zada, Muhammad; Vignesh, Arumugam; Guo, Liwei; Zhang, Randi; Zhang, Wenjuan; Ma, Yanping; Sun, Yang; Sun, Wen-Hua","Sterically and Electronically Modified Aryliminopyridyl-Nickel Bromide Precatalysts for an Access to Branched Polyethylene with Vinyl/Vinylene End Groups","ACS Omega","2020","","","","","10.1021/acsomega.0c01208","","x-ray","0.71073","MoKα","","0.1089","0.0615","","","0.1333","0.1496","","","","","","1.04","","","","has coordinates","251217","2020-10-21","18:00:00",""
"4517622","14.6776","0.0005","20.6265","0.0007","62.33","0.002","90","","90","","90","","18870.3","1.1","297","2","297.58","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C42 H76 Cl4 N2 Zn -","- C42 H76 Cl4 N2 Zn -","- C672 H1216 Cl64 N32 Zn16 -","16","2","","Dubovoy, Viktor; Nawrocki, Shiri; Verma, Gaurav; Wojtas, Lukasz; Desai, Primit; Al-Tameemi, Hassan; Brinzari, Tatiana V.; Stranick, Michael; Chen, Dailin; Xu, Shaopeng; Ma, Shengqian; Boyd, Jeffrey M.; Asefa, Tewodros; Pan, Long","Synthesis, Characterization, and Investigation of the Antimicrobial Activity of Cetylpyridinium Tetrachlorozincate","ACS Omega","2020","","","","","10.1021/acsomega.0c00131","","","1.54178","CuKα","","0.114","0.0553","","","0.0969","0.118","","","","","","1.028","","","","has coordinates","251272","2020-10-21","18:00:00",""
"4517623","14.0801","0.0003","20.5166","0.0004","62.5674","0.0012","90","","90","","90","","18074.2","0.6","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C42 H76 Cl4 N2 O0.13 Zn -","- C42 H76 Cl4 N2 O0.133 Zn -","- C672 H1216 Cl64 N32 O2.128 Zn16 -","16","2","","Dubovoy, Viktor; Nawrocki, Shiri; Verma, Gaurav; Wojtas, Lukasz; Desai, Primit; Al-Tameemi, Hassan; Brinzari, Tatiana V.; Stranick, Michael; Chen, Dailin; Xu, Shaopeng; Ma, Shengqian; Boyd, Jeffrey M.; Asefa, Tewodros; Pan, Long","Synthesis, Characterization, and Investigation of the Antimicrobial Activity of Cetylpyridinium Tetrachlorozincate","ACS Omega","2020","","","","","10.1021/acsomega.0c00131","","","1.54178","CuKα","","0.0772","0.0481","","","0.09","0.0997","","","","","","1.043","","","","has coordinates","251273","2020-10-21","18:00:00",""
"4517638","5.383","0.003","12.923","0.007","43.54","0.02","90","","90","","90","","3029","3","296.15","","296.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C8 H4 N14 O7 -","- C8 H4 N14 O7 -","- C64 H32 N112 O56 -","8","2","","Zhai, Lianjie; Bi, Fuqiang; Zhang, Junlin; Zhang, Jiarong; Li, Xiangzhi; Wang, Bozhou; Chen, Sanping","3,4-Bis(3-tetrazolylfuroxan-4-yl)furoxan: A Linear C-C Bonded Pentaheterocyclic Energetic Material with High Heat of Formation and Superior Performance.","ACS omega","2020","5","19","11115","11122","10.1021/acsomega.0c01048","","","0.71073","MoKα","","0.0707","0.0432","","","0.0899","0.0993","","","","","","0.99","","","","has coordinates","301408","2025-07-30","05:56:22",""
"4517647","15.601","0.004","8.0342","0.0018","17.108","0.004","90","","93.21","0.007","90","","2141","0.9","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C25 H22 Cl N3 O2 Ru -","- C25 H22 Cl N3 O2 Ru -","- C100 H88 Cl4 N12 O8 Ru4 -","4","1","","Matveevskaya, Vladislava V.; Pavlov, Dmitry I.; Sukhikh, Taisiya S.; Gushchin, Artem L.; Ivanov, Alexander Yu; Tennikova, Tatiana B.; Sharoyko, Vladimir V.; Baykov, Sergey V.; Benassi, Enrico; Potapov, Andrei S.","Arene-Ruthenium(II) Complexes Containing 11<i>H</i>-Indeno[1,2-<i>b</i>]quinoxalin-11-one Derivatives and Tryptanthrin-6-oxime: Synthesis, Characterization, Cytotoxicity, and Catalytic Transfer Hydrogenation of Aryl Ketones.","ACS omega","2020","5","19","11167","11179","10.1021/acsomega.0c01204","","","0.71073","MoKα","","0.0211","0.019","","","0.0508","0.0525","","","","","","1.069","","","","has coordinates","252591","2020-10-21","18:00:00",""
"4517648","15.3365","0.001","8.0892","0.0006","17.0781","0.0014","90","","93.968","0.002","90","","2113.6","0.3","200","2","200","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C25 H22 Cl N3 O Ru -","- C25 H22 Cl N3 O Ru -","- C100 H88 Cl4 N12 O4 Ru4 -","4","1","","Matveevskaya, Vladislava V.; Pavlov, Dmitry I.; Sukhikh, Taisiya S.; Gushchin, Artem L.; Ivanov, Alexander Yu; Tennikova, Tatiana B.; Sharoyko, Vladimir V.; Baykov, Sergey V.; Benassi, Enrico; Potapov, Andrei S.","Arene-Ruthenium(II) Complexes Containing 11<i>H</i>-Indeno[1,2-<i>b</i>]quinoxalin-11-one Derivatives and Tryptanthrin-6-oxime: Synthesis, Characterization, Cytotoxicity, and Catalytic Transfer Hydrogenation of Aryl Ketones.","ACS omega","2020","5","19","11167","11179","10.1021/acsomega.0c01204","","","0.71073","MoKα","","0.0273","0.0224","","","0.054","0.0565","","","","","","1.026","","","","has coordinates","252591","2020-10-21","18:00:00",""
"4517649","34.0106","0.0013","12.5712","0.0005","20.0181","0.0008","90","","123.395","0.001","90","","7145.7","0.5","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C35.5 H41 Cl3 N4 O2.5 Ru2 -","- C35.5 H39.4997 Cl3 N4 O2.4999 Ru2 -","- C284 H315.998 Cl24 N32 O19.9992 Ru16 -","8","1","","Matveevskaya, Vladislava V.; Pavlov, Dmitry I.; Sukhikh, Taisiya S.; Gushchin, Artem L.; Ivanov, Alexander Yu; Tennikova, Tatiana B.; Sharoyko, Vladimir V.; Baykov, Sergey V.; Benassi, Enrico; Potapov, Andrei S.","Arene-Ruthenium(II) Complexes Containing 11<i>H</i>-Indeno[1,2-<i>b</i>]quinoxalin-11-one Derivatives and Tryptanthrin-6-oxime: Synthesis, Characterization, Cytotoxicity, and Catalytic Transfer Hydrogenation of Aryl Ketones.","ACS omega","2020","5","19","11167","11179","10.1021/acsomega.0c01204","","","0.71073","MoKα","","0.0447","0.0313","","","0.0724","0.0788","","","","","","1.02","","","","has coordinates,has disorder","252591","2020-10-21","18:00:00",""
"4517650","18.414","0.002","16.071","0.002","7.6248","0.0011","90","","97.453","0.004","90","","2237.4","0.5","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25.5 H24.5 Cl N4.5 O1.5 Ru -","- C25.5 H24.5 Cl N4.5 O1.5 Ru -","- C102 H98 Cl4 N18 O6 Ru4 -","4","1","","Matveevskaya, Vladislava V.; Pavlov, Dmitry I.; Sukhikh, Taisiya S.; Gushchin, Artem L.; Ivanov, Alexander Yu; Tennikova, Tatiana B.; Sharoyko, Vladimir V.; Baykov, Sergey V.; Benassi, Enrico; Potapov, Andrei S.","Arene-Ruthenium(II) Complexes Containing 11<i>H</i>-Indeno[1,2-<i>b</i>]quinoxalin-11-one Derivatives and Tryptanthrin-6-oxime: Synthesis, Characterization, Cytotoxicity, and Catalytic Transfer Hydrogenation of Aryl Ketones.","ACS omega","2020","5","19","11167","11179","10.1021/acsomega.0c01204","","","0.71073","MoKα","","0.0424","0.0296","","","0.0597","0.0639","","","","","","1.023","","","","has coordinates,has disorder","252591","2020-10-21","18:00:00",""
"4517654","7.801","0.004","12.152","0.006","15.317","0.008","90","","102.595","0.014","90","","1417.1","1.3","93","","93","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H26 O2 P2 Se4 -","- C28 H26 O2 P2 Se4 -","- C56 H52 O4 P4 Se8 -","2","0.5","","Hua, Guoxiong; Cordes, David B.; Slawin, Alexandra M. Z.; Woollins, J. Derek","Novel Five- and Six-Membered Rings of Phosphorus-Selenium Heterocycles from Selenation of Amido-Schiff Bases.","ACS omega","2020","5","20","11737","11744","10.1021/acsomega.0c01064","","","0.71075","MoKα","","0.0893","0.0676","","","0.1573","0.1738","","","","","","1.029","","","","has coordinates","301843","2025-08-21","01:59:38",""
"4517655","9.3324","0.0013","9.3983","0.0007","12.8393","0.0014","70.724","0.011","88.5","0.014","64.524","0.008","950.7","0.2","173","","173","","","","","","","","","6","P -1","-P 1","2","","","","- C32 H34 Cl4 O4 P2 Se4 -","- C32 H34 Cl4 O4 P2 Se4 -","- C32 H34 Cl4 O4 P2 Se4 -","1","0.5","","Hua, Guoxiong; Cordes, David B.; Slawin, Alexandra M. Z.; Woollins, J. Derek","Novel Five- and Six-Membered Rings of Phosphorus-Selenium Heterocycles from Selenation of Amido-Schiff Bases.","ACS omega","2020","5","20","11737","11744","10.1021/acsomega.0c01064","","","0.71075","MoKα","","0.0259","0.0221","","","0.0567","0.0576","","","","","","1.072","","","","has coordinates","301843","2025-08-21","01:59:38",""
"4517656","7.22","0.002","14.28","0.005","13.986","0.004","90","","98.244","0.007","90","","1427.1","0.8","173","","173","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H22 O4 P2 Se4 -","- C28 H22 O4 P2 Se4 -","- C56 H44 O8 P4 Se8 -","2","0.5","","Hua, Guoxiong; Cordes, David B.; Slawin, Alexandra M. Z.; Woollins, J. Derek","Novel Five- and Six-Membered Rings of Phosphorus-Selenium Heterocycles from Selenation of Amido-Schiff Bases.","ACS omega","2020","5","20","11737","11744","10.1021/acsomega.0c01064","","","0.71075","MoKα","","0.1034","0.0427","","","0.0775","0.0875","","","","","","0.897","","","","has coordinates","301843","2025-08-21","01:59:38",""
"4517657","7.495","0.004","7.59","0.004","12.69","0.006","95.836","0.013","96.199","0.007","107.677","0.014","676.9","0.6","173","","173","","","","","","","","","5","P -1","-P 1","2","","","","- C16 H12 N2 O2 Se -","- C16 H12 N2 O2 Se -","- C32 H24 N4 O4 Se2 -","2","1","","Hua, Guoxiong; Cordes, David B.; Slawin, Alexandra M. Z.; Woollins, J. Derek","Novel Five- and Six-Membered Rings of Phosphorus-Selenium Heterocycles from Selenation of Amido-Schiff Bases.","ACS omega","2020","5","20","11737","11744","10.1021/acsomega.0c01064","","","0.71075","MoKα","","0.0672","0.0475","","","0.1081","0.13","","","","","","0.989","","","","has coordinates","301843","2025-08-21","01:59:38",""
"4517658","9.609","0.0012","23.648","0.003","11.5281","0.0014","90","","101.559","0.003","90","","2566.4","0.6","173","","173","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C25 H25 Cl2 N2 P Se2 -","- C25 H25 Cl2 N2 P Se2 -","- C100 H100 Cl8 N8 P4 Se8 -","4","1","","Hua, Guoxiong; Cordes, David B.; Slawin, Alexandra M. Z.; Woollins, J. Derek","Novel Five- and Six-Membered Rings of Phosphorus-Selenium Heterocycles from Selenation of Amido-Schiff Bases.","ACS omega","2020","5","20","11737","11744","10.1021/acsomega.0c01064","","","0.71075","MoKα","","0.0264","0.0213","","","0.0509","0.0525","","","","","","1.034","","","","has coordinates","301843","2025-08-21","01:59:38",""
"4517659","11.336","0.002","9.2316","0.0016","20.825","0.004","90","","98.573","0.005","90","","2155","0.7","173","","173","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H21 N2 P Se2 -","- C23 H21 N2 P Se2 -","- C92 H84 N8 P4 Se8 -","4","1","","Hua, Guoxiong; Cordes, David B.; Slawin, Alexandra M. Z.; Woollins, J. Derek","Novel Five- and Six-Membered Rings of Phosphorus-Selenium Heterocycles from Selenation of Amido-Schiff Bases.","ACS omega","2020","5","20","11737","11744","10.1021/acsomega.0c01064","","","0.71075","MoKα","","0.0768","0.0512","","","0.1287","0.1454","","","","","","1.121","","","","has coordinates","301843","2025-08-21","01:59:38",""
"4517660","12.7802","0.0014","12.2729","0.0014","14.4466","0.0019","90","","105.094","0.003","90","","2187.8","0.5","173","","173","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H21 N2 P Se2 -","- C23 H21 N2 P Se2 -","- C92 H84 N8 P4 Se8 -","4","1","","Hua, Guoxiong; Cordes, David B.; Slawin, Alexandra M. Z.; Woollins, J. Derek","Novel Five- and Six-Membered Rings of Phosphorus-Selenium Heterocycles from Selenation of Amido-Schiff Bases.","ACS omega","2020","5","20","11737","11744","10.1021/acsomega.0c01064","","","0.71075","MoKα","","0.0351","0.0248","","","0.0566","0.0602","","","","","","1.013","","","","has coordinates","301843","2025-08-21","01:59:38",""
"4517661","14.79","0.002","8.9919","0.001","18.129","0.003","90","","108.719","0.004","90","","2283.4","0.6","173","","173","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H25 N2 P Se2 -","- C24 H25 N2 P Se2 -","- C96 H100 N8 P4 Se8 -","4","1","","Hua, Guoxiong; Cordes, David B.; Slawin, Alexandra M. Z.; Woollins, J. Derek","Novel Five- and Six-Membered Rings of Phosphorus-Selenium Heterocycles from Selenation of Amido-Schiff Bases.","ACS omega","2020","5","20","11737","11744","10.1021/acsomega.0c01064","","","0.71075","MoKα","","0.0328","0.0231","","","0.0527","0.0562","","","","","","1.021","","","","has coordinates","301843","2025-08-21","01:59:38",""
"4517703","10.822","0.004","8.919","0.003","19.088","0.007","90","","105.07","0.05","90","","1779","1.2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C19 H18 Cl Cu N3 O4 -","- C19 H18 Cl Cu N3 O4 -","- C76 H72 Cl4 Cu4 N12 O16 -","4","1","","Emami, Marzieh; Bikas, Rahman; Noshiranzadeh, Nader; Kozakiewicz, Anna; Lis, Tadeusz","Cu(II)-Hydrazide Coordination Compound Supported on Silica Gel as an Efficient and Recyclable Heterogeneous Catalyst for Green Click Synthesis of β-Hydroxy-1,2,3-triazoles in Water","ACS Omega","2020","","","","","10.1021/acsomega.0c01491","","","0.71073","MoKα","","0.0907","0.0596","","","0.1251","0.1436","","","","","","1.078","","","","has coordinates","252354","2020-10-21","18:00:00",""
"4517704","9.873","0.002","12.958","0.003","8.353","0.002","90","","90","","90","","1068.6","0.4","293","2","293","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C11 H13 N3 O -","- C11 H13 N3 O -","- C44 H52 N12 O4 -","4","1","","Emami, Marzieh; Bikas, Rahman; Noshiranzadeh, Nader; Kozakiewicz, Anna; Lis, Tadeusz","Cu(II)-Hydrazide Coordination Compound Supported on Silica Gel as an Efficient and Recyclable Heterogeneous Catalyst for Green Click Synthesis of β-Hydroxy-1,2,3-triazoles in Water","ACS Omega","2020","","","","","10.1021/acsomega.0c01491","","","0.71073","MoKα","","0.1154","0.0483","","","0.0654","0.0869","","","","","","0.956","","","","has coordinates","301843","2025-08-21","01:59:38",""
"4517705","5.7635","0.0013","24.996","0.006","8.917","0.002","90","","97.92","0.02","90","","1272.4","0.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H17 N3 O2 -","- C13 H17 N3 O2 -","- C52 H68 N12 O8 -","4","1","","Emami, Marzieh; Bikas, Rahman; Noshiranzadeh, Nader; Kozakiewicz, Anna; Lis, Tadeusz","Cu(II)-Hydrazide Coordination Compound Supported on Silica Gel as an Efficient and Recyclable Heterogeneous Catalyst for Green Click Synthesis of β-Hydroxy-1,2,3-triazoles in Water","ACS Omega","2020","","","","","10.1021/acsomega.0c01491","","","0.71073","MoKα","","0.2462","0.0938","","","0.1592","0.2273","","","","","","0.996","","","","has coordinates","301843","2025-08-21","01:59:38",""
"4517739","15.3733","0.0001","7.8961","0.0001","24.1511","0.0002","90","","92.627","0.001","90","","2928.6","0.05","100","0.17","100","0.17","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C15 H16 O10 -","- C15 H15.5 O10 -","- C120 H124 O80 -","8","2","","Hu, Hongchao; Luo, Fan; Wang, Mingjie; Fu, Zhihuan; Shu, Xugang","New Method for Extracting and Purifying Dihydromyricetin from <i>Ampelopsis grossedentata</i>.","ACS omega","2020","5","23","13955","13962","10.1021/acsomega.0c01222","","x-ray","1.54184","CuKα","","0.0382","0.0344","","","0.0933","0.0956","","","","","","1.064","","","","has coordinates","301408","2025-07-30","05:56:22",""
"4517747","9.26094","0.00004","9.56903","0.00005","13.38456","0.00006","90","","90","","90","","1186.12","0.01","150","0.1","150","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H14 N2 O3 -","- C13 H14 N2 O3 -","- C52 H56 N8 O12 -","4","1","","Liu, Xin; Carr, Paul; Gardiner, Michael G.; Banwell, Martin G.; Elbanna, Ahmed H.; Khalil, Zeinab G.; Capon, Robert J.","Levoglucosenone and Its Pseudoenantiomer <i>iso</i>-Levoglucosenone as Scaffolds for Drug Discovery and Development.","ACS omega","2020","5","23","13926","13939","10.1021/acsomega.0c01331","","x-ray","1.54184","CuKα","","0.0409","0.0408","","","0.1194","0.1196","","","","","","1.191","","","","has coordinates","301843","2025-08-21","01:59:38",""
"4517748","7.9009","0.0002","10.9614","0.0003","13.2772","0.0004","90","","90","","90","","1149.87","0.06","150.01","0.1","150.01","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C11 H7 Cl N2 O5 -","- C11 H7 Cl N2 O5 -","- C44 H28 Cl4 N8 O20 -","4","1","","Liu, Xin; Carr, Paul; Gardiner, Michael G.; Banwell, Martin G.; Elbanna, Ahmed H.; Khalil, Zeinab G.; Capon, Robert J.","Levoglucosenone and Its Pseudoenantiomer <i>iso</i>-Levoglucosenone as Scaffolds for Drug Discovery and Development.","ACS omega","2020","5","23","13926","13939","10.1021/acsomega.0c01331","","x-ray","0.71073","MoKα","","0.0394","0.036","","","0.0742","0.0764","","","","","","1.037","","","","has coordinates","301843","2025-08-21","01:59:38",""
"4517749","9.6892","0.0004","9.8837","0.0004","10.8874","0.0004","90","","90","","90","","1042.63","0.07","150","0.1","150","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H8 N2 O5 -","- C11 H8 N2 O5 -","- C44 H32 N8 O20 -","4","1","","Liu, Xin; Carr, Paul; Gardiner, Michael G.; Banwell, Martin G.; Elbanna, Ahmed H.; Khalil, Zeinab G.; Capon, Robert J.","Levoglucosenone and Its Pseudoenantiomer <i>iso</i>-Levoglucosenone as Scaffolds for Drug Discovery and Development.","ACS omega","2020","5","23","13926","13939","10.1021/acsomega.0c01331","","x-ray","0.71073","MoKα","","0.0409","0.037","","","0.081","0.0831","","","","","","1.053","","","","has coordinates","301843","2025-08-21","01:59:38",""
"4517750","5.6724","0.0002","9.6556","0.0003","9.4591","0.0004","90","","103.91","0.004","90","","502.89","0.03","150","0.1","150","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C11 H8 N2 O5 -","- C11 H8 N2 O5 -","- C22 H16 N4 O10 -","2","1","","Liu, Xin; Carr, Paul; Gardiner, Michael G.; Banwell, Martin G.; Elbanna, Ahmed H.; Khalil, Zeinab G.; Capon, Robert J.","Levoglucosenone and Its Pseudoenantiomer <i>iso</i>-Levoglucosenone as Scaffolds for Drug Discovery and Development.","ACS omega","2020","5","23","13926","13939","10.1021/acsomega.0c01331","","x-ray","0.71073","MoKα","","0.0373","0.0347","","","0.0765","0.0778","","","","","","1.072","","","","has coordinates","301843","2025-08-21","01:59:38",""
"4517751","14.9944","0.0003","14.9944","0.0003","9.2172","0.0001","90","","90","","120","","1794.68","0.05","150","0.1","150","0.1","","","","","","","","4","P 32 2 1","P 32 2""","154","","","","- C11 H11 N2 O3.5 -","- C11 H11 N2 O3.5 -","- C66 H66 N12 O21 -","6","1","","Liu, Xin; Carr, Paul; Gardiner, Michael G.; Banwell, Martin G.; Elbanna, Ahmed H.; Khalil, Zeinab G.; Capon, Robert J.","Levoglucosenone and Its Pseudoenantiomer <i>iso</i>-Levoglucosenone as Scaffolds for Drug Discovery and Development.","ACS omega","2020","5","23","13926","13939","10.1021/acsomega.0c01331","","x-ray","1.54184","CuKα","","0.0317","0.0311","","","0.0957","0.0962","","","","","","1.133","","","","has coordinates","301843","2025-08-21","01:59:38",""
"4517752","4.7466","0.0001","12.1979","0.0002","16.5531","0.0003","90","","90","","90","","958.4","0.03","150.01","0.1","150.01","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H8 N2 O3 -","- C11 H8 N2 O3 -","- C44 H32 N8 O12 -","4","1","","Liu, Xin; Carr, Paul; Gardiner, Michael G.; Banwell, Martin G.; Elbanna, Ahmed H.; Khalil, Zeinab G.; Capon, Robert J.","Levoglucosenone and Its Pseudoenantiomer <i>iso</i>-Levoglucosenone as Scaffolds for Drug Discovery and Development.","ACS omega","2020","5","23","13926","13939","10.1021/acsomega.0c01331","","x-ray","1.54184","CuKα","","0.0326","0.0313","","","0.0821","0.0831","","","","","","1.063","","","","has coordinates","301843","2025-08-21","01:59:38",""
"4517753","8.3394","0.0003","9.2251","0.0003","10.2483","0.0003","112.584","0.003","102.063","0.003","99.352","0.003","685.68","0.05","150","0.1","150","0.1","","","","","","","","5","P 1","P 1","1","","","","- C13 H14 Cl2 N2 O2 -","- C13 H14 Cl2 N2 O2 -","- C26 H28 Cl4 N4 O4 -","2","2","","Liu, Xin; Carr, Paul; Gardiner, Michael G.; Banwell, Martin G.; Elbanna, Ahmed H.; Khalil, Zeinab G.; Capon, Robert J.","Levoglucosenone and Its Pseudoenantiomer <i>iso</i>-Levoglucosenone as Scaffolds for Drug Discovery and Development.","ACS omega","2020","5","23","13926","13939","10.1021/acsomega.0c01331","","x-ray","1.54184","CuKα","","0.0309","0.0305","","","0.0866","0.0873","","","","","","1.048","","","","has coordinates","253720","2020-10-21","18:00:00",""
"4517754","10.0284","0.0003","11.8376","0.0003","18.0484","0.0005","90","","90","","90","","2142.57","0.1","150","0.1","150","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H8 N2 O5 -","- C11 H8 N2 O5 -","- C88 H64 N16 O40 -","8","2","","Liu, Xin; Carr, Paul; Gardiner, Michael G.; Banwell, Martin G.; Elbanna, Ahmed H.; Khalil, Zeinab G.; Capon, Robert J.","Levoglucosenone and Its Pseudoenantiomer <i>iso</i>-Levoglucosenone as Scaffolds for Drug Discovery and Development.","ACS omega","2020","5","23","13926","13939","10.1021/acsomega.0c01331","","x-ray","0.71073","MoKα","","0.0453","0.039","","","0.0794","0.0823","","","","","","1.071","","","","has coordinates","301843","2025-08-21","01:59:38",""
"4517755","9.90829","0.00008","9.74229","0.00007","19.67523","0.00017","90","","102.549","0.0008","90","","1853.87","0.03","150","0.1","150","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C11 H10 N2 O2 -","- C11 H10 N2 O2 -","- C88 H80 N16 O16 -","8","4","","Liu, Xin; Carr, Paul; Gardiner, Michael G.; Banwell, Martin G.; Elbanna, Ahmed H.; Khalil, Zeinab G.; Capon, Robert J.","Levoglucosenone and Its Pseudoenantiomer <i>iso</i>-Levoglucosenone as Scaffolds for Drug Discovery and Development.","ACS omega","2020","5","23","13926","13939","10.1021/acsomega.0c01331","","x-ray","1.54184","CuKα","","0.0363","0.0359","","","0.0963","0.0971","","","","","","1.037","","","","has coordinates","301843","2025-08-21","01:59:38",""
"4517765","6.9727","0.0011","19.869","0.003","12.956","0.002","90","","91.013","0.004","90","","1794.7","0.5","101","","101","","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C23 H20 N2 -","- C23 H20 N2 -","- C92 H80 N8 -","4","1","","Adhikary, Saswati; Majumder, Leena; Pakrashy, Sourav; Srinath, Ravuri; Mukherjee, Kaustuv; Mandal, Chitra; Banerji, Biswadip","Polysubstituted Imidazoles as LysoTracker Molecules: Their Synthesis via Iodine/H<sub>2</sub>O and Cell-Imaging Studies.","ACS omega","2020","5","24","14394","14407","10.1021/acsomega.0c00934","","","1.54178","CuKα","","0.0354","0.0353","","","0.0871","0.0871","","","","","","1.104","","","","has coordinates","301843","2025-08-21","01:59:38",""
"4517766","9.9474","0.0003","14.0292","0.0004","18.0762","0.0006","90","","91.968","0.001","90","","2521.12","0.13","100","","100","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C36 H26 N2 -","- C36 H26 N2 -","- C144 H104 N8 -","4","1","","Adhikary, Saswati; Majumder, Leena; Pakrashy, Sourav; Srinath, Ravuri; Mukherjee, Kaustuv; Mandal, Chitra; Banerji, Biswadip","Polysubstituted Imidazoles as LysoTracker Molecules: Their Synthesis via Iodine/H<sub>2</sub>O and Cell-Imaging Studies.","ACS omega","2020","5","24","14394","14407","10.1021/acsomega.0c00934","","","1.54178","CuKα","","0.0364","0.0355","","","0.0888","0.0896","","","","","","1.054","","","","has coordinates","301843","2025-08-21","01:59:38",""
"4517767","5.8952","0.0004","8.3803","0.0004","21.5947","0.0013","94.192","0.005","91.254","0.005","96.483","0.005","1056.71","0.11","293","","293","","","","","","","","","6","P -1","-P 1","2","","","","- C24 H19 F N2 O4 S -","- C24 H19 F N2 O4 S -","- C48 H38 F2 N4 O8 S2 -","2","1","","Wang, Ning; Yang, Qin; Deng, Zhihong; Mao, Xuechun; Peng, Yiyuan","Rhodium-Catalyzed Merging of 2-Arylquinazolinone and 2,2-Difluorovinyl Tosylate: Diverse Synthesis of Monofluoroolefin Quinazolinone Derivatives.","ACS omega","2020","5","24","14635","14644","10.1021/acsomega.0c01344","","x-ray","0.71073","MoKα","","0.0631","0.05","","","0.1179","0.1264","","","","","","1.062","","","","has coordinates","301843","2025-08-21","01:59:38",""
"4517780","12.4492","0.0011","12.9077","0.0012","16.7609","0.0015","93.584","0.002","93.336","0.002","116.209","0.001","2400.6","0.4","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H32 Cl4 N12 Ni2 O12 -","- C32 H32 Cl4 N12 Ni2 O12 -","- C64 H64 Cl8 N24 Ni4 O24 -","2","1","","Arunachalam, Rajendran; Chinnaraja, Eswaran; Subramanian, Saravanan; Suresh, Eringathodi; Subramanian, Palani S.","Catalytic Conversion of Carbon Dioxide Using Binuclear Double-Stranded Helicates: Cyclic Carbonate from Epoxides and Diol","ACS Omega","2020","5","25","14890","14899","10.1021/acsomega.9b04241","","","0.71073","MoKα","","0.0966","0.0782","","","0.1962","0.2073","","","","","","1.068","","","","has coordinates","257067","2020-10-21","18:00:00",""
"4517781","16.747","0.004","16.263","0.004","16.884","0.004","90","","102.324","0.004","90","","4492.5","1.9","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C32 H32 N16 O16 Zn2 -","- C32 H32 N16 O16 Zn2 -","- C128 H128 N64 O64 Zn8 -","4","0.5","","Arunachalam, Rajendran; Chinnaraja, Eswaran; Subramanian, Saravanan; Suresh, Eringathodi; Subramanian, Palani S.","Catalytic Conversion of Carbon Dioxide Using Binuclear Double-Stranded Helicates: Cyclic Carbonate from Epoxides and Diol","ACS Omega","2020","5","25","14890","14899","10.1021/acsomega.9b04241","","","0.71073","MoKα","","0.0906","0.0789","","","0.2137","0.2191","","","","","","1.12","","","","has coordinates","257067","2020-10-21","18:00:00",""
"4517782","17.656","0.005","9.054","0.003","9.668","0.003","90","","102.861","0.006","90","","1506.7","0.8","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H14 N6 O2 -","- C15 H14 N6 O2 -","- C60 H56 N24 O8 -","4","1","","Arunachalam, Rajendran; Chinnaraja, Eswaran; Subramanian, Saravanan; Suresh, Eringathodi; Subramanian, Palani S.","Catalytic Conversion of Carbon Dioxide Using Binuclear Double-Stranded Helicates: Cyclic Carbonate from Epoxides and Diol","ACS Omega","2020","5","25","14890","14899","10.1021/acsomega.9b04241","","","0.71073","MoKα","","0.1612","0.1239","","","0.2839","0.301","","","","","","1.185","","","","has coordinates","301843","2025-08-21","01:59:38",""
"4517783","8.6269","0.0002","9.0681","0.0002","14.8527","0.0003","75.02","0.0006","86.4","0.0008","65.994","0.001","1024.16","0.04","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H23 N O3 Sn -","- C23 H23 N O3 Sn -","- C46 H46 N2 O6 Sn2 -","2","1","","Khan, Huzaifa Yasir; Maurya, Santosh K.; Siddique, Hifzur R.; Yousuf, Shariq; Arjmand, Farukh","New Tailored RNA-Targeted Organometallic Drug Candidates against Huh7 (Liver) and Du145 (Prostate) Cancer Cell Lines","ACS Omega","2020","5","25","15218","15228","10.1021/acsomega.0c01206","","","0.71073","MoKα","","0.0266","0.0235","","","0.0486","0.0504","","","","","","1.0529","","","","has coordinates","257068","2020-10-21","18:00:00",""
"4517784","9.833","0.0003","17.3251","0.0007","11.7851","0.0004","90","","94.219","0.002","90","","2002.24","0.12","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C12 H12 N2 -","- C12 H12 N2 -","- C96 H96 N16 -","8","2","","Mbugua, Simon N.; Sibuyi, Nicole R. S.; Njenga, Lydia W.; Odhiambo, Ruth A.; Wandiga, Shem O.; Meyer, Mervin; Lalancette, Roger A.; Onani, Martin O.","New Palladium(II) and Platinum(II) Complexes Based on Pyrrole Schiff Bases: Synthesis, Characterization, X-ray Structure, and Anticancer Activity","ACS Omega","2020","5","25","14942","14954","10.1021/acsomega.0c00360","","","1.54178","CuKα","","0.0338","0.0321","","","0.0876","0.0892","","","","","","1.031","","","","has coordinates","301843","2025-08-21","01:59:38",""
"4517785","9.6273","0.0004","9.7032","0.0004","20.4587","0.0009","90","","96.053","0.002","90","","1900.51","0.14","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C10 H10 N2 S -","- C10 H10 N2 S -","- C80 H80 N16 S8 -","8","1","","Mbugua, Simon N.; Sibuyi, Nicole R. S.; Njenga, Lydia W.; Odhiambo, Ruth A.; Wandiga, Shem O.; Meyer, Mervin; Lalancette, Roger A.; Onani, Martin O.","New Palladium(II) and Platinum(II) Complexes Based on Pyrrole Schiff Bases: Synthesis, Characterization, X-ray Structure, and Anticancer Activity","ACS Omega","2020","5","25","14942","14954","10.1021/acsomega.0c00360","","","1.54178","CuKα","","0.0596","0.0576","","","0.1632","0.1648","","","","","","1.075","","","","has coordinates","301843","2025-08-21","01:59:38",""
"4517786","8.0734","0.0001","18.0661","0.0003","11.5367","0.0002","90","","94.229","0.001","90","","1678.1","0.05","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C14 H18 Cl2 N2 O Pt S -","- C14 H18 Cl2 N2 O Pt S -","- C56 H72 Cl8 N8 O4 Pt4 S4 -","4","1","","Mbugua, Simon N.; Sibuyi, Nicole R. S.; Njenga, Lydia W.; Odhiambo, Ruth A.; Wandiga, Shem O.; Meyer, Mervin; Lalancette, Roger A.; Onani, Martin O.","New Palladium(II) and Platinum(II) Complexes Based on Pyrrole Schiff Bases: Synthesis, Characterization, X-ray Structure, and Anticancer Activity","ACS Omega","2020","5","25","14942","14954","10.1021/acsomega.0c00360","","","1.54178","CuKα","","0.0222","0.0215","","","0.0494","0.0497","","","","","","1.212","","","","has coordinates","257069","2020-10-21","18:00:00",""
"4517787","7.0497","0.0011","8.924","0.0009","22.361","0.003","90","","93.939","0.011","90","","1403.4","0.3","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H11 N5 O -","- C17 H11 N5 O -","- C68 H44 N20 O4 -","4","1","","Kvashnin, Yuriy A.; Verbitskiy, Egor V.; Zhilina, Ekaterina F.; Rusinov, Gennady L.; Chupakhin, Oleg N.; Charushin, Valery N.","Synthesis of Heteroannulated Indolopyrazines through Domino N‒H Palladium-Catalyzed/Metal-Free Oxidative C‒H Bond Activation","ACS Omega","2020","5","25","15681","15690","10.1021/acsomega.0c01945","","","0.71073","MoKα","","0.1272","0.0515","","","0.1095","0.1511","","","","","","1.001","","","","has coordinates","257070","2020-10-21","18:00:00",""
"4517788","12.269","0.0008","9.289","0.0007","21.0005","0.0016","90","","92.724","0.002","90","","2390.7","0.3","373","2","373","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H26 Mn2 N2 O10 -","- C16 H26 Mn2 N2 O10 -","- C64 H104 Mn8 N8 O40 -","4","1","","Dera, Przemyslaw; Bruffey, Edward; Finkelstein, Gregory J.; Kelly, Colleen; Gigante, Angelina; Hagemann, Hans; Severa, Godwin","Synthesis, Characterization, and Crystal Structures of Two New Manganese Aceto EMIM Ionic Compounds with Chains of Mn2+ Ions Coordinated Exclusively by Acetate","ACS Omega","2020","5","25","15592","15600","10.1021/acsomega.0c01820","","","0.56086","AgKα","","0.0707","0.0532","","","0.1036","0.1095","","","","","","1.116","","","","has coordinates,has disorder","257071","2020-10-21","18:00:00",""
"4517789","9.362","0.002","10.82","0.003","12.659","0.003","70.17","0.005","87.581","0.005","79.631","0.006","1186.3","0.5","573","2","573","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H28 Mn2 N2 O11 -","- C16 H28 Mn2 N2 O11 -","- C32 H56 Mn4 N4 O22 -","2","1","","Dera, Przemyslaw; Bruffey, Edward; Finkelstein, Gregory J.; Kelly, Colleen; Gigante, Angelina; Hagemann, Hans; Severa, Godwin","Synthesis, Characterization, and Crystal Structures of Two New Manganese Aceto EMIM Ionic Compounds with Chains of Mn2+ Ions Coordinated Exclusively by Acetate","ACS Omega","2020","5","25","15592","15600","10.1021/acsomega.0c01820","","","0.56086","AgKα","","0.1143","0.0661","","","0.1493","0.177","","","","","","1.029","","","","has coordinates","257071","2020-10-21","18:00:00",""
"4517806","8.2589","0.0017","21.876","0.005","10.255","0.002","90","","94.625","0.004","90","","1846.8","0.7","296.15","","296.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H21 N O3 S -","- C21 H21 N O3 S -","- C84 H84 N4 O12 S4 -","4","2","","Huang, Yinhua; Wang, Lijun; Li, Junbao; Qiu, Huayu; Leung, Pak-Hing","Enantioselective C,P-Palladacycle-Catalyzed Arylation of Imines","ACS Omega","2020","","","","","10.1021/acsomega.0c01124","","","0.71073","MoKα","","0.0708","0.0459","","","0.0947","0.108","","","","","","1.013","","","","has coordinates","301843","2025-08-21","01:59:38",""
"4517810","9.532","0.005","11.506","0.006","14.533","0.008","99.097","0.007","90.829","0.007","104.91","0.007","1518.3","1.4","293","","293","","","","","","","","","6","P -1","-P 1","2","","","","- C46 H38 Cl0 Mn3 N4 O16 -","- C46 H38 Mn3 N4 O16 -","- C46 H38 Mn3 N4 O16 -","1","0.5","","Hazra, Abhijit; Bej, Sourav; Mondal, Amita; Murmu, Naresh Chandra; Banerjee, Priyabrata","Discerning Detection of Mutagenic Biopollutant TNP from Water and Soil Samples with Transition Metal-Containing Luminescence Metal‒Organic Frameworks","ACS Omega","2020","","","","","10.1021/acsomega.0c01194","","","0.71073","MoKα","","0.1529","0.0679","","","0.1566","0.1816","","","","","","0.812","","","","has coordinates","253449","2020-10-21","18:00:00",""
"4517811","9.6055","0.001","11.5225","0.0012","14.5832","0.0017","98.467","0.004","90.413","0.004","105.395","0.004","1537.4","0.3","124","2","124.59","","","","","","","","","5","P -1","-P 1","2","","","","- C46 H38 Cd3 N4 O16 -","- C46 H38 Cd3 N4 O16 -","- C46 H38 Cd3 N4 O16 -","1","0.5","","Hazra, Abhijit; Bej, Sourav; Mondal, Amita; Murmu, Naresh Chandra; Banerjee, Priyabrata","Discerning Detection of Mutagenic Biopollutant TNP from Water and Soil Samples with Transition Metal-Containing Luminescence Metal‒Organic Frameworks","ACS Omega","2020","","","","","10.1021/acsomega.0c01194","","","0.71073","MoKα","","0.0636","0.0433","","","0.0934","0.1016","","","","","","1.039","","","","has coordinates","253450","2020-10-21","18:00:00",""
"4517812","8.1842","0.0008","11.5004","0.0015","12.761","0.0013","86.296","0.009","76.709","0.008","69.343","0.01","1093.6","0.2","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H17 F3 N8 O8 -","- C18 H17 F3 N8 O8 -","- C36 H34 F6 N16 O16 -","2","1","","Zhang, Zhuyan; Yu, Nan; Xue, Chang; Gao, Shan; Deng, Zhaopeng; Li, Min; Liu, Cong; Castellot, John; Han, Siying","Potential Anti-Tumor Drug: Co-Crystal 5-Fluorouracil-nicotinamide","ACS Omega","2020","","","","","10.1021/acsomega.9b03574","","","0.71073","MoKα","","0.0782","0.0467","","","0.1072","0.1306","","","","","","1.034","","","","has coordinates","301843","2025-08-21","01:59:38",""
"4517815","11.735","0.0003","12.2363","0.0003","17.4937","0.0005","104.65","0.002","107.734","0.002","95.338","0.002","2275.06","0.11","100","2","99.98","","","","","","","","","8","P -1","-P 1","2","","","","- C49 H51 Cl2 Fe Ir N4 O4 P2 -","- C49 H51 Cl2 Fe Ir N4 O4 P2 -","- C98 H102 Cl4 Fe2 Ir2 N8 O8 P4 -","2","1","","Blumenberg, Jonas; Kampert, Florian; Hepp, Alexander; Hahn, F. Ekkehardt","Synthesis of IrIII Hydrido Complexes by Oxidative Addition of Halogenated Theophylline and Adenine Derivatives","ACS Omega","2020","","","","","10.1021/acsomega.0c02290","","","0.71073","MoKα","","0.0531","0.0463","","","0.1106","0.1134","","","","","","1.127","","","","has coordinates","253569","2020-10-21","18:00:00",""
"4517816","13.6487","0.0002","19.0356","0.0003","18.3707","0.0003","90","","96.227","0.001","90","","4744.75","0.13","100.02","","100.02","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","IrHCl(TheophyllineI_kO1_kN7_(PPh3)2]_x2CHCl3","","- C45 H39 Cl7 I Ir N4 O2 P2 -","- C45 H39 Cl7 I Ir N4 O2 P2 -","- C180 H156 Cl28 I4 Ir4 N16 O8 P8 -","4","1","","Blumenberg, Jonas; Kampert, Florian; Hepp, Alexander; Hahn, F. Ekkehardt","Synthesis of IrIII Hydrido Complexes by Oxidative Addition of Halogenated Theophylline and Adenine Derivatives","ACS Omega","2020","","","","","10.1021/acsomega.0c02290","","","0.71073","MoKα","","0.0408","0.0379","","","0.1104","0.1132","","","","","","1.0374","","","","has coordinates","253570","2020-10-21","18:00:00",""
"4517817","10.4686","0.0005","18.0388","0.0008","31.6485","0.0013","90","","95.908","0.001","90","","5944.8","0.5","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C50 H42 Br2 Cl13 Ir N10 P2 -","- C50 H42 Br2 Cl13 Ir N10 P2 -","- C200 H168 Br8 Cl52 Ir4 N40 P8 -","4","1","","Blumenberg, Jonas; Kampert, Florian; Hepp, Alexander; Hahn, F. Ekkehardt","Synthesis of IrIII Hydrido Complexes by Oxidative Addition of Halogenated Theophylline and Adenine Derivatives","ACS Omega","2020","","","","","10.1021/acsomega.0c02290","","","0.71073","MoKα","","0.064","0.0383","","","0.0674","0.0737","","","","","","1.009","","","","has coordinates","253571","2020-10-21","18:00:00",""
"4517818","31.4221","0.0009","18.4724","0.0005","18.3313","0.0006","90","","96.855","0.001","90","","10564.2","0.5","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C53.2 H48.8 Cl2 Ir N4 O2 P2 -","- C53.2 H37 Cl2 Ir N4 O2 P2 -","- C425.6 H296 Cl16 Ir8 N32 O16 P16 -","8","1","","Blumenberg, Jonas; Kampert, Florian; Hepp, Alexander; Hahn, F. Ekkehardt","Synthesis of IrIII Hydrido Complexes by Oxidative Addition of Halogenated Theophylline and Adenine Derivatives","ACS Omega","2020","","","","","10.1021/acsomega.0c02290","","","0.71073","MoKα","","0.0431","0.0356","","","0.0985","0.1044","","","","","","1.02","","","","has coordinates,has disorder","253572","2020-10-21","18:00:00",""
"4517819","14.2092","0.0008","11.5302","0.0014","28.4666","0.0015","90","","92.113","0.004","90","","4660.7","0.7","100","2","100","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C49 H51 Cl Fe I Ir N4 O4 P2 -","- C49 H51 Cl Fe I Ir N4 O4 P2 -","- C196 H204 Cl4 Fe4 I4 Ir4 N16 O16 P8 -","4","1","","Blumenberg, Jonas; Kampert, Florian; Hepp, Alexander; Hahn, F. Ekkehardt","Synthesis of IrIII Hydrido Complexes by Oxidative Addition of Halogenated Theophylline and Adenine Derivatives","ACS Omega","2020","","","","","10.1021/acsomega.0c02290","","","0.71073","MoKα","","0.0349","0.0259","","","0.0523","0.0551","","","","","","1.043","","","","has coordinates","253573","2020-10-21","18:00:00",""
"4517833","7.8459","0.0009","9.8098","0.0012","11.0823","0.0012","90","","101.069","0.003","90","","837.1","0.17","299","2","299.05","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C15 H21 I N2 O2 -","- C15 H21 I N2 O2 -","- C30 H42 I2 N4 O4 -","2","1","","Chadeayne, Andrew R.; Pham, Duyen N. K.; Reid, Brian G.; Golen, James A.; Manke, David R.","Active Metabolite of Aeruginascin (4-Hydroxy-<i>N</i>,<i>N</i>,<i>N</i>-trimethyltryptamine): Synthesis, Structure, and Serotonergic Binding Affinity.","ACS omega","2020","5","27","16940","16943","10.1021/acsomega.0c02208","","","0.71073","MoKα","","0.0396","0.03","","","0.0548","0.0583","","","","","","1.064","","","","has coordinates","301843","2025-08-21","01:59:38",""
"4517834","11.3057","0.0009","11.237","0.001","12.7785","0.001","90","","113.087","0.002","90","","1493.4","0.2","200","","200","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H19 I N2 O -","- C13 H19 I N2 O -","- C52 H76 I4 N8 O4 -","4","1","","Chadeayne, Andrew R.; Pham, Duyen N. K.; Reid, Brian G.; Golen, James A.; Manke, David R.","Active Metabolite of Aeruginascin (4-Hydroxy-<i>N</i>,<i>N</i>,<i>N</i>-trimethyltryptamine): Synthesis, Structure, and Serotonergic Binding Affinity.","ACS omega","2020","5","27","16940","16943","10.1021/acsomega.0c02208","","","0.71073","MoKα","","0.0574","0.0368","","","0.0797","0.0885","","","","","","1.073","","","","has coordinates","301843","2025-08-21","01:59:38",""
"4517837","15.342","0.007","6.244","0.006","10.989","0.007","90","","100.86","0.01","90","","1033.8","1.3","298","","298","","","","101.325","","","","","2","C 1 2/c 1","-C 2yc","15","","Zinc Hydroxide Dihydrate","","- O12 Zn5 -","- H14 O12 Zn5 -","- H56 O48 Zn20 -","4","0.5","","Gordeeva, Alisa; Hsu, Ying-Jui; Jenei, Istvan Z.; Brant Carvalho, Paulo H. B.; Simak, Sergei I.; Andersson, Ove; Häussermann, Ulrich","Layered Zinc Hydroxide Dihydrate, Zn<sub>5</sub>(OH)<sub>10</sub>·2H<sub>2</sub>O, from Hydrothermal Conversion of ε-Zn(OH)<sub>2</sub> at Gigapascal Pressures and its Transformation to Nanocrystalline ZnO.","ACS omega","2020","5","28","17617","17627","10.1021/acsomega.0c02075","powder diffraction","x-ray","1.54056","CuKα~1~","","","","","","","","","0.030127","3.2013","","","","","","","has coordinates","254766","2020-10-21","18:00:00",""
"4517840","7.6102","0.001","5.5255","0.0006","14.639","0.002","90","","90","","90","","615.57","0.13","100.01","0.1","100.01","0.1","","","","","","","","3","P n a 21","P 2c -2n","33","","Indole","","- C8 H7 N -","- C8 H7 N -","- C32 H28 N4 -","4","1","","Pisarek, Joanna; Malinska, Maura","Structure and Morphology of Indole Analogue Crystals.","ACS omega","2020","5","28","17141","17151","10.1021/acsomega.0c01020","","x-ray","0.71073","MoKα","","0.0561","0.0494","","","0.1208","0.1272","","","","","","1.107","","","","has coordinates,has disorder","301843","2025-08-21","01:59:38",""
"4517841","9.3176","0.0007","5.2878","0.0004","14.2479","0.0013","90","","90","","90","","701.99","0.1","100","0.1","100","0.1","","","","","","","","3","P n a 21","P 2c -2n","33","","7-Methylindole","","- C9 H9 N -","- C9 H9 N -","- C36 H36 N4 -","4","1","","Pisarek, Joanna; Malinska, Maura","Structure and Morphology of Indole Analogue Crystals.","ACS omega","2020","5","28","17141","17151","10.1021/acsomega.0c01020","","x-ray","0.71073","MoKα","","0.0566","0.0389","","","0.0784","0.089","","","","","","1.074","","","","has coordinates,has disorder","301843","2025-08-21","01:59:38",""
"4517842","8.6942","0.0006","5.3788","0.0004","31.905","0.002","90","","95.078","0.006","90","","1486.16","0.18","100.01","0.1","100.01","0.1","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","1H-indole-2-methanol","","- C9 H9 N O -","- C9 H9 N O -","- C72 H72 N8 O8 -","8","2","","Pisarek, Joanna; Malinska, Maura","Structure and Morphology of Indole Analogue Crystals.","ACS omega","2020","5","28","17141","17151","10.1021/acsomega.0c01020","","x-ray","1.54184","CuKα","","0.0923","0.0556","","","0.1307","0.1569","","","","","","1.027","","","","has coordinates,has disorder","255799","2020-10-21","18:00:00",""
"4517843","17.5632","0.0013","15.4812","0.0011","8.2466","0.0005","90","","90","","90","","2242.2","0.3","100.01","0.1","100.01","0.1","","","","","","","","4","P c a 21","P 2c -2ac","29","","Indole-3-carbinol","","- C9 H9 N O -","- C9 H9 N O -","- C108 H108 N12 O12 -","12","3","","Pisarek, Joanna; Malinska, Maura","Structure and Morphology of Indole Analogue Crystals.","ACS omega","2020","5","28","17141","17151","10.1021/acsomega.0c01020","","x-ray","0.71073","MoKα","","0.0991","0.0639","","","0.144","0.168","","","","","","1.0376","","","","has coordinates","301843","2025-08-21","01:59:38",""
"4517844","3.87758","0.00014","7.6453","0.0003","23.7995","0.0009","90","","90","","90","","705.54","0.05","100","0.1","100","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C9 H6 N2 -","- C9 H6 N2 -","- C36 H24 N8 -","4","1","","Pisarek, Joanna; Malinska, Maura","Structure and Morphology of Indole Analogue Crystals.","ACS omega","2020","5","28","17141","17151","10.1021/acsomega.0c01020","","x-ray","1.54184","CuKα","","0.0353","0.0326","","","0.0768","0.0789","","","","","","1.11","","","","has coordinates","301843","2025-08-21","01:59:38",""
"4517845","3.75839","0.00009","12.0667","0.0003","15.8045","0.0004","90","","90.73","0.002","90","","716.7","0.03","100","0.1","100","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","5-Nitroindole","","- C8 H6 N2 O2 -","- C8 H6 N2 O2 -","- C32 H24 N8 O8 -","4","1","","Pisarek, Joanna; Malinska, Maura","Structure and Morphology of Indole Analogue Crystals.","ACS omega","2020","5","28","17141","17151","10.1021/acsomega.0c01020","","x-ray","0.71073","MoKα","","0.0422","0.038","","","0.1058","0.1098","","","","","","1.044","","","","has coordinates","301843","2025-08-21","01:59:38",""
"4517846","8.452","0.0003","10.5415","0.0004","7.3742","0.0003","90","","90","","90","","657.02","0.04","100","2","100","0.01","","","","","","","","3","P n a 21","P 2c -2n","33","","5-aminoindole","","- C8 H8 N2 -","- C8 H8 N2 -","- C32 H32 N8 -","4","1","","Pisarek, Joanna; Malinska, Maura","Structure and Morphology of Indole Analogue Crystals.","ACS omega","2020","5","28","17141","17151","10.1021/acsomega.0c01020","","x-ray","0.71073","MoKα","","0.036","0.034","","","0.089","0.0911","","","","","","1.043","","","","has coordinates","301843","2025-08-21","01:59:38",""
"4517847","4.163","0.007","14.96","0.02","19.62","0.03","90","","90","","90","","1222","3","293","2","293.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(Z)-1-(1,5-dimethyl-1H-pyrazol-3-yl)-3-hydroxy-3-(thiophen-2-yl)prop-2-en-1-one","","- C12 H12 N2 O2 S -","- C12 H13 N2 O2 S -","- C48 H52 N8 O8 S4 -","4","1","","Tighadouini, Said; Radi, Smaail; El Massaoudi, Mohamed; Lakbaibi, Zouhair; Ferbinteanu, Marilena; Garcia, Yann","Efficient and Environmentally Friendly Adsorbent Based on β-Ketoenol-Pyrazole-Thiophene for Heavy-Metal Ion Removal from Aquatic Medium: A Combined Experimental and Theoretical Study.","ACS omega","2020","5","28","17324","17336","10.1021/acsomega.0c01616","","x-ray","0.71075","MoKα","","0.369","0.1786","","","0.4108","0.5506","","","","","","1.0011","","","","has coordinates","254765","2020-10-21","18:00:00",""
"4517855","6.3075","0.0003","19.6917","0.0011","12.4837","0.0007","90","","90","","90","","1550.54","0.14","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C19 H16 N2 O4 -","- C19 H16 N2 O4 -","- C76 H64 N8 O16 -","4","1","","Saha, Urmila; Das, Bhriguram; Dolai, Malay; Butcher, Ray J.; Suresh Kumar, Gopinatha","Adaptable DNA-Interactive Probe Proficient at Selective Turn-On Sensing for Al3+: Insight from the Crystal Structure, Photophysical Studies, and Molecular Logic Gate","ACS Omega","2020","5","29","18411","18423","10.1021/acsomega.0c02226","","","0.71073","MoKα","","0.0665","0.0552","","","0.127","0.1335","","","","","","1.049","","","","has coordinates","301843","2025-08-21","01:59:38",""
"4517863","19.127","0.005","8.086","0.002","11.449","0.003","90","","102.525","0.004","90","","1728.6","0.8","296.15","","296.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C34 H44 N2 Si4 -","- C34 H44 N2 Si4 -","- C68 H88 N4 Si8 -","2","0.5","","Feng, Siyang; Zhou, Zhikuan; Xiang, Xiaoshuang; Feng, Hongjie; Qu, Zhirong; Lu, Hua","Oligosilanyl-Bridged Biscarbazoles: Structure, Synthesis, and Spectroscopic Properties","ACS Omega","2020","","","","","10.1021/acsomega.0c02559","","","0.71073","MoKα","","0.056","0.039","","","0.1058","0.1189","","","","","","1.023","","","","has coordinates","301843","2025-08-21","01:59:38",""
"4517864","12.2428","0.0012","13.0239","0.0012","15.2844","0.0015","68.417","0.002","84.32","0.002","63.486","0.002","2021.6","0.3","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H32 N2 Si2 -","- C30 H32 N2 Si2 -","- C90 H96 N6 Si6 -","3","1.5","","Feng, Siyang; Zhou, Zhikuan; Xiang, Xiaoshuang; Feng, Hongjie; Qu, Zhirong; Lu, Hua","Oligosilanyl-Bridged Biscarbazoles: Structure, Synthesis, and Spectroscopic Properties","ACS Omega","2020","","","","","10.1021/acsomega.0c02559","","","0.71073","MoKα","","0.0927","0.054","","","0.1291","0.1511","","","","","","1.02","","","","has coordinates","301843","2025-08-21","01:59:38",""
"4517865","12.2392","0.0012","12.9941","0.0013","16.2298","0.0017","67.242","0.002","89.579","0.002","77.246","0.002","2312.7","0.4","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H26 N2 Si -","- C28 H26 N2 Si -","- C112 H104 N8 Si4 -","4","2","","Feng, Siyang; Zhou, Zhikuan; Xiang, Xiaoshuang; Feng, Hongjie; Qu, Zhirong; Lu, Hua","Oligosilanyl-Bridged Biscarbazoles: Structure, Synthesis, and Spectroscopic Properties","ACS Omega","2020","","","","","10.1021/acsomega.0c02559","","","0.71073","MoKα","","0.0859","0.0497","","","0.1194","0.1387","","","","","","1.027","","","","has coordinates","301843","2025-08-21","01:59:38",""
"4517868","12.7623","0.00006","28.938","0.00009","5.3229","0.00004","90","","90","","90","","1965.83","0.018","100","","100","","","","","","","","synthesised","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H33 N O3 -","- C21 H33 N O3 -","- C84 H132 N4 O12 -","4","1","","Chen, Jun; Boott, Charlotte E.; Lewis, Lev; Siu, Andrew; Al-Debasi, Renad; Carta, Veronica; Fogh, Amanda A.; Kurek, Daniel Z.; Wang, Lilo; MacLachlan, Mark J.; Hum, Gabriel","Amino Acid-Containing Phase-Selective Organogelators: A Water-Based Delivery System for Oil Spill Treatment","ACS Omega","2020","","","","","10.1021/acsomega.0c01821","","","0.71073","MoKα","","0.1168","0.1096","","0.2805","0.2774","0.2687","","","","","","1.0336","","","","has coordinates","301843","2025-08-21","01:59:38",""
"4517869","8.697","0.005","4.949","0.003","23.171","0.012","90","","94.349","0.014","90","","994.4","1","100","","100","","","","","","","","synthesised","4","P 1 21 1","P 2yb","4","","","","- C21 H34 N2 O2 -","- C21 H34 N2 O2 -","- C42 H68 N4 O4 -","2","1","","Chen, Jun; Boott, Charlotte E.; Lewis, Lev; Siu, Andrew; Al-Debasi, Renad; Carta, Veronica; Fogh, Amanda A.; Kurek, Daniel Z.; Wang, Lilo; MacLachlan, Mark J.; Hum, Gabriel","Amino Acid-Containing Phase-Selective Organogelators: A Water-Based Delivery System for Oil Spill Treatment","ACS Omega","2020","","","","","10.1021/acsomega.0c01821","","","0.71073","MoKα","","0.0467","0.0363","","0.0918","0.0841","0.0918","","","","","","0.9748","","","","has coordinates","301843","2025-08-21","01:59:38",""
"4517871","13.2032","0.0001","17.7108","0.0001","13.3568","0.0001","90","","104.055","0.001","90","","3029.84","0.04","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H44 N2 O Rb2 -","- C30 H44 N2 O Rb2 -","- C120 H176 N8 O4 Rb8 -","4","1","","Duraisamy, Ramesh; Liebing, Phil; Harmgarth, Nicole; Lorenz, Volker; Hilfert, Liane; Feneberg, Martin; Goldhahn, Rüdiger; Engelhardt, Felix; Edelmann, Frank T.","Rubidium and Cesium Enediamide Complexes Derived from Bulky 1,4-Diazadienes","ACS Omega","2020","","","","","10.1021/acsomega.0c02414","","","1.54184","CuKα","","0.0247","0.0234","","","0.0589","0.0599","","","","","","1.027","","","","has coordinates","254555","2020-10-21","18:00:00",""
"4517872","11.0782","0.0007","13.4018","0.0008","13.8529","0.0008","64.885","0.004","85.879","0.005","69.433","0.005","1736.3","0.2","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H51 Cs2 N2 O3 -","- C32 H51 Cs2 N2 O3 -","- C64 H102 Cs4 N4 O6 -","2","1","","Duraisamy, Ramesh; Liebing, Phil; Harmgarth, Nicole; Lorenz, Volker; Hilfert, Liane; Feneberg, Martin; Goldhahn, Rüdiger; Engelhardt, Felix; Edelmann, Frank T.","Rubidium and Cesium Enediamide Complexes Derived from Bulky 1,4-Diazadienes","ACS Omega","2020","","","","","10.1021/acsomega.0c02414","","","0.71073","MoKα","","0.0351","0.0251","","","0.0546","0.0572","","","","","","0.99","","","","has coordinates,has disorder","254555","2020-10-21","18:00:00",""
"4517873","36.5255","0.0007","12.5779","0.0002","21.3866","0.0005","90","","105.589","0.002","90","","9463.9","0.3","133","2","133","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C92 H152 N4 O9 Rb4 -","- C92 H152 N4 O9 Rb4 -","- C368 H608 N16 O36 Rb16 -","4","1","","Duraisamy, Ramesh; Liebing, Phil; Harmgarth, Nicole; Lorenz, Volker; Hilfert, Liane; Feneberg, Martin; Goldhahn, Rüdiger; Engelhardt, Felix; Edelmann, Frank T.","Rubidium and Cesium Enediamide Complexes Derived from Bulky 1,4-Diazadienes","ACS Omega","2020","","","","","10.1021/acsomega.0c02414","","","0.71073","MoKα","","0.0825","0.0517","","","0.106","0.1186","","","","","","1.036","","","","has coordinates,has disorder","254555","2020-10-21","18:00:00",""
"4517874","39.16","0.02","12.227","0.004","21.282","0.007","90","","104.4","0.04","90","","9870","7","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C48 H80 Cs2 N2 O5 -","- C48 H80 Cs2 N2 O5 -","- C384 H640 Cs16 N16 O40 -","8","1","","Duraisamy, Ramesh; Liebing, Phil; Harmgarth, Nicole; Lorenz, Volker; Hilfert, Liane; Feneberg, Martin; Goldhahn, Rüdiger; Engelhardt, Felix; Edelmann, Frank T.","Rubidium and Cesium Enediamide Complexes Derived from Bulky 1,4-Diazadienes","ACS Omega","2020","","","","","10.1021/acsomega.0c02414","","","0.71073","MoKα","","0.076","0.0624","","","0.1321","0.1378","","","","","","1.211","","","","has coordinates,has disorder","254555","2020-10-21","18:00:00",""
"4517888","8.1746","0.0005","11.1625","0.0007","13.359","0.0009","106.939","0.003","98.293","0.003","96.435","0.003","1138.52","0.13","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H30 N12 O8 -","- C13 H30 N12 O8 -","- C26 H60 N24 O16 -","2","1","","Cai, He; Zhang, Xingwang; Lei, Lecheng; Xiao, Chengliang","Direct CO<sub>2</sub> Capture from Air via Crystallization with a Trichelating Iminoguanidine Ligand.","ACS omega","2020","5","32","20428","20437","10.1021/acsomega.0c02460","","","0.71073","MoKα","","0.1287","0.0662","","","0.1546","0.1852","","","","","","1.008","","","","has coordinates,has disorder","301843","2025-08-21","01:59:38",""
"4517892","10.7289","0.0005","11.1254","0.0005","25.2451","0.0012","90","","91.502","0.001","90","","3012.3","0.2","293","","293","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C35 H34 N2 O7 -","- C35 H34 N2 O7 -","- C140 H136 N8 O28 -","4","1","","Nariyangadu, Sesha Bamini; Choedak, Tenzin; Malar, Ezekiel Joy Padma; Chen, Junsheng; Thyrhaug, Erling; Kumar, Pushpendra; Zhou, Jinming; Yechuri, Vidyalakshmi; Pal, Suman Kalyan; Lidin, Sven; Thangadhorai, Kejalakshmy Namassivayane; Karki, Khadga J.; Pullerits, Tönu","New Nonlinear Optical Crystal of Rhodamine 590 Acid Phthalate.","ACS omega","2020","5","33","20863","20873","10.1021/acsomega.0c02303","","x-ray","0.71073","MoKα","","0.1064","0.0537","","","0.1413","0.159","","","","2.4","2.4","1.92","","","","has coordinates","255862","2020-10-21","18:00:00",""
"4517896","7.9811","0.0003","10.8039","0.0004","11.8435","0.0004","68.2887","0.0018","81.0025","0.0019","65.8247","0.0016","865.56","0.06","173","","173","","","","","","","","","4","P -1","-P 1","2","","","","- C20 H16 N4 O4 -","- C20 H16 N4 O4 -","- C40 H32 N8 O8 -","2","1","","Oka, Yoshimi","Cesium Cation Complexation by a Flavin Receptor via Self-Assembly and Deprotonation.","ACS omega","2020","5","33","21226","21230","10.1021/acsomega.0c03006","","","1.54187","CuKα","","","0.0471","","","","0.1325","","","","","","0.981","","","","has coordinates","301843","2025-08-21","01:59:38",""
"4517897","10.1941","0.0014","15.966","0.002","12.8443","0.0018","90","","103.751","0.006","90","","2030.6","0.5","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C42 H50 N6 Ni2 O10 -","- C42 H50 N6 Ni2 O10 -","- C84 H100 N12 Ni4 O20 -","2","0.5","","Kumar, Sandeep; Khullar, Sadhika; Mandal, Sanjay K.","Steric Effect of a Capping Ligand on the Formation of Supramolecular Coordination Networks of Ni(II): Solid-State Entrapment of Cyclic Water Dimer","ACS Omega","2020","5","34","21873","21882","10.1021/acsomega.0c03065","","","0.71073","MoKα","","0.1655","0.0609","","","0.1024","0.1359","","","","","","0.982","","","","has coordinates","301843","2025-08-21","01:59:38",""
"4517898","10.2641","0.0008","16.8498","0.0013","13.0024","0.001","90","","98.545","0.003","90","","2223.8","0.3","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H29 N3 Ni O6 -","- C22 H29 N3 Ni O6 -","- C88 H116 N12 Ni4 O24 -","4","1","","Kumar, Sandeep; Khullar, Sadhika; Mandal, Sanjay K.","Steric Effect of a Capping Ligand on the Formation of Supramolecular Coordination Networks of Ni(II): Solid-State Entrapment of Cyclic Water Dimer","ACS Omega","2020","5","34","21873","21882","10.1021/acsomega.0c03065","","","0.71073","MoKα","","0.0292","0.0249","","","0.0618","0.0641","","","","","","1.048","","","","has coordinates","257072","2020-10-21","18:00:00",""
"4517899","12.813","0.004","5.8882","0.0014","6.7088","0.0013","90","","118.25","0.02","90","","445.9","0.2","293","","293","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C2 H2 O6 Zr -","- C2 H2 O6 Zr -","- C8 H8 O24 Zr4 -","4","0.5","","Thomas, Rudy; Devaux, Philippe; Rivenet, Murielle; Henry, Natacha; Abraham, Francis","Zirconium Oxalates: Zr(OH)<sub>2</sub>(C<sub>2</sub>O<sub>4</sub>), (H<sub>11</sub>O<sub>5</sub>)<sub>2</sub>[Zr<sub>2</sub>(C<sub>2</sub>O<sub>4</sub>)<sub>5</sub>(H<sub>2</sub>O)<sub>4</sub>], and MM'[Zr(C<sub>2</sub>O<sub>4</sub>)<sub>3</sub>]·<i>x</i>H<sub>2</sub>O with M and M' = Ammonium, Alkali Metal, and Hydroxonium Ion H<sub>2<i>n</i>+1</sub>O <sub> <i>n</i> </sub><sup>+</sup> (<i>n</i> = 2, 3, 4).","ACS omega","2020","5","33","21260","21270","10.1021/acsomega.0c03224","powder diffraction","x-ray","1.5418","CuKα","","0.0417","0.0417","","0.06","0.06","","","","4.45","","","","","","","has coordinates","255860","2020-10-21","18:00:00",""
"4517900","6.9269","0.0003","10.4427","0.0006","10.6447","0.0006","78.421","0.002","86.155","0.002","89.945","0.002","752.56","0.07","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C10 H30 O34 Zr2 -","- C10 H30 O34 Zr2 -","- C10 H30 O34 Zr2 -","1","0.5","","Thomas, Rudy; Devaux, Philippe; Rivenet, Murielle; Henry, Natacha; Abraham, Francis","Zirconium Oxalates: Zr(OH)<sub>2</sub>(C<sub>2</sub>O<sub>4</sub>), (H<sub>11</sub>O<sub>5</sub>)<sub>2</sub>[Zr<sub>2</sub>(C<sub>2</sub>O<sub>4</sub>)<sub>5</sub>(H<sub>2</sub>O)<sub>4</sub>], and MM'[Zr(C<sub>2</sub>O<sub>4</sub>)<sub>3</sub>]·<i>x</i>H<sub>2</sub>O with M and M' = Ammonium, Alkali Metal, and Hydroxonium Ion H<sub>2<i>n</i>+1</sub>O <sub> <i>n</i> </sub><sup>+</sup> (<i>n</i> = 2, 3, 4).","ACS omega","2020","5","33","21260","21270","10.1021/acsomega.0c03224","","","0.71073","MoKα","","0.0378","0.0282","","","0.0529","0.0566","","","","","","1.045","","","","has coordinates","301843","2025-08-21","01:59:38",""
"4517901","13.8646","0.0009","10.4241","0.0006","8.929","0.0005","90","","95.743","0.003","90","","1284","0.13","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C6 H4 Na2 O14 Zr -","- C6 H4 Na2 O14 Zr -","- C24 H16 Na8 O56 Zr4 -","4","0.5","","Thomas, Rudy; Devaux, Philippe; Rivenet, Murielle; Henry, Natacha; Abraham, Francis","Zirconium Oxalates: Zr(OH)<sub>2</sub>(C<sub>2</sub>O<sub>4</sub>), (H<sub>11</sub>O<sub>5</sub>)<sub>2</sub>[Zr<sub>2</sub>(C<sub>2</sub>O<sub>4</sub>)<sub>5</sub>(H<sub>2</sub>O)<sub>4</sub>], and MM'[Zr(C<sub>2</sub>O<sub>4</sub>)<sub>3</sub>]·<i>x</i>H<sub>2</sub>O with M and M' = Ammonium, Alkali Metal, and Hydroxonium Ion H<sub>2<i>n</i>+1</sub>O <sub> <i>n</i> </sub><sup>+</sup> (<i>n</i> = 2, 3, 4).","ACS omega","2020","5","33","21260","21270","10.1021/acsomega.0c03224","","","0.71073","MoKα","","0.0368","0.0286","","","0.0534","0.0572","","","","","","1.068","","","","has coordinates","255860","2020-10-21","18:00:00",""
"4517902","9.2166","0.0009","11.169","0.001","14.094","0.0015","90","","107.718","0.005","90","","1382","0.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H9 K O16 Zr -","- C6 H9 K O16 Zr -","- C24 H36 K4 O64 Zr4 -","4","1","","Thomas, Rudy; Devaux, Philippe; Rivenet, Murielle; Henry, Natacha; Abraham, Francis","Zirconium Oxalates: Zr(OH)<sub>2</sub>(C<sub>2</sub>O<sub>4</sub>), (H<sub>11</sub>O<sub>5</sub>)<sub>2</sub>[Zr<sub>2</sub>(C<sub>2</sub>O<sub>4</sub>)<sub>5</sub>(H<sub>2</sub>O)<sub>4</sub>], and MM'[Zr(C<sub>2</sub>O<sub>4</sub>)<sub>3</sub>]·<i>x</i>H<sub>2</sub>O with M and M' = Ammonium, Alkali Metal, and Hydroxonium Ion H<sub>2<i>n</i>+1</sub>O <sub> <i>n</i> </sub><sup>+</sup> (<i>n</i> = 2, 3, 4).","ACS omega","2020","5","33","21260","21270","10.1021/acsomega.0c03224","","","0.71073","MoKα","","0.0422","0.0291","","","0.0593","0.064","","","","","","1.06","","","","has coordinates","255860","2020-10-21","18:00:00",""
"4517903","9.3411","0.0007","11.1701","0.0008","14.2537","0.0009","90","","107.699","0.002","90","","1416.85","0.17","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H13 N O16 Zr -","- C6 H13 N O16 Zr -","- C24 H52 N4 O64 Zr4 -","4","1","","Thomas, Rudy; Devaux, Philippe; Rivenet, Murielle; Henry, Natacha; Abraham, Francis","Zirconium Oxalates: Zr(OH)<sub>2</sub>(C<sub>2</sub>O<sub>4</sub>), (H<sub>11</sub>O<sub>5</sub>)<sub>2</sub>[Zr<sub>2</sub>(C<sub>2</sub>O<sub>4</sub>)<sub>5</sub>(H<sub>2</sub>O)<sub>4</sub>], and MM'[Zr(C<sub>2</sub>O<sub>4</sub>)<sub>3</sub>]·<i>x</i>H<sub>2</sub>O with M and M' = Ammonium, Alkali Metal, and Hydroxonium Ion H<sub>2<i>n</i>+1</sub>O <sub> <i>n</i> </sub><sup>+</sup> (<i>n</i> = 2, 3, 4).","ACS omega","2020","5","33","21260","21270","10.1021/acsomega.0c03224","","","0.71073","MoKα","","0.034","0.0248","","","0.0583","0.0624","","","","","","1.043","","","","has coordinates","255860","2020-10-21","18:00:00",""
"4517904","7.7027","0.0005","8.9788","0.0006","10.6518","0.0007","79.179","0.003","72.476","0.004","76.975","0.003","678.7","0.08","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C6 H7 O15 Rb Zr -","- C6 H3 O15 Rb Zr -","- C12 H6 O30 Rb2 Zr2 -","2","1","","Thomas, Rudy; Devaux, Philippe; Rivenet, Murielle; Henry, Natacha; Abraham, Francis","Zirconium Oxalates: Zr(OH)<sub>2</sub>(C<sub>2</sub>O<sub>4</sub>), (H<sub>11</sub>O<sub>5</sub>)<sub>2</sub>[Zr<sub>2</sub>(C<sub>2</sub>O<sub>4</sub>)<sub>5</sub>(H<sub>2</sub>O)<sub>4</sub>], and MM'[Zr(C<sub>2</sub>O<sub>4</sub>)<sub>3</sub>]·<i>x</i>H<sub>2</sub>O with M and M' = Ammonium, Alkali Metal, and Hydroxonium Ion H<sub>2<i>n</i>+1</sub>O <sub> <i>n</i> </sub><sup>+</sup> (<i>n</i> = 2, 3, 4).","ACS omega","2020","5","33","21260","21270","10.1021/acsomega.0c03224","","","0.71073","MoKα","","0.0524","0.0367","","","0.09","0.0986","","","","","","1.026","","","","has coordinates","255860","2020-10-21","18:00:00",""
"4517905","7.7318","0.0004","9.1847","0.0005","10.6352","0.0005","78.861","0.002","72.333","0.002","77.713","0.002","696.41","0.06","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C6 H7 Cs O15 Zr -","- C6 H3 Cs O15 Zr -","- C12 H6 Cs2 O30 Zr2 -","2","1","","Thomas, Rudy; Devaux, Philippe; Rivenet, Murielle; Henry, Natacha; Abraham, Francis","Zirconium Oxalates: Zr(OH)<sub>2</sub>(C<sub>2</sub>O<sub>4</sub>), (H<sub>11</sub>O<sub>5</sub>)<sub>2</sub>[Zr<sub>2</sub>(C<sub>2</sub>O<sub>4</sub>)<sub>5</sub>(H<sub>2</sub>O)<sub>4</sub>], and MM'[Zr(C<sub>2</sub>O<sub>4</sub>)<sub>3</sub>]·<i>x</i>H<sub>2</sub>O with M and M' = Ammonium, Alkali Metal, and Hydroxonium Ion H<sub>2<i>n</i>+1</sub>O <sub> <i>n</i> </sub><sup>+</sup> (<i>n</i> = 2, 3, 4).","ACS omega","2020","5","33","21260","21270","10.1021/acsomega.0c03224","","","0.71073","MoKα","","0.0486","0.0377","","","0.0949","0.102","","","","","","0.973","","","","has coordinates","255860","2020-10-21","18:00:00",""
"4517958","7.213","0.002","9.427","0.002","13.291","0.005","73.712","0.006","82.58","0.007","86.521","0.01","859.9","0.4","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H16 F3 N O4 -","- C19 H16 F3 N O4 -","- C38 H32 F6 N2 O8 -","2","1","","Adamovskyi, Mykhailo I.; Avramenko, Mykola M.; Volochnyuk, Dmitriy M.; Ryabukhin, Sergey V.","Fluoral Hydrate: A Perspective Substrate for the Castagnoli-Cushman Reaction.","ACS omega","2020","5","33","20932","20942","10.1021/acsomega.0c02394","","","0.71073","MoKα","","0.0821","0.0462","","","0.0893","0.102","","","","","","1.063","","","","has coordinates","301843","2025-08-21","01:59:38",""
"4517959","10.547","0.003","9.089","0.002","10.569","0.003","90","","117.789","0.008","90","","896.3","0.4","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H18 F3 N O4 -","- C20 H18 F3 N O4 -","- C40 H36 F6 N2 O8 -","2","1","","Adamovskyi, Mykhailo I.; Avramenko, Mykola M.; Volochnyuk, Dmitriy M.; Ryabukhin, Sergey V.","Fluoral Hydrate: A Perspective Substrate for the Castagnoli-Cushman Reaction.","ACS omega","2020","5","33","20932","20942","10.1021/acsomega.0c02394","","","0.71073","MoKα","","0.0816","0.0474","","","0.0793","0.0907","","","","","","0.987","","","","has coordinates","301843","2025-08-21","01:59:38",""
"4517962","14.7578","0.0005","13.4002","0.0005","25.2603","0.0009","90","","90","","90","","4995.4","0.3","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C25 H31 Br2 N3 Pd -","- C25 H31 Br2 N3 Pd -","- C200 H248 Br16 N24 Pd8 -","8","1","","Mansour, Waseem; Suleiman, Rami; Fettouhi, Mohammed; El Ali, Bassam","Soft Heteroleptic N-Heterocyclic Carbene Palladium(II) Species for Efficient Catalytic Routes to Alkynones via Carbonylative Sonogashira Coupling","ACS Omega","2020","","","","","10.1021/acsomega.0c02413","","","0.71073","MoKα","","0.0551","0.03","","","0.0632","0.0748","","","","","","1.046","","","","has coordinates","255424","2020-10-21","18:00:00",""
"4517963","7.0473","0.0011","9.0925","0.0016","10.9446","0.0019","95.726","0.006","103.104","0.005","101.05","0.005","662.8","0.2","298","2","298","2","","","","","","","","3","P -1","-P 1","2","","","","- C17 H20 N2 -","- C17 H20 N2 -","- C34 H40 N4 -","2","1","","Mansour, Waseem; Suleiman, Rami; Fettouhi, Mohammed; El Ali, Bassam","Soft Heteroleptic N-Heterocyclic Carbene Palladium(II) Species for Efficient Catalytic Routes to Alkynones via Carbonylative Sonogashira Coupling","ACS Omega","2020","","","","","10.1021/acsomega.0c02413","","","0.71073","MoKα","","0.0928","0.0576","","","0.1398","0.1603","","","","","","1.06","","","","has coordinates","301843","2025-08-21","01:59:38",""
"4517964","14.9361","0.0011","11.3341","0.0009","20.2385","0.0016","90","","100.857","0.002","90","","3364.8","0.5","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C17 H21 Br N2 O -","- C17 H21 Br N2 O -","- C136 H168 Br8 N16 O8 -","8","1","","Mansour, Waseem; Suleiman, Rami; Fettouhi, Mohammed; El Ali, Bassam","Soft Heteroleptic N-Heterocyclic Carbene Palladium(II) Species for Efficient Catalytic Routes to Alkynones via Carbonylative Sonogashira Coupling","ACS Omega","2020","","","","","10.1021/acsomega.0c02413","","","0.71073","MoKα","","0.0877","0.0562","","","0.1522","0.1706","","","","","","1.061","","","","has coordinates","301843","2025-08-21","01:59:38",""
"4517965","10.3429","0.0008","16.4241","0.0013","10.7998","0.0008","90","","104.481","0.002","90","","1776.3","0.2","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H27 Br N2 -","- C20 H27 Br N2 -","- C80 H108 Br4 N8 -","4","1","","Mansour, Waseem; Suleiman, Rami; Fettouhi, Mohammed; El Ali, Bassam","Soft Heteroleptic N-Heterocyclic Carbene Palladium(II) Species for Efficient Catalytic Routes to Alkynones via Carbonylative Sonogashira Coupling","ACS Omega","2020","","","","","10.1021/acsomega.0c02413","","","0.71073","MoKα","","0.1028","0.0492","","","0.0876","0.1046","","","","","","1.056","","","","has coordinates","301843","2025-08-21","01:59:38",""
"4517966","13.873","0.005","10.292","0.004","16.064","0.006","90","","96.63","0.011","90","","2278.3","1.5","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H23 Br2 N3 Pd -","- C22 H23 Br2 N3 Pd -","- C88 H92 Br8 N12 Pd4 -","4","1","","Mansour, Waseem; Suleiman, Rami; Fettouhi, Mohammed; El Ali, Bassam","Soft Heteroleptic N-Heterocyclic Carbene Palladium(II) Species for Efficient Catalytic Routes to Alkynones via Carbonylative Sonogashira Coupling","ACS Omega","2020","","","","","10.1021/acsomega.0c02413","","","0.71073","MoKα","","0.2969","0.1754","","","0.4189","0.5053","","","","","","1.058","","","","has coordinates","255428","2020-10-21","18:00:00",""
"4517968","11.1225","0.0001","15.3457","0.0002","28.5934","0.0003","90","","97.894","0.001","90","","4834.15","0.09","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H23 Cl2 N3 O2 -","- C27 H23 Cl2 N3 O2 -","- C216 H184 Cl16 N24 O16 -","8","2","","Lai, Xiangfeng; Che, Chao","Synthesis of Chromeno[4,3-b]pyrrol-4(1H)-ones through a Multicomponent Reaction and Cyclization Strategy","ACS Omega","2020","5","34","21968","21977","10.1021/acsomega.0c03589","","x-ray","1.54184","CuKα","","0.0493","0.0437","","","0.1148","0.1213","","","","","","1.021","","","","has coordinates,has disorder","301843","2025-08-21","01:59:38",""
"4517973","12.2427","0.0009","13.5652","0.001","17.6056","0.0012","90","","90","","90","","2923.8","0.4","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C16 H25 N O2 -","- C16 H25 N O2 -","- C128 H200 N8 O16 -","8","1","","Astaf’eva, Tatiana V.; Arsenyev, Maxim V.; Rumyantcev, Roman V.; Fukin, Georgy K.; Cherkasov, Vladimir K.; Poddel’sky, Andrey I.","Imine-Based Catechols and o-Benzoquinones: Synthesis, Structure, and Features of Redox Behavior","ACS Omega","2020","","","","","10.1021/acsomega.0c02277","","","0.71073","MoKα","","0.0632","0.047","","","0.1032","0.1094","","","","","","1.035","","","","has coordinates","301843","2025-08-21","01:59:38",""
"4517974","26.8597","0.0003","26.8597","0.0003","14.4115","0.0002","90","","90","","120","","9004.14","0.19","100","2","100","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C19 H31 N O2 -","- C19 H31 N O2 -","- C342 H558 N18 O36 -","18","1","","Astaf’eva, Tatiana V.; Arsenyev, Maxim V.; Rumyantcev, Roman V.; Fukin, Georgy K.; Cherkasov, Vladimir K.; Poddel’sky, Andrey I.","Imine-Based Catechols and o-Benzoquinones: Synthesis, Structure, and Features of Redox Behavior","ACS Omega","2020","","","","","10.1021/acsomega.0c02277","","","0.71073","MoKα","","0.0428","0.0366","","","0.0952","0.0985","","","","","","1.073","","","","has coordinates","301843","2025-08-21","01:59:38",""
"4517975","8.857","0.0012","9.1079","0.0012","13.0615","0.0017","77.457","0.002","89.145","0.002","63.858","0.002","919.4","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H27 N O2 -","- C21 H27 N O2 -","- C42 H54 N2 O4 -","2","1","","Astaf’eva, Tatiana V.; Arsenyev, Maxim V.; Rumyantcev, Roman V.; Fukin, Georgy K.; Cherkasov, Vladimir K.; Poddel’sky, Andrey I.","Imine-Based Catechols and o-Benzoquinones: Synthesis, Structure, and Features of Redox Behavior","ACS Omega","2020","","","","","10.1021/acsomega.0c02277","","","0.71073","MoKα","","0.0564","0.0437","","","0.1132","0.1188","","","","","","1.046","","","","has coordinates","301843","2025-08-21","01:59:38",""
"4517976","8.6116","0.0007","10.8216","0.0009","11.6061","0.0009","75.729","0.002","88.021","0.002","68.159","0.002","971","0.14","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H29 N O2 -","- C22 H29 N O2 -","- C44 H58 N2 O4 -","2","1","","Astaf’eva, Tatiana V.; Arsenyev, Maxim V.; Rumyantcev, Roman V.; Fukin, Georgy K.; Cherkasov, Vladimir K.; Poddel’sky, Andrey I.","Imine-Based Catechols and o-Benzoquinones: Synthesis, Structure, and Features of Redox Behavior","ACS Omega","2020","","","","","10.1021/acsomega.0c02277","","","0.71073","MoKα","","0.0549","0.0445","","","0.1216","0.1271","","","","","","1.056","","","","has coordinates","301843","2025-08-21","01:59:38",""
"4517977","10.612","0.0005","17.6733","0.0009","11.5549","0.0006","90","","115.593","0.0009","90","","1954.48","0.17","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H29 N O3 -","- C22 H29 N O3 -","- C88 H116 N4 O12 -","4","1","","Astaf’eva, Tatiana V.; Arsenyev, Maxim V.; Rumyantcev, Roman V.; Fukin, Georgy K.; Cherkasov, Vladimir K.; Poddel’sky, Andrey I.","Imine-Based Catechols and o-Benzoquinones: Synthesis, Structure, and Features of Redox Behavior","ACS Omega","2020","","","","","10.1021/acsomega.0c02277","","","0.71073","MoKα","","0.0495","0.0398","","","0.104","0.1092","","","","","","1.039","","","","has coordinates","255512","2020-10-21","18:00:00",""
"4517978","5.8795","0.0003","9.886","0.0005","17.5739","0.0009","103.003","0.002","90.612","0.002","101.395","0.002","974.04","0.09","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H26 N2 O4 -","- C21 H26 N2 O4 -","- C42 H52 N4 O8 -","2","1","","Astaf’eva, Tatiana V.; Arsenyev, Maxim V.; Rumyantcev, Roman V.; Fukin, Georgy K.; Cherkasov, Vladimir K.; Poddel’sky, Andrey I.","Imine-Based Catechols and o-Benzoquinones: Synthesis, Structure, and Features of Redox Behavior","ACS Omega","2020","","","","","10.1021/acsomega.0c02277","","","0.71073","MoKα","","0.0558","0.0427","","","0.1164","0.1253","","","","","","1.026","","","","has coordinates","301843","2025-08-21","01:59:38",""
"4517979","8.8839","0.0005","9.2186","0.0005","12.9607","0.0008","77.527","0.001","89.442","0.001","63.762","0.001","925.14","0.09","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H26 F N O2 -","- C21 H26 F N O2 -","- C42 H52 F2 N2 O4 -","2","1","","Astaf’eva, Tatiana V.; Arsenyev, Maxim V.; Rumyantcev, Roman V.; Fukin, Georgy K.; Cherkasov, Vladimir K.; Poddel’sky, Andrey I.","Imine-Based Catechols and o-Benzoquinones: Synthesis, Structure, and Features of Redox Behavior","ACS Omega","2020","","","","","10.1021/acsomega.0c02277","","","0.71073","MoKα","","0.0578","0.0456","","","0.1244","0.1335","","","","","","1.033","","","","has coordinates","301843","2025-08-21","01:59:38",""
"4517980","8.9789","0.0004","9.004","0.0004","13.8615","0.0006","73.5058","0.0009","87.9508","0.0009","63.4794","0.0008","956.04","0.07","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H26 Cl N O2 -","- C21 H26 Cl N O2 -","- C42 H52 Cl2 N2 O4 -","2","1","","Astaf’eva, Tatiana V.; Arsenyev, Maxim V.; Rumyantcev, Roman V.; Fukin, Georgy K.; Cherkasov, Vladimir K.; Poddel’sky, Andrey I.","Imine-Based Catechols and o-Benzoquinones: Synthesis, Structure, and Features of Redox Behavior","ACS Omega","2020","","","","","10.1021/acsomega.0c02277","","","0.71073","MoKα","","0.0348","0.0328","","","0.0927","0.0945","","","","","","1.03","","","","has coordinates","301843","2025-08-21","01:59:38",""
"4517981","8.374","0.002","16.994","0.003","14.253","0.003","90","","102.068","0.007","90","","1983.5","0.7","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H26 Br N O2 -","- C21 H26 Br N O2 -","- C84 H104 Br4 N4 O8 -","4","1","","Astaf’eva, Tatiana V.; Arsenyev, Maxim V.; Rumyantcev, Roman V.; Fukin, Georgy K.; Cherkasov, Vladimir K.; Poddel’sky, Andrey I.","Imine-Based Catechols and o-Benzoquinones: Synthesis, Structure, and Features of Redox Behavior","ACS Omega","2020","","","","","10.1021/acsomega.0c02277","","","0.71073","MoKα","","0.0375","0.0299","","","0.0734","0.0762","","","","","","1.043","","","","has coordinates","301843","2025-08-21","01:59:38",""
"4517982","9.2088","0.0006","10.4986","0.0006","12.2461","0.0007","92.3307","0.0012","109.11","0.0012","115.18","0.0011","989.72","0.1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H26 I N O2 -","- C21 H26 I N O2 -","- C42 H52 I2 N2 O4 -","2","1","","Astaf’eva, Tatiana V.; Arsenyev, Maxim V.; Rumyantcev, Roman V.; Fukin, Georgy K.; Cherkasov, Vladimir K.; Poddel’sky, Andrey I.","Imine-Based Catechols and o-Benzoquinones: Synthesis, Structure, and Features of Redox Behavior","ACS Omega","2020","","","","","10.1021/acsomega.0c02277","","","0.71073","MoKα","","0.0217","0.0203","","","0.0509","0.0516","","","","","","1.062","","","","has coordinates","301843","2025-08-21","01:59:38",""
"4518025","11.8617","0.0007","14.6759","0.0008","11.3999","0.0007","90","","96.235","0.005","90","","1972.8","0.2","173","","173","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C46 H46 O6 P2 -","- C46 H46 O6 P2 -","- C92 H92 O12 P4 -","2","0.5","","Katagiri, Kosuke; Ohara, Masahiro; Ikehara, Masahiro; Higashimura, Ikkei; Isono, Koshiro","Oxaphosphacyclophanes Constructed from a Bis(triphenylphosphine oxide) Moiety Linked by Dioxyalkyl Chains: Synthesis and Crystal Structures.","ACS omega","2020","5","37","23621","23630","10.1021/acsomega.0c02177","","x-ray","1.54184","CuKα","","0.1323","0.0608","","","0.1488","0.1905","","","","","","0.928","","","","has coordinates","301843","2025-08-21","01:59:38",""
"4518026","6.07681","0.00012","12.5823","0.0003","18.8446","0.0006","70.567","0.003","81.108","0.002","85.4235","0.0018","1341.83","0.06","173","","173","","","","","","","","","4","P -1","-P 1","2","","","","- C60 H74 O6 P2 -","- C60 H74 O6 P2 -","- C60 H74 O6 P2 -","1","0.5","","Katagiri, Kosuke; Ohara, Masahiro; Ikehara, Masahiro; Higashimura, Ikkei; Isono, Koshiro","Oxaphosphacyclophanes Constructed from a Bis(triphenylphosphine oxide) Moiety Linked by Dioxyalkyl Chains: Synthesis and Crystal Structures.","ACS omega","2020","5","37","23621","23630","10.1021/acsomega.0c02177","","x-ray","1.54184","CuKα","","0.0946","0.0675","","","0.1785","0.1921","","","","","","1.077","","","","has coordinates","301843","2025-08-21","01:59:38",""
"4518027","11.0373","0.0003","20.9634","0.0004","24.3544","0.0005","76.4018","0.0017","81.4278","0.0017","80.7315","0.0019","5369.2","0.2","173","","173","","","","","","","","","5","P -1","-P 1","2","","","","- C22 H20 Cl3 O3 P -","- C22 H20 Cl3 O3 P -","- C176 H160 Cl24 O24 P8 -","8","4","","Katagiri, Kosuke; Ohara, Masahiro; Ikehara, Masahiro; Higashimura, Ikkei; Isono, Koshiro","Oxaphosphacyclophanes Constructed from a Bis(triphenylphosphine oxide) Moiety Linked by Dioxyalkyl Chains: Synthesis and Crystal Structures.","ACS omega","2020","5","37","23621","23630","10.1021/acsomega.0c02177","","x-ray","1.54184","CuKα","","0.1094","0.0657","","","0.2273","0.2632","","","","","","1.092","","","","has coordinates,has disorder","301843","2025-08-21","01:59:38",""
"4518028","11.6696","0.0003","12.2099","0.0003","16.0856","0.0004","78.793","0.002","71.385","0.002","77.94","0.002","2103.86","0.1","173","","173","","","","","","","","","4","P -1","-P 1","2","","","","- C48 H50 O6 P2 -","- C48 H50 O6 P2 -","- C96 H100 O12 P4 -","2","1","","Katagiri, Kosuke; Ohara, Masahiro; Ikehara, Masahiro; Higashimura, Ikkei; Isono, Koshiro","Oxaphosphacyclophanes Constructed from a Bis(triphenylphosphine oxide) Moiety Linked by Dioxyalkyl Chains: Synthesis and Crystal Structures.","ACS omega","2020","5","37","23621","23630","10.1021/acsomega.0c02177","","x-ray","1.54184","CuKα","","0.0591","0.0478","","","0.1382","0.1466","","","","","","1.035","","","","has coordinates","301843","2025-08-21","01:59:38",""
"4518029","14.58208","0.00011","14.63153","0.00014","21.2423","0.0002","90","","96.8405","0.0008","90","","4499.96","0.07","173","","173","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C53 H54 O6 P2 -","- C53 H54 O6 P2 -","- C212 H216 O24 P8 -","4","1","","Katagiri, Kosuke; Ohara, Masahiro; Ikehara, Masahiro; Higashimura, Ikkei; Isono, Koshiro","Oxaphosphacyclophanes Constructed from a Bis(triphenylphosphine oxide) Moiety Linked by Dioxyalkyl Chains: Synthesis and Crystal Structures.","ACS omega","2020","5","37","23621","23630","10.1021/acsomega.0c02177","","x-ray","1.54184","CuKα","","0.0568","0.0462","","","0.1172","0.1235","","","","","","1.038","","","","has coordinates","301843","2025-08-21","01:59:38",""
"4518030","23.019","0.005","9.024","0.0018","17.562","0.004","90","","95.31","0.03","90","","3632.4","1.4","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C44 H42 O6 P2 -","- C44 H42 O6 P2 -","- C176 H168 O24 P8 -","4","1","","Katagiri, Kosuke; Ohara, Masahiro; Ikehara, Masahiro; Higashimura, Ikkei; Isono, Koshiro","Oxaphosphacyclophanes Constructed from a Bis(triphenylphosphine oxide) Moiety Linked by Dioxyalkyl Chains: Synthesis and Crystal Structures.","ACS omega","2020","5","37","23621","23630","10.1021/acsomega.0c02177","","","0.8","synchrotron","","0.0752","0.0656","","","0.1907","0.2064","","","","","","1.056","","","","has coordinates,has disorder","257063","2020-10-21","18:00:00",""
"4518031","19.383","0.004","20.236","0.004","19.392","0.004","90","","119.84","0.01","90","","6598","2","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C34 H38 Cl2 N2 O Pd S -","- C34 H38 Cl2 N2 O Pd S -","- C272 H304 Cl16 N16 O8 Pd8 S8 -","8","2","","Talukder, Md Muktadir; Cue, John Michael O.; Miller, Justin T.; Gamage, Prabhath L.; Aslam, Amina; McCandless, Gregory T.; Biewer, Michael C.; Stefan, Mihaela C.","Ligand Steric Effects of α-Diimine Nickel(II) and Palladium(II) Complexes in the Suzuki-Miyaura Cross-Coupling Reaction.","ACS omega","2020","5","37","24018","24032","10.1021/acsomega.0c03415","","","0.71073","MoKα","","0.0549","0.0397","","","0.0849","0.0952","","","","","","1.065","","","","has coordinates","257065","2020-10-21","18:00:00",""
"4518032","12.73","0.004","14.003","0.004","8.513","0.002","90","","106.232","0.01","90","","1457","0.7","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H36 Cl2 N4 Ni -","- C32 H36 Cl2 N4 Ni -","- C64 H72 Cl4 N8 Ni2 -","2","0.5","","Talukder, Md Muktadir; Cue, John Michael O.; Miller, Justin T.; Gamage, Prabhath L.; Aslam, Amina; McCandless, Gregory T.; Biewer, Michael C.; Stefan, Mihaela C.","Ligand Steric Effects of α-Diimine Nickel(II) and Palladium(II) Complexes in the Suzuki-Miyaura Cross-Coupling Reaction.","ACS omega","2020","5","37","24018","24032","10.1021/acsomega.0c03415","","","0.71073","MoKα","","0.1483","0.103","","","0.2373","0.2607","","","","","","1.061","","","","has coordinates","257065","2020-10-21","18:00:00",""
"4518033","24.275","0.005","24.275","0.005","18.364","0.006","90","","90","","90","","10821","5","100","2","100","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C39.72 H58.29 Cl4 N4 Ni2 O3.43 -","- C39.716 H58.29 Cl4 N4 Ni2 O3.429 -","- C317.728 H466.32 Cl32 N32 Ni16 O27.432 -","8","0.5","","Talukder, Md Muktadir; Cue, John Michael O.; Miller, Justin T.; Gamage, Prabhath L.; Aslam, Amina; McCandless, Gregory T.; Biewer, Michael C.; Stefan, Mihaela C.","Ligand Steric Effects of α-Diimine Nickel(II) and Palladium(II) Complexes in the Suzuki-Miyaura Cross-Coupling Reaction.","ACS omega","2020","5","37","24018","24032","10.1021/acsomega.0c03415","","","0.71073","MoKα","","0.0793","0.053","","","0.1428","0.1747","","","","","","1.268","","","","has coordinates","257065","2020-10-21","18:00:00",""
"4518034","8.623","0.003","9.493","0.003","11.552","0.004","112.209","0.01","107.067","0.009","96.813","0.01","808.3","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H18 Cl2 N2 Pd -","- C16 H18 Cl2 N2 Pd -","- C32 H36 Cl4 N4 Pd2 -","2","1","","Talukder, Md Muktadir; Cue, John Michael O.; Miller, Justin T.; Gamage, Prabhath L.; Aslam, Amina; McCandless, Gregory T.; Biewer, Michael C.; Stefan, Mihaela C.","Ligand Steric Effects of α-Diimine Nickel(II) and Palladium(II) Complexes in the Suzuki-Miyaura Cross-Coupling Reaction.","ACS omega","2020","5","37","24018","24032","10.1021/acsomega.0c03415","","","0.71073","MoKα","","0.0267","0.0223","","","0.0512","0.0543","","","","","","1.123","","","","has coordinates","257065","2020-10-21","18:00:00",""
"4518035","9.1117","0.0004","9.1126","0.0003","9.5279","0.0004","73.971","0.003","81.252","0.004","86.515","0.003","751.36","0.05","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H19 N O -","- C19 H19 N O -","- C38 H38 N2 O2 -","2","1","","Das Adhikari, Gopal Krushna; Chebolu, Rajesh; Ravikumar, Ponneri Chandrababu","Regio- and Stereoselective Synthesis of the Core Structure of Hexahydrobenzo[<i>c</i>]phenanthridine Alkaloids via Redox-Neutral Cp*Rh(III)-Catalyzed C-H/N-H Annulation of Cyclic Alkenes with Benzamides.","ACS omega","2020","5","37","24033","24044","10.1021/acsomega.0c03434","","x-ray","0.71073","MoKα","","0.0855","0.065","","","0.1924","0.2076","","","","","","1.111","","","","has coordinates","302124","2025-09-12","17:46:23",""
"4518036","9.364","0.0004","12.4629","0.0004","12.6747","0.0003","105.516","0.002","102.852","0.003","102.045","0.003","1331.73","0.09","298","","298","","","","","","","","","4","P -1","-P 1","2","","","","- C17 H15 N O -","- C17 H15 N O -","- C68 H60 N4 O4 -","4","2","","Das Adhikari, Gopal Krushna; Chebolu, Rajesh; Ravikumar, Ponneri Chandrababu","Regio- and Stereoselective Synthesis of the Core Structure of Hexahydrobenzo[<i>c</i>]phenanthridine Alkaloids via Redox-Neutral Cp*Rh(III)-Catalyzed C-H/N-H Annulation of Cyclic Alkenes with Benzamides.","ACS omega","2020","5","37","24033","24044","10.1021/acsomega.0c03434","","","1.54184","CuKα","","0.1021","0.0892","","","0.2384","0.2479","","","","","","1.093","","","","has coordinates","302124","2025-09-12","17:46:23",""
"4518045","5.6074","0.0002","10.999","0.0004","11.5162","0.0004","70.359","0.003","87.896","0.003","80.916","0.003","660.45","0.04","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C12 H16 N2 O5 S -","- C12 H16 N2 O5 S -","- C24 H32 N4 O10 S2 -","2","2","","Gissot, Arnaud; Massip, Stéphane; Barthélémy, Philippe","Intramolecular Michael Additions in Uridine Derivatives: Isolation of the Labile 5′O-C6 Cyclonucleoside","ACS Omega","2020","5","38","24746","24753","10.1021/acsomega.0c03348","","","1.54184","CuKα","","0.0345","0.0343","","","0.0943","0.0945","","","","","","1.029","","","","has coordinates","301843","2025-08-21","01:59:39",""
"4518046","16.6577","0.0003","9.0916","0.0002","11.5007","0.0002","90","","102.302","0.002","90","","1701.73","0.06","153","2","153","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C13 H17 Cl3 N2 O6 -","- C13 H17 Cl3 N2 O6 -","- C52 H68 Cl12 N8 O24 -","4","1","","Gissot, Arnaud; Massip, Stéphane; Barthélémy, Philippe","Intramolecular Michael Additions in Uridine Derivatives: Isolation of the Labile 5′O-C6 Cyclonucleoside","ACS Omega","2020","5","38","24746","24753","10.1021/acsomega.0c03348","","","1.54184","CuKα","","0.0388","0.0383","","","0.0992","0.0997","","","","","","1.014","","","","has coordinates,has disorder","257074","2020-10-21","18:00:00",""
"4518047","7.0716","0.0003","14.82","0.0004","15.8935","0.0006","90","","90","","90","","1665.66","0.1","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H19 Cl2 N3 O5 -","- C13 H19 Cl2 N3 O5 -","- C52 H76 Cl8 N12 O20 -","4","1","","Gissot, Arnaud; Massip, Stéphane; Barthélémy, Philippe","Intramolecular Michael Additions in Uridine Derivatives: Isolation of the Labile 5′O-C6 Cyclonucleoside","ACS Omega","2020","5","38","24746","24753","10.1021/acsomega.0c03348","","","1.54184","CuKα","","0.0609","0.0585","","","0.1546","0.1567","","","","","","1.02","","","","has coordinates","301843","2025-08-21","01:59:39",""
"4518063","9.7284","0.0006","10.1848","0.0006","21.6633","0.0013","90","","95.2937","0.0009","90","","2137.3","0.2","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C19 H23 Br2 N3 O4 -","- C19 H23 Br2 N3 O4 -","- C76 H92 Br8 N12 O16 -","4","0.5","","Roberts, John M.; Belowich, Matthew E.; Peterson, Thomas H.; Bellinger, Edward; Syverud, Karin; Laitar, David S.; Sidle, Tobias","Homoconjugated Acids as Low Cyclosiloxane-Producing Silanol Polycondensation Catalysts","ACS Omega","2020","5","38","24954","24963","10.1021/acsomega.0c03883","","","0.71073","MoKα","","0.0255","0.022","","","0.0521","0.0535","","","","","","1.084","","","","has coordinates,has disorder","257075","2020-10-21","18:00:00",""
"4518088","6.3541","0.0003","11.5712","0.0003","32.2251","0.0004","90","","90","","90","","2369.34","0.13","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H36 O4 S -","- C26 H36 O4 S -","- C104 H144 O16 S4 -","4","1","","Yuan, Penghui; Yang, Dezhi; Wang, Ruonan; Gong, Ningbo; Zhang, Li; Lu, Yang; Du, Guanhua","Characterization of a New Solvatomorph of Drospirenone by Thermogravimetry–Mass Spectrometry Combined with Other Solid-State Analysis Methods","ACS Omega","2020","","","","","10.1021/acsomega.0c03531","","","1.54178","CuKα","","0.045","0.0406","","","0.1073","0.1114","","","","","","0.994","","","","has coordinates,has disorder","301843","2025-08-21","01:59:39",""
"4518089","12.22","0.004","12.6","0.005","12.894","0.004","90","","90","","90","","1985.3","1.2","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C24 H30 O3 -","- C24 H30 O3 -","- C96 H120 O12 -","4","1","","Yuan, Penghui; Yang, Dezhi; Wang, Ruonan; Gong, Ningbo; Zhang, Li; Lu, Yang; Du, Guanhua","Characterization of a New Solvatomorph of Drospirenone by Thermogravimetry–Mass Spectrometry Combined with Other Solid-State Analysis Methods","ACS Omega","2020","","","","","10.1021/acsomega.0c03531","","","1.54178","CuKα","","0.0398","0.0355","","","0.0946","0.0987","","","","","","1.016","","","","has coordinates","301843","2025-08-21","01:59:39",""
"4518090","21.088","0.003","8.619","0.0013","17.432","0.003","90","","126.527","0.002","90","","2546","0.7","296","2","296.15","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C15 H13 N3 O -","- C15 H13 N3 O -","- C120 H104 N24 O8 -","8","1","","Núñez Alonso, David; Pérez-Torralba, Marta; Claramunt, Rosa M.; Torralba, M. Carmen; Delgado-Martínez, Patricia; Alkorta, Ibon; Elguero, José; Roussel, Christian","Regiospecific Synthesis and Structural Studies of 3,5-Dihydro-4H-pyrido[2,3-b][1,4]diazepin-4-ones and Comparison with 1,3-Dihydro-2H-benzo[b][1,4]diazepin-2-ones","ACS Omega","2020","","","","","10.1021/acsomega.0c03843","","","0.71073","MoKα","","0.091","0.0526","","","0.1378","0.1559","","","","","","1.072","","","","has coordinates","301843","2025-08-21","01:59:39",""
"4518098","20.838","0.005","9.193","0.002","8.4373","0.0019","90","","95.134","0.005","90","","1609.8","0.6","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(E)-di-2,3,5,6,8,9,11,12,14,15-decahydro-1,4,7,10,13,16- benzohexaoxacyclooctadecin-18-yldiazene","","- C32 H46 N2 O12 -","- C32 H46 N2 O12 -","- C64 H92 N4 O24 -","2","0.5","","Ushakov, Evgeny N.; Martyanov, Timofey P.; Vedernikov, Artem I.; Efremova, Asya A.; Moiseeva, Anna A.; Kuz’mina, Lyudmila G.; Dmitrieva, Svetlana N.; Howard, Judith A. K.; Gromov, Sergey P.","Highly Stable Supramolecular Donor–Acceptor Complexes Involving a Bis(18-Crown-6)azobenzene as Weak Donor: Structure–Property Relationships","ACS Omega","2020","","","","","10.1021/acsomega.0c03441","","","0.71073","MoKα","","0.1231","0.0885","","","0.2106","0.224","","","","","","1.037","","","","has coordinates,has disorder","301843","2025-08-21","01:59:39",""
"4518099","16.5989","0.0006","8.1632","0.0003","28.6162","0.0011","90","","92.816","0.004","90","","3872.8","0.2","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","complex between (E)-di-2,3,5,6,8,9,11,12,14,15-decahydro- 1,4,7,10,13,16-benzohexaoxacyclooctadecin-18-yldiazene and 2-bromoethylammonium bromide","","- C48 H102 Br16 N10 O12 -","- C48 H102 Br16 N10 O12 -","- C96 H204 Br32 N20 O24 -","2","0.5","","Ushakov, Evgeny N.; Martyanov, Timofey P.; Vedernikov, Artem I.; Efremova, Asya A.; Moiseeva, Anna A.; Kuz’mina, Lyudmila G.; Dmitrieva, Svetlana N.; Howard, Judith A. K.; Gromov, Sergey P.","Highly Stable Supramolecular Donor–Acceptor Complexes Involving a Bis(18-Crown-6)azobenzene as Weak Donor: Structure–Property Relationships","ACS Omega","2020","","","","","10.1021/acsomega.0c03441","","","0.71073","MoKα","","0.1358","0.0823","","","0.1842","0.2111","","","","","","1.039","","","","has coordinates,has disorder","301843","2025-08-21","01:59:39",""
"4518100","12.5838","0.0003","16.0616","0.0004","17.8292","0.0005","71.082","0.001","79.353","0.001","80.748","0.001","3330.45","0.15","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","complex between (E)-di-2,3,5,6,8,9,11,12,14,15-decahydro- 1,4,7,10,13,16-benzohexaoxacyclooctadecin-18-yldiazene and 2,7-bis(3-ammoniopropyl)benzo[lmn][3,8]phenanthrolinediium tetraperchlorate, acetonitrile and benzene solvate","","- C57 H78 Cl4 N7 O28 -","- C57 H78 Cl4 N7 O28 -","- C114 H156 Cl8 N14 O56 -","2","1","","Ushakov, Evgeny N.; Martyanov, Timofey P.; Vedernikov, Artem I.; Efremova, Asya A.; Moiseeva, Anna A.; Kuz’mina, Lyudmila G.; Dmitrieva, Svetlana N.; Howard, Judith A. K.; Gromov, Sergey P.","Highly Stable Supramolecular Donor–Acceptor Complexes Involving a Bis(18-Crown-6)azobenzene as Weak Donor: Structure–Property Relationships","ACS Omega","2020","","","","","10.1021/acsomega.0c03441","","","0.71073","MoKα","","0.1906","0.1119","","","0.3279","0.3653","","","","","","1.139","","","","has coordinates,has disorder","301843","2025-08-21","01:59:39",""
"4518101","7.5432","0.0001","17.2692","0.0003","18.1411","0.0003","90","","90","","90","","2363.15","0.06","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H38 O2 S2 -","- C24 H38 O2 S2 -","- C96 H152 O8 S8 -","4","1","","Santalla, Hugo; Gándara, Zoila; Gómez-Bouzó, Uxía; Gómez, Generosa; Fall, Yagamare","Easy Access to Polyfunctionalized Chiral Decalins","ACS Omega","2020","","","","","10.1021/acsomega.0c03504","","","1.54178","CuKα","","0.0307","0.0299","","","0.0814","0.0823","","","","","","1.054","","","","has coordinates","301843","2025-08-21","01:59:39",""
"4518102","7.3051","0.0014","9.8993","0.0019","19.553","0.004","90","","90","","90","","1414","0.5","90","2","90","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H12 Cl2 N2 O2 -","- C15 H12 Cl2 N2 O2 -","- C60 H48 Cl8 N8 O8 -","4","1","","Centko, Ryan M.; Carlile, Graeme W.; Barne, Isabel; Patrick, Brian O.; Blagojevic, Polina; Thomas, David Y.; Andersen, Raymond J.","Combination of Selective PARP3 and PARP16 Inhibitory Analogues of Latonduine A Corrects F508del-CFTR Trafficking","ACS Omega","2020","","","","","10.1021/acsomega.0c02467","","x-ray","0.71073","MoKα","","0.0434","0.0329","","","0.064","0.0679","","","","","","1.027","","","","has coordinates","256873","2020-10-21","18:00:00",""
"4518104","13.8479","0.0006","13.8479","0.0006","22.9802","0.001","90","","90","","120","","3816.4","0.3","112.1","0.4","112.1","0.4","","","","","","","","4","P 61","P 61","169","","","","- C25 H33 N3 O5 -","- C25 H33 N3 O5 -","- C150 H198 N18 O30 -","6","1","","Dalabehera, Nihar Ranjan; Meher, Sagarika; Bhusana Palai, Bibhuti; Sharma, Nagendra K.","Instability of Amide Bond with Trifluoroacetic Acid (20%): Synthesis, Conformational Analysis, and Mechanistic Insights into Cleavable Amide Bond Comprising β-Troponylhydrazino Acid.","ACS omega","2020","5","40","26141","26152","10.1021/acsomega.0c03729","","x-ray","1.54184","CuKα","","0.1417","0.1121","","","0.2865","0.3197","","","","","","1.128","","","","has coordinates","301843","2025-08-21","01:59:39",""
"4518105","9.7164","0.0004","12.392","0.0004","7.6809","0.0003","90","","105.389","0.004","90","","891.67","0.06","293","2","298","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","NRD_50","","- C10 H10 N2 O2 -","- C10 H10 N2 O2 -","- C40 H40 N8 O8 -","4","1","","Dalabehera, Nihar Ranjan; Meher, Sagarika; Bhusana Palai, Bibhuti; Sharma, Nagendra K.","Instability of Amide Bond with Trifluoroacetic Acid (20%): Synthesis, Conformational Analysis, and Mechanistic Insights into Cleavable Amide Bond Comprising β-Troponylhydrazino Acid.","ACS omega","2020","5","40","26141","26152","10.1021/acsomega.0c03729","","x-ray","1.54184","CuKα","","0.0853","0.0805","","","0.2538","0.262","","","","","","1.0341","","","","has coordinates","301843","2025-08-21","01:59:39",""
"4518106","11.5951","0.0002","15.3645","0.0003","18.9752","0.0005","90","","90","","90","","3380.49","0.13","296.54","0.18","296.54","0.18","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C31 H42 N4 O7 -","- C31 H42 N4 O7 -","- C124 H168 N16 O28 -","4","1","","Dalabehera, Nihar Ranjan; Meher, Sagarika; Bhusana Palai, Bibhuti; Sharma, Nagendra K.","Instability of Amide Bond with Trifluoroacetic Acid (20%): Synthesis, Conformational Analysis, and Mechanistic Insights into Cleavable Amide Bond Comprising β-Troponylhydrazino Acid.","ACS omega","2020","5","40","26141","26152","10.1021/acsomega.0c03729","","x-ray","1.54184","CuKα","","0.0811","0.0683","","","0.2023","0.2176","","","","","","1.057","","","","has coordinates","302047","2025-09-07","14:15:44",""
"4518107","26.555","0.01","6.0271","0.0013","28.976","0.013","90","","115.99","0.05","90","","4169","3","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C18 H24 N3 O6 -","- C18 H25 N3 O6 -","- C144 H200 N24 O48 -","8","1","","Dalabehera, Nihar Ranjan; Meher, Sagarika; Bhusana Palai, Bibhuti; Sharma, Nagendra K.","Instability of Amide Bond with Trifluoroacetic Acid (20%): Synthesis, Conformational Analysis, and Mechanistic Insights into Cleavable Amide Bond Comprising β-Troponylhydrazino Acid.","ACS omega","2020","5","40","26141","26152","10.1021/acsomega.0c03729","","x-ray","0.71073","MoKα","","0.1017","0.0617","","","0.1543","0.1731","","","","","","1.001","","","","has coordinates","258703","2020-11-04","01:18:03",""
"4518116","11.6007","0.0008","5.3802","0.0003","20.9518","0.0016","90","","105.418","0.008","90","","1260.63","0.16","293","2","293.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C28 H30 N2 O6 -","- C28 H30 N2 O6 -","- C56 H60 N4 O12 -","2","1","","Li, Long; Yin, Xian-Hong; Diao, Kai-Sheng","Improving the Solubility and Bioavailability of Pemafibrate via a New Polymorph Form II.","ACS omega","2020","5","40","26245","26252","10.1021/acsomega.0c04005","","x-ray","0.71073","MoKα","","0.0949","0.0657","","","0.1509","0.1707","","","","","","1.059","","","","has coordinates","301843","2025-08-21","01:59:39",""
"4518126","18.4812","0.0013","20.0663","0.0014","16.503","0.0012","90","","97.1637","0.001","90","","6072.4","0.7","298","2","298","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C55 H74 Cu2 F6 N8 O16 S2 -","- C55 H64 Cu2 F6 N8 O16 S2 -","- C220 H256 Cu8 F24 N32 O64 S8 -","4","1","","La Cognata, Sonia; Mobili, Riccardo; Merlo, Francesca; Speltini, Andrea; Boiocchi, Massimo; Recca, Teresa; Maher, 3rd, Louis J; Amendola, Valeria","Sensing and Liquid-Liquid Extraction of Dicarboxylates Using Dicopper Cryptates.","ACS omega","2020","5","41","26573","26582","10.1021/acsomega.0c03337","","","0.7107","MoKα","","0.1245","0.0742","","","0.1855","0.2203","","","","","","1.026","","","","has coordinates,has disorder","258697","2020-11-04","01:16:12",""
"4518127","10.2103","0.0006","17.798","0.0011","17.8614","0.0011","66.3506","0.0012","86.0444","0.0013","80.6582","0.0013","2933.8","0.3","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C54 H67 Cu2 F6 N8 O14 S2 -","- C54 H59 Cu2 F6 N8 O14 S2 -","- C108 H118 Cu4 F12 N16 O28 S4 -","2","1","","La Cognata, Sonia; Mobili, Riccardo; Merlo, Francesca; Speltini, Andrea; Boiocchi, Massimo; Recca, Teresa; Maher, 3rd, Louis J; Amendola, Valeria","Sensing and Liquid-Liquid Extraction of Dicarboxylates Using Dicopper Cryptates.","ACS omega","2020","5","41","26573","26582","10.1021/acsomega.0c03337","","","0.7107","MoKα","","0.0808","0.0653","","","0.2011","0.2169","","","","","","1.056","","","","has coordinates,has disorder","258697","2020-11-04","01:16:14",""
"4518128","18.6107","0.0018","20.1138","0.0019","16.3528","0.0016","90","","96.202","0.001","90","","6085.5","1","298","2","298","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C55 H74 Cu2 F6 N8 O14 S2 -","- C55 H66 Cu2 F6 N8 O14 S2 -","- C220 H264 Cu8 F24 N32 O56 S8 -","4","1","","La Cognata, Sonia; Mobili, Riccardo; Merlo, Francesca; Speltini, Andrea; Boiocchi, Massimo; Recca, Teresa; Maher, 3rd, Louis J; Amendola, Valeria","Sensing and Liquid-Liquid Extraction of Dicarboxylates Using Dicopper Cryptates.","ACS omega","2020","5","41","26573","26582","10.1021/acsomega.0c03337","","","0.7107","MoKα","","0.1155","0.0792","","","0.227","0.2597","","","","","","1.057","","","","has coordinates,has disorder","258697","2020-11-04","01:16:14",""
"4518131","9.9179","0.0003","11.9722","0.0003","13.8685","0.0004","93.109","0.001","92.712","0.001","91.78","0.001","1641.53","0.08","125","2","125","2","","","","","","","","5","P 1","P 1","1","","","","- C42 H32 N2 Pt S2 -","- C42 H32 N2 Pt S2 -","- C84 H64 N4 Pt2 S4 -","2","2","","Anderson, Craig M.; Coffey, Belle; Morales, Leslie; Greenberg, Matthew W.; Norman, Matthew; Weinstein, Michael; Brown, Garrett; Tanski, Joseph M.","Platinum Complexes from C-H Activation of Sterically Hindered [C^N] Donor Benzothiophene Imine Ligands: Synthesis and Photophysical Properties.","ACS omega","2020","5","41","26855","26863","10.1021/acsomega.0c03993","","","0.71073","MoKα","","0.0366","0.0322","","","0.0733","0.076","","","","","","1.035","","","","has coordinates","258698","2020-11-04","01:16:22",""
"4518135","20.829","0.0005","6.8342","0.0002","10.208","0.0003","90","","112.556","0.002","90","","1341.95","0.07","100","0.1","100","0.1","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C36 H28 N2 O2 -","- C36 H28 N2 O2 -","- C72 H56 N4 O4 -","2","0.5","","Al-Resayes, Saud I; Azam, Mohammad; Trzesowska-Kruszynska, Agata; Kruszynski, Rafal; Soliman, Saied M.; Mohapatra, Ranjan K.; Khan, Zahid","Structural and Theoretical Investigations, Hirshfeld Surface Analyses, and Cytotoxicity of a Naphthalene-Based Chiral Compound.","ACS omega","2020","5","42","27227","27234","10.1021/acsomega.0c03376","","","1.54178","","","0.0263","0.0259","","","0.0701","0.0706","","","","","","1.047","","","","has coordinates","301843","2025-08-21","01:59:39",""
"4518136","12.8882","0.0012","16.8832","0.0015","7.8668","0.0007","90","","106.261","0.003","90","","1643.3","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H15 N5 O2 S -","- C18 H15 N5 O2 S -","- C72 H60 N20 O8 S4 -","4","1","","Shyamsivappan, Selvaraj; Saravanan, Arjunan; Vandana, Nandakumar; Suresh, Thangaraj; Suresh, Shanmugam; Nandhakumar, Raju; Mohan, Palathurai Subramaniam","Novel Quinoline-Based Thiazole Derivatives for Selective Detection of Fe<sup>3+</sup>, Fe<sup>2+</sup>, and Cu<sup>2+</sup> Ions.","ACS omega","2020","5","42","27245","27253","10.1021/acsomega.0c03445","","","0.71073","MoKα","","0.0579","0.0425","","","0.1032","0.112","","","","","","1.029","","","","has coordinates","301843","2025-08-21","01:59:39",""
"4518137","13.888","0.002","4.7349","0.0008","23.274","0.004","90","","91.509","0.006","90","","1529.9","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H13 N5 O2 S -","- C16 H13 N5 O2 S -","- C64 H52 N20 O8 S4 -","4","1","","Shyamsivappan, Selvaraj; Saravanan, Arjunan; Vandana, Nandakumar; Suresh, Thangaraj; Suresh, Shanmugam; Nandhakumar, Raju; Mohan, Palathurai Subramaniam","Novel Quinoline-Based Thiazole Derivatives for Selective Detection of Fe<sup>3+</sup>, Fe<sup>2+</sup>, and Cu<sup>2+</sup> Ions.","ACS omega","2020","5","42","27245","27253","10.1021/acsomega.0c03445","","","0.71073","MoKα","","0.0754","0.0578","","","0.1422","0.1604","","","","","","1.058","","","","has coordinates","301843","2025-08-21","01:59:39",""
"4518149","10.9772","0.0006","46.096","0.003","10.9795","0.0006","90","","93.001","0.001","90","","5548.1","0.6","100","2","100","2","","","","","","","","10","P 1 21 1","P 2yb","4","","","","- C48 H54 Cl4 F12 N O2 P2 Rh S Sb2 -","- C48 H54 Cl4 F12 N O2 P2 Rh S Sb2 -","- C192 H216 Cl16 F48 N4 O8 P8 Rh4 S4 Sb8 -","4","2","","Méndez, Isabel; Ferrer, Carlos; Rodríguez, Ricardo; Lahoz, Fernando J.; García-Orduña, Pilar; Carmona, Daniel","Catalytic Enantioselective Alkylation of Indoles with trans-4-Methylthio-β-Nitrostyrene","ACS Omega","2020","5","43","27978","27989","10.1021/acsomega.0c03485","","","0.71073","MoKα","","0.0464","0.0426","","","0.099","0.1018","","","","","","1.033","","","","has coordinates","301408","2025-07-30","05:56:22",""
"4518150","10.976","0.0018","46","0.008","10.984","0.0018","90","","93.038","0.003","90","","5538","1.6","100","2","100","2","","","","","","","","10","P 1 21 1","P 2yb","4","","","","- C47.5 H55 Cl3 F12 Ir N O3 P2 S Sb2 -","- C47.5 H53 Cl3 F12 Ir N O3 P2 S Sb2 -","- C190 H212 Cl12 F48 Ir4 N4 O12 P8 S4 Sb8 -","4","2","","Méndez, Isabel; Ferrer, Carlos; Rodríguez, Ricardo; Lahoz, Fernando J.; García-Orduña, Pilar; Carmona, Daniel","Catalytic Enantioselective Alkylation of Indoles with trans-4-Methylthio-β-Nitrostyrene","ACS Omega","2020","5","43","27978","27989","10.1021/acsomega.0c03485","","","0.71073","MoKα","","0.0606","0.0488","","","0.1042","0.1106","","","","","","0.987","","","","has coordinates","301408","2025-07-30","05:56:22",""
"4518166","5.6564","0.0003","10.7717","0.0006","11.2333","0.0006","67.751","0.002","80.44","0.002","83.967","0.002","624.01","0.06","293","","293","","","","","","","","","5","P -1","-P 1","2","","","","- C9 H15 N3 O6 S -","- C9 H15 N3 O6 S -","- C18 H30 N6 O12 S2 -","2","1","","Yahia, Hamdi Ben; Sabri, Souhir; Essehli, Rachid; Kasak, Peter; Drogosz-Stachowicz, Joanna; Janecka, Anna; El Bali, Brahim","Crystal Growth, Single Crystal Structure, and Biological Activity of Thiazolo-Pyridine Dicarboxylic Acid Derivatives","ACS Omega","2020","5","43","27756","27765","10.1021/acsomega.0c01769","","x-ray","0.71073","MoKα","","0.0626","0.0354","","","0.0985","0.1116","","","","1.2","1.2","1.12","","","","has coordinates","301843","2025-08-21","01:59:39",""
"4518167","6.2307","0.0003","9.0432","0.0004","11.7429","0.0005","97.642","0.002","93.975","0.002","103.694","0.002","633.64","0.05","150","","150","","","","","","","","","7","P -1","-P 1","2","","","","- C9 H9 N Na O7 P S -","- C9 H9 N Na O7 P S -","- C18 H18 N2 Na2 O14 P2 S2 -","2","1","","Yahia, Hamdi Ben; Sabri, Souhir; Essehli, Rachid; Kasak, Peter; Drogosz-Stachowicz, Joanna; Janecka, Anna; El Bali, Brahim","Crystal Growth, Single Crystal Structure, and Biological Activity of Thiazolo-Pyridine Dicarboxylic Acid Derivatives","ACS Omega","2020","5","43","27756","27765","10.1021/acsomega.0c01769","","x-ray","0.71073","MoKα","","0.0462","0.0427","","","0.1057","0.1077","","","","1.2","1.2","1.19","","","","has coordinates","301843","2025-08-21","01:59:39",""
"4518168","6.2294","0.0008","9.8153","0.0016","17.133","0.003","90","","92.88","0.005","90","","1046.2","0.3","293","","293","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C9 H8 N O5.5 S -","- C9 H8 N O5.5 S -","- C36 H32 N4 O22 S4 -","4","2","","Yahia, Hamdi Ben; Sabri, Souhir; Essehli, Rachid; Kasak, Peter; Drogosz-Stachowicz, Joanna; Janecka, Anna; El Bali, Brahim","Crystal Growth, Single Crystal Structure, and Biological Activity of Thiazolo-Pyridine Dicarboxylic Acid Derivatives","ACS Omega","2020","5","43","27756","27765","10.1021/acsomega.0c01769","","x-ray","0.71069","MoKα","","0.0425","0.0388","","","0.0749","0.0766","","","","1.08","1.08","1.09","","","","has coordinates","301843","2025-08-21","01:59:39",""
"4518169","14.784","0.0009","6.8291","0.0004","16.075","0.0008","90","","106.46","0.002","90","","1556.44","0.15","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H16 N2 O6 S -","- C14 H16 N2 O6 S -","- C56 H64 N8 O24 S4 -","4","1","","Yahia, Hamdi Ben; Sabri, Souhir; Essehli, Rachid; Kasak, Peter; Drogosz-Stachowicz, Joanna; Janecka, Anna; El Bali, Brahim","Crystal Growth, Single Crystal Structure, and Biological Activity of Thiazolo-Pyridine Dicarboxylic Acid Derivatives","ACS Omega","2020","5","43","27756","27765","10.1021/acsomega.0c01769","","x-ray","0.71073","MoKα","","0.0586","0.0415","","","0.1213","0.1316","","","","1.2","1.2","1.14","","","","has coordinates","258699","2020-11-04","01:16:41",""
"4518187","10.8827","0.0004","25.7626","0.0009","13.4803","0.0005","90","","98.617","0.001","90","","3736.8","0.2","180","2","179.99","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C46 H28 N4 -","- C46 H28 N4 -","- C184 H112 N16 -","4","1","","Lei, Puyi; Zhang, Songhe; Zhang, Niu; Yin, Xiaodong; Wang, Nan; Chen, Pangkuan","Triptycene-Based Luminescent Materials in Homoconjugated Charge-Transfer Systems: Synthesis, Electronic Structures, AIE Activity, and Highly Tunable Emissions","ACS Omega","2020","","","","","10.1021/acsomega.0c03565","","","0.71073","MoKα","","0.0926","0.0496","","","0.1171","0.1327","","","","","","1.038","","","","has coordinates","301843","2025-08-21","01:59:39",""
"4518188","11.3781","0.0004","11.4044","0.0004","28.9791","0.0011","90","","96.823","0.001","90","","3733.7","0.2","180","2","179.99","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C46 H28 N4 S2 -","- C46 H28 N4 S2 -","- C184 H112 N16 S8 -","4","1","","Lei, Puyi; Zhang, Songhe; Zhang, Niu; Yin, Xiaodong; Wang, Nan; Chen, Pangkuan","Triptycene-Based Luminescent Materials in Homoconjugated Charge-Transfer Systems: Synthesis, Electronic Structures, AIE Activity, and Highly Tunable Emissions","ACS Omega","2020","","","","","10.1021/acsomega.0c03565","","","0.71073","MoKα","","0.0955","0.0504","","","0.1233","0.1403","","","","","","1.043","","","","has coordinates","301843","2025-08-21","01:59:39",""
"4518194","9.3985","0.0011","12.781","0.0015","25.714","0.003","90","","90","","90","","3088.8","0.6","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C14 H14 Br2 N2 Pt S -","- C14 H14 Br2 N2 Pt S -","- C112 H112 Br16 N16 Pt8 S8 -","8","1","","Bavi, Marzieh; Nabavizadeh, S. Masoud; Hosseini, Fatemeh Niroomand; Niknam, Fatemeh; Hamidizadeh, Peyman; Hoseini, S. Jafar; Raoof, Fatemeh; Abu-Omar, Mahdi M.","Ligand-Mediated C‒Br Oxidative Addition to Cycloplatinated(II) Complexes and Benzyl-Me C‒C Bond Reductive Elimination from a Cycloplatinated(IV) Complex","ACS Omega","2020","","","","","10.1021/acsomega.0c03573","","","0.71073","MoKα","","0.074","0.0421","","","0.0777","0.0876","","","","","","0.987","","","","has coordinates","258649","2020-10-30","22:37:31",""
"4518196","16.3426","0.0004","32.7061","0.0008","10.0263","0.0002","90","","90","","90","","5359.1","0.2","100","2","100","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C34 H29 N O2 S -","- C34 H29 N O2 S -","- C272 H232 N8 O16 S8 -","8","2","","Aratikatla, Eswar K.; Kalamuddin, Md; Malhotra, Pawan; Mohmmed, Asif; Bhattacharya, Asish K.","Enantioselective Synthesis of γ-Phenyl-γ-amino Vinyl Phosphonates and Sulfones and Their Application to the Synthesis of Novel Highly Potent Antimalarials.","ACS omega","2020","5","45","29025","29037","10.1021/acsomega.0c03470","","","1.54178","CuKα","","0.032","0.0308","","","0.0811","0.0825","","","","","","1.034","","","","has coordinates","301843","2025-08-21","01:59:39",""
"4518204","8.8241","0.0002","15.4498","0.0003","20.9753","0.0005","90","","93.185","0.002","90","","2855.16","0.11","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H32 N6 O9.26 -","- C28 H32 N6 O9.256 -","- C112 H128 N24 O37.024 -","4","1","","Dąbrowa, Kajetan; Niedbała, Patryk; Pawlak, Marcin; Lindner, Marcin; Ignacak, Wiktor; Jurczak, Janusz","Tuning Anion-Binding Properties of 22-Membered Unclosed Cryptands by Structural Modification of the Lariat Arm.","ACS omega","2020","5","45","29601","29608","10.1021/acsomega.0c04660","","","0.71073","MoKα","","0.0502","0.0321","","","0.0795","0.0827","","","","","","0.976","","","","has coordinates,has disorder","259511","2020-12-04","02:14:59",""
"4518205","15.6616","0.0005","16.0618","0.0004","20.4891","0.0006","102.644","0.002","104.632","0.002","98.413","0.002","4753.8","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C44.5 H67 Cl2 N7 O8 -","- C44.5 H67 Cl2 N7 O8 -","- C178 H268 Cl8 N28 O32 -","4","2","","Dąbrowa, Kajetan; Niedbała, Patryk; Pawlak, Marcin; Lindner, Marcin; Ignacak, Wiktor; Jurczak, Janusz","Tuning Anion-Binding Properties of 22-Membered Unclosed Cryptands by Structural Modification of the Lariat Arm.","ACS omega","2020","5","45","29601","29608","10.1021/acsomega.0c04660","","","0.71073","MoKα","","0.0549","0.0335","","","0.0854","0.0895","","","","","","1.026","","","","has coordinates","301408","2025-07-30","05:56:22",""
"4518206","8.5352","0.0003","20.3585","0.0007","15.2562","0.0005","90","","90.899","0.003","90","","2650.65","0.16","104","2","104","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C50 H65 N12 O17 -","- C50 H65 N12 O17 -","- C100 H130 N24 O34 -","2","0.5","","Dąbrowa, Kajetan; Niedbała, Patryk; Pawlak, Marcin; Lindner, Marcin; Ignacak, Wiktor; Jurczak, Janusz","Tuning Anion-Binding Properties of 22-Membered Unclosed Cryptands by Structural Modification of the Lariat Arm.","ACS omega","2020","5","45","29601","29608","10.1021/acsomega.0c04660","","","0.71073","MoKα","","0.0513","0.0306","","","0.0657","0.068","","","","","","0.903","","","","has coordinates","259511","2020-12-04","02:14:59",""
"4518207","13.5574","0.0003","17.7049","0.0003","29.5129","0.0005","90","","90","","90","","7084.1","0.2","100","2","100","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C268 H330 N54 O69.6 -","- C268 H330 N54 O69.6 -","- C268 H330 N54 O69.6 -","1","0.25","","Dąbrowa, Kajetan; Niedbała, Patryk; Pawlak, Marcin; Lindner, Marcin; Ignacak, Wiktor; Jurczak, Janusz","Tuning Anion-Binding Properties of 22-Membered Unclosed Cryptands by Structural Modification of the Lariat Arm.","ACS omega","2020","5","45","29601","29608","10.1021/acsomega.0c04660","","","0.71073","MoKα","","0.0553","0.0404","","","0.1055","0.111","","","","","","0.989","","","","has coordinates,has disorder","259511","2020-12-04","02:14:59",""
"4518208","8.464","0.0006","14.0128","0.001","12.6748","0.0008","90","","99.102","0.002","90","","1484.36","0.18","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H10 Br4 Hg N2 -","- C10 H10 Br4 Hg N2 -","- C40 H40 Br16 Hg4 N8 -","4","1","","Sánchez-Férez, Francisco; Solans-Monfort, Xavier; Calvet, Teresa; Font-Bardia, Mercè; Pons, Josefina","Influence of Aromatic Cations on the Structural Arrangement of Hg(II) Halides.","ACS omega","2020","5","45","29357","29372","10.1021/acsomega.0c04175","","","0.71073","MoKα","","0.0238","0.0228","","","0.0545","0.055","","","","","","1.063","","","","has coordinates","259510","2020-12-04","02:14:43",""
"4518209","8.991","0.003","19.04","0.008","9.004","0.003","90","","93.322","0.013","90","","1538.8","1","100","2","100","2","","","","","","","","5","P 1 2/m 1","-P 2y","10","","","","- C24 H18 Hg I4 N4 -","- C24 H18 Hg I4 N4 -","- C48 H36 Hg2 I8 N8 -","2","0.5","","Sánchez-Férez, Francisco; Solans-Monfort, Xavier; Calvet, Teresa; Font-Bardia, Mercè; Pons, Josefina","Influence of Aromatic Cations on the Structural Arrangement of Hg(II) Halides.","ACS omega","2020","5","45","29357","29372","10.1021/acsomega.0c04175","","","0.71073","MoKα","","0.0487","0.0419","","","0.0983","0.1032","","","","","","1.132","","","","has coordinates,has disorder","259510","2020-12-04","02:14:46",""
"4518210","7.8704","0.0004","15.6908","0.0007","13.8093","0.0007","90","","90.282","0.002","90","","1705.33","0.14","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H10 Hg I4 N2 -","- C10 H10 Hg I4 N2 -","- C40 H40 Hg4 I16 N8 -","4","1","","Sánchez-Férez, Francisco; Solans-Monfort, Xavier; Calvet, Teresa; Font-Bardia, Mercè; Pons, Josefina","Influence of Aromatic Cations on the Structural Arrangement of Hg(II) Halides.","ACS omega","2020","5","45","29357","29372","10.1021/acsomega.0c04175","","","0.71073","MoKα","","0.039","0.0279","","","0.0584","0.0659","","","","","","1.254","","","","has coordinates","259510","2020-12-04","02:14:46",""
"4518211","7.4413","0.0003","21.6102","0.0012","15.4817","0.0008","90","","94.962","0.002","90","","2480.3","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H18 Cl6 Hg2 N4 -","- C20 H18 Cl6 Hg2 N4 -","- C80 H72 Cl24 Hg8 N16 -","4","1","","Sánchez-Férez, Francisco; Solans-Monfort, Xavier; Calvet, Teresa; Font-Bardia, Mercè; Pons, Josefina","Influence of Aromatic Cations on the Structural Arrangement of Hg(II) Halides.","ACS omega","2020","5","45","29357","29372","10.1021/acsomega.0c04175","","","0.71073","MoKα","","0.034","0.0224","","","0.0437","0.0503","","","","","","1.066","","","","has coordinates","259510","2020-12-04","02:14:46",""
"4518212","16.3186","0.0006","10.696","0.0004","14.6085","0.0005","90","","107.856","0.001","90","","2427","0.15","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H20 Cl4 Hg N4 O -","- C24 H20 Cl4 Hg N4 O -","- C96 H80 Cl16 Hg4 N16 O4 -","4","1","","Sánchez-Férez, Francisco; Solans-Monfort, Xavier; Calvet, Teresa; Font-Bardia, Mercè; Pons, Josefina","Influence of Aromatic Cations on the Structural Arrangement of Hg(II) Halides.","ACS omega","2020","5","45","29357","29372","10.1021/acsomega.0c04175","","","0.71073","MoKα","","0.0241","0.0223","","","0.054","0.0547","","","","","","1.059","","","","has coordinates","259510","2020-12-04","02:14:46",""
"4518213","7.816","0.0007","9.0601","0.0008","18.787","0.0017","86.438","0.003","86.462","0.003","66.489","0.003","1216.59","0.19","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H18 Br4 Hg N4 -","- C24 H18 Br4 Hg N4 -","- C48 H36 Br8 Hg2 N8 -","2","1","","Sánchez-Férez, Francisco; Solans-Monfort, Xavier; Calvet, Teresa; Font-Bardia, Mercè; Pons, Josefina","Influence of Aromatic Cations on the Structural Arrangement of Hg(II) Halides.","ACS omega","2020","5","45","29357","29372","10.1021/acsomega.0c04175","","","0.71073","MoKα","","0.0398","0.0389","","","0.0986","0.0992","","","","","","1.104","","","","has coordinates","259510","2020-12-04","02:14:46",""
"4518217","9.9064","0.0002","10.7737","0.0002","13.562","0.0002","90","","103.821","0.002","90","","1405.54","0.05","93","2","93","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H46 Cl2 P4 Pd2 -","- C18 H46 Cl2 P4 Pd2 -","- C36 H92 Cl4 P8 Pd4 -","2","0.5","","Takeuchi, Katsuhiko; Kim, Kun-Woo; Kim, Yong-Joo; Fukaya, Norihisa; Sato, Kazuhiko; Choi, Jun-Chul","Synthesis and Structure of Multinuclear Pd(II) Complexes Bridged by Phosphide or Azide Ligands.","ACS omega","2020","5","46","29706","29713","10.1021/acsomega.0c03317","","","0.71073","MoKα","","0.0137","0.0136","","","0.0349","0.035","","","","","","1.183","","","","has coordinates","259505","2020-12-04","02:13:24",""
"4518218","6.9572","0.0001","11.9501","0.0002","13.6334","0.0002","90","","98.412","0.002","90","","1121.28","0.03","93","2","93","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H30 N12 P2 Pd2 -","- C12 H30 N12 P2 Pd2 -","- C24 H60 N24 P4 Pd4 -","2","0.5","","Takeuchi, Katsuhiko; Kim, Kun-Woo; Kim, Yong-Joo; Fukaya, Norihisa; Sato, Kazuhiko; Choi, Jun-Chul","Synthesis and Structure of Multinuclear Pd(II) Complexes Bridged by Phosphide or Azide Ligands.","ACS omega","2020","5","46","29706","29713","10.1021/acsomega.0c03317","","","0.71073","MoKα","","0.0223","0.0217","","","0.0593","0.0596","","","","","","1.044","","","","has coordinates","301843","2025-08-21","01:59:39",""
"4518219","7.7922","0.0001","11.736","0.0002","12.1887","0.0002","90","","105.424","0.002","90","","1074.5","0.03","93","2","93","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H22 Cl4 P2 Pd2 -","- C16 H22 Cl4 P2 Pd2 -","- C32 H44 Cl8 P4 Pd4 -","2","0.5","","Takeuchi, Katsuhiko; Kim, Kun-Woo; Kim, Yong-Joo; Fukaya, Norihisa; Sato, Kazuhiko; Choi, Jun-Chul","Synthesis and Structure of Multinuclear Pd(II) Complexes Bridged by Phosphide or Azide Ligands.","ACS omega","2020","5","46","29706","29713","10.1021/acsomega.0c03317","","","0.71073","MoKα","","0.0143","0.0141","","","0.0361","0.0363","","","","","","1.178","","","","has coordinates","259505","2020-12-04","02:13:35",""
"4518220","9.5404","0.0002","11.4408","0.0002","21.1667","0.0003","90","","90","","90","","2310.34","0.07","113","2","113","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C20 H32 Cl O P3 Pd -","- C20 H32 Cl O P3 Pd -","- C80 H128 Cl4 O4 P12 Pd4 -","4","1","","Takeuchi, Katsuhiko; Kim, Kun-Woo; Kim, Yong-Joo; Fukaya, Norihisa; Sato, Kazuhiko; Choi, Jun-Chul","Synthesis and Structure of Multinuclear Pd(II) Complexes Bridged by Phosphide or Azide Ligands.","ACS omega","2020","5","46","29706","29713","10.1021/acsomega.0c03317","","","0.71073","MoKα","","0.015","0.0148","","","0.0381","0.0381","","","","","","1.088","","","","has coordinates","259505","2020-12-04","02:13:35",""
"4518221","23.5646","0.0002","13.3084","0.0001","38.4626","0.0003","90","","90","","90","","12062.2","0.17","93","2","93","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C46 H60 N24 P4 Pd4 -","- C46 H60 N24 P4 Pd4 -","- C368 H480 N192 P32 Pd32 -","8","2","","Takeuchi, Katsuhiko; Kim, Kun-Woo; Kim, Yong-Joo; Fukaya, Norihisa; Sato, Kazuhiko; Choi, Jun-Chul","Synthesis and Structure of Multinuclear Pd(II) Complexes Bridged by Phosphide or Azide Ligands.","ACS omega","2020","5","46","29706","29713","10.1021/acsomega.0c03317","","","0.71073","MoKα","","0.0365","0.0362","","","0.0971","0.0973","","","","","","1.17","","","","has coordinates,has disorder","259505","2020-12-04","02:13:35",""
"4518222","9.986","0.0002","11.4915","0.0002","17.4719","0.0003","78.881","0.002","86.644","0.002","71.922","0.002","1870.22","0.06","93","2","93","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H62 Cl2 P4 Pd2 -","- C30 H62 Cl2 P4 Pd2 -","- C60 H124 Cl4 P8 Pd4 -","2","1","","Takeuchi, Katsuhiko; Kim, Kun-Woo; Kim, Yong-Joo; Fukaya, Norihisa; Sato, Kazuhiko; Choi, Jun-Chul","Synthesis and Structure of Multinuclear Pd(II) Complexes Bridged by Phosphide or Azide Ligands.","ACS omega","2020","5","46","29706","29713","10.1021/acsomega.0c03317","","","0.71073","MoKα","","0.0168","0.0157","","","0.043","0.0434","","","","","","1.033","","","","has coordinates","259505","2020-12-04","02:13:35",""
"4518223","8.2958","0.0013","11.681","0.003","12.753","0.003","88.841","0.006","89.295","0.006","71.562","0.006","1172.1","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","(2E)-N-(2,4-dimethylphenyl)-2-({2-[(2-oxo-2H-1-benzopyran-3-yl)methoxy]phenyl} methylidene)hydrazine-1-carbothioamide","","- C26 H23 N3 O3 S -","- C26 H23 N3 O3 S -","- C52 H46 N6 O6 S2 -","2","1","","Basri, Rabia; Khalid, Muhammad; Shafiq, Zahid; Tahir, Muhammad Suleman; Khan, Muhammad Usman; Tahir, Muhammad Nawaz; Naseer, Muhammad Moazzam; Braga, Ataualpa Albert Carmo","Exploration of Chromone-Based Thiosemicarbazone Derivatives: SC-XRD/DFT, Spectral (IR, UV-Vis) Characterization, and Quantum Chemical Analysis.","ACS omega","2020","5","46","30176","30188","10.1021/acsomega.0c04653","","","0.71073","MoKα","","0.0765","0.0506","","","0.1349","0.1519","","","","","","1.018","","","","has coordinates","301843","2025-08-21","01:59:39",""
"4518224","17.8975","0.0013","11.9162","0.0008","41.526","0.003","90","","90","","90","","8856.3","1.1","296","2","296","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","(2E)-N-cyclohexyl-2-({2-[(2-oxo-2H-1-benzopyran-3-yl)methoxy]phenyl} methylidene)hydrazine-1-carbothioamide","","- C24 H25 N3 O3 S -","- C23.115 H23.3775 N3 O3 S -","- C369.84 H374.04 N48 O48 S16 -","16","2","","Basri, Rabia; Khalid, Muhammad; Shafiq, Zahid; Tahir, Muhammad Suleman; Khan, Muhammad Usman; Tahir, Muhammad Nawaz; Naseer, Muhammad Moazzam; Braga, Ataualpa Albert Carmo","Exploration of Chromone-Based Thiosemicarbazone Derivatives: SC-XRD/DFT, Spectral (IR, UV-Vis) Characterization, and Quantum Chemical Analysis.","ACS omega","2020","5","46","30176","30188","10.1021/acsomega.0c04653","","","0.71073","MoKα","","0.1318","0.064","","","0.1427","0.1747","","","","","","1.023","","","","has coordinates,has disorder","259506","2020-12-04","02:13:46",""
"4518227","7.0293","0.0003","29.2917","0.0007","12.7862","0.0004","90","","99.495","0.003","90","","2596.61","0.15","100.01","0.1","100.01","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C46 H54 Ca2 O36 -","- C46 H54 Ca2 O36 -","- C92 H108 Ca4 O72 -","2","0.5","","Rodríguez, Israel; Flores Bello, Jeaninna; Marie Serrano Valcárcel, Joyce; López-Mejías, Vilmalí","Design of Potential Pharmaceutical-Based Metal Complexes Derived from Cromolyn a Mast Cell Stabilizer","ACS Omega","2020","5","46","29714","29721","10.1021/acsomega.0c03320","","x-ray","1.54184","CuKα","","0.0872","0.0791","","","0.1913","0.1969","","","","","","1.098","","","","has coordinates","259508","2020-12-04","02:14:09",""
"4518228","31.90641","0.00018","6.99799","0.00005","22.92769","0.00014","90","","95.6148","0.0006","90","","5094.75","0.06","100","0.1","100","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C46 H53.62 O35 Zn2 -","- C46 H53.62 O35 Zn2 -","- C184 H214.48 O140 Zn8 -","4","0.5","","Rodríguez, Israel; Flores Bello, Jeaninna; Marie Serrano Valcárcel, Joyce; López-Mejías, Vilmalí","Design of Potential Pharmaceutical-Based Metal Complexes Derived from Cromolyn a Mast Cell Stabilizer","ACS Omega","2020","5","46","29714","29721","10.1021/acsomega.0c03320","","","1.54184","CuKα","","0.0327","0.0304","","","0.0782","0.0797","","","","","","1.046","","","","has coordinates,has disorder","259508","2020-12-04","02:14:10",""
"4518229","7.3421","0.0001","10.3741","0.0001","16.8517","0.0002","100.899","0.001","98.916","0.001","93.556","0.001","1239.64","0.03","100.01","0.1","100.01","0.1","","","","","","","","4","P -1","-P 1","2","","Cromolyn-Mg metal complex","","- C23 H26 Mg O17 -","- C23 H26 Mg O17 -","- C46 H52 Mg2 O34 -","2","1","","Rodríguez, Israel; Flores Bello, Jeaninna; Marie Serrano Valcárcel, Joyce; López-Mejías, Vilmalí","Design of Potential Pharmaceutical-Based Metal Complexes Derived from Cromolyn a Mast Cell Stabilizer","ACS Omega","2020","5","46","29714","29721","10.1021/acsomega.0c03320","","x-ray","1.54184","CuKα","","0.0482","0.0455","","","0.1224","0.1246","","","","","","1.039","","","","has coordinates","259508","2020-12-04","02:14:10",""
"4518230","18.3661","0.0016","16.0719","0.0014","27.117","0.003","90","","108.602","0.01","90","","7586.2","1.3","298","2","298","2","","","","","","","","5","I 1 2/c 1","-I 2yc","15","","","","- C72 H60 Cu4 I4 P4 -","- C72 H60 Cu4 I4 P4 -","- C288 H240 Cu16 I16 P16 -","4","0.5","","Castillo, Juan-Carlos; Bravo, Nestor-Fabian; Tamayo, Lenka-Victoria; Mestizo, Paula-Daniela; Hurtado, John; Macías, Mario; Portilla, Jaime","Water-Compatible Synthesis of 1,2,3-Triazoles under Ultrasonic Conditions by a Cu(I) Complex-Mediated Click Reaction.","ACS omega","2020","5","46","30148","30159","10.1021/acsomega.0c04592","","","0.71073","MoKα","","0.0524","0.0387","","","0.0935","0.1047","","","","","","1.028","","","","has coordinates,has disorder","259507","2020-12-04","02:13:57",""
"4518231","10.7747","0.0008","15.4475","0.001","19.6421","0.0012","109.743","0.006","99.759","0.005","103.575","0.006","2878.4","0.4","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C29 H31 Cu I N4 P -","- C29 H31 Cu I N4 P -","- C116 H124 Cu4 I4 N16 P4 -","4","2","","Castillo, Juan-Carlos; Bravo, Nestor-Fabian; Tamayo, Lenka-Victoria; Mestizo, Paula-Daniela; Hurtado, John; Macías, Mario; Portilla, Jaime","Water-Compatible Synthesis of 1,2,3-Triazoles under Ultrasonic Conditions by a Cu(I) Complex-Mediated Click Reaction.","ACS omega","2020","5","46","30148","30159","10.1021/acsomega.0c04592","","","0.71073","MoKα","","0.0786","0.0521","","","0.127","0.1555","","","","","","1.103","","","","has coordinates","259507","2020-12-04","02:13:57",""
"4518234","13.872","0.006","18.09","0.008","20.222","0.008","88.162","0.012","85.843","0.001","88.603","0.008","5057","4","293","2","293","2","","","","","","","","9","P -1","-P 1","2","","","","- C50 H104 F33 N16 O18 P3 Pd2 Pt4 Rh2 -","- C50 H104 F33 N16 O18 P3 Pd2 Pt4 Rh2 -","- C100 H208 F66 N32 O36 P6 Pd4 Pt8 Rh4 -","2","1","","Uemura, Kazuhiro; Ito, Daiki; Pirillo, Jenny; Hijikata, Yuh; Saeki, Akinori","Modulation of Band Gaps toward Varying Conductivities in Heterometallic One-Dimensional Chains by Ligand Alteration and Third Metal Insertion","ACS Omega","2020","5","47","30502","30518","10.1021/acsomega.0c04317","","","0.7107","MoKα","","0.1735","0.0925","","","0.1452","0.1771","","","","","","1.094","","","","has coordinates","259509","2020-12-04","02:14:24",""
"4518235","30.731","0.013","11.615","0.004","22.369","0.01","90","","128.996","0.005","90","","6205","4","293","2","293","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C36 H84 F18 N8 O8 P3 Pd Pt2 -","- C36 H84 F18 N8 O8 P3 Pd Pt2 -","- C144 H336 F72 N32 O32 P12 Pd4 Pt8 -","4","0.5","","Uemura, Kazuhiro; Ito, Daiki; Pirillo, Jenny; Hijikata, Yuh; Saeki, Akinori","Modulation of Band Gaps toward Varying Conductivities in Heterometallic One-Dimensional Chains by Ligand Alteration and Third Metal Insertion","ACS Omega","2020","5","47","30502","30518","10.1021/acsomega.0c04317","","","0.7107","MoKα","","0.1027","0.0699","","","0.1533","0.1729","","","","","","1.133","","","","has coordinates","301843","2025-08-21","01:59:39",""
"4518236","13.336","0.003","14.243","0.003","14.118","0.003","90","","97.164","0.003","90","","2660.7","1","293","2","293","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C28 H64 F12 N8 O12 P2 Pd Pt2 Rh2 -","- C28 H64 F12 N8 O12 P2 Pd Pt2 Rh2 -","- C56 H128 F24 N16 O24 P4 Pd2 Pt4 Rh4 -","2","0.5","","Uemura, Kazuhiro; Ito, Daiki; Pirillo, Jenny; Hijikata, Yuh; Saeki, Akinori","Modulation of Band Gaps toward Varying Conductivities in Heterometallic One-Dimensional Chains by Ligand Alteration and Third Metal Insertion","ACS Omega","2020","5","47","30502","30518","10.1021/acsomega.0c04317","","","0.7107","MoKα","","0.083","0.0544","","","0.1035","0.1191","","","","","","1.086","","","","has coordinates","259509","2020-12-04","02:14:24",""
"4518237","11.331","0.002","22.019","0.005","12.253","0.003","90","","95.145","0.003","90","","3044.8","1.2","293","2","293","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C36 H88 F12 N8 O10 P2 Pd Pt2 -","- C36 H88 F12 N8 O10 P2 Pd Pt2 -","- C72 H176 F24 N16 O20 P4 Pd2 Pt4 -","2","0.5","","Uemura, Kazuhiro; Ito, Daiki; Pirillo, Jenny; Hijikata, Yuh; Saeki, Akinori","Modulation of Band Gaps toward Varying Conductivities in Heterometallic One-Dimensional Chains by Ligand Alteration and Third Metal Insertion","ACS Omega","2020","5","47","30502","30518","10.1021/acsomega.0c04317","","","0.7107","MoKα","","0.044","0.0364","","","0.0955","0.1036","","","","","","1.123","","","","has coordinates","301843","2025-08-21","01:59:39",""
"4518261","10.7674","0.0003","9.7908","0.0002","16.6353","0.0004","90","","100.786","0.001","90","","1722.73","0.07","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H18 N4 O3 -","- C20 H18 N4 O3 -","- C80 H72 N16 O12 -","4","1","","Pham, Thanh Chung; Lee, Seongman; Kim, Dongwon; Jung, Ok-Sang; Lee, Myung Won; Lee, Songyi","Visual Simultaneous Detection and Real-Time Monitoring of Cadmium Ions Based on Conjugated Polydiacetylenes","ACS Omega","2020","","","","","10.1021/acsomega.0c04636","","","0.71073","MoKα","","0.0545","0.0446","","","0.1102","0.1198","","","","","","1.022","","","","has coordinates","301843","2025-08-21","01:59:39",""
"4518262","9.6559","0.0003","10.0445","0.0003","14.3756","0.0005","103.534","0.001","93.348","0.001","107.223","0.001","1282.47","0.07","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H13 N O -","- C17 H13 N O -","- C68 H52 N4 O4 -","4","2","","Liu, Tanggao; Xu, Fan; Liu, Xiaojuan; Huang, Zhiqing; Long, Lipeng; Xu, Guohai; Xiao, Hong; Chen, Zhengwang","Switching the Regioselectivity Access to Pyrroles and Isoquinolines from Ketoxime Acetates and Ynals","ACS Omega","2020","","","","","10.1021/acsomega.0c05272","","","0.71076","MoKα","","0.0582","0.0441","","","0.1026","0.1138","","","","","","1.03","","","","has coordinates","301843","2025-08-21","01:59:39",""
"4518263","9.2551","0.0004","9.7521","0.0004","9.964","0.0005","79.683","0.001","62.752","0.001","75.392","0.001","771.56","0.06","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H14 F N O2 -","- C19 H14 F N O2 -","- C38 H28 F2 N2 O4 -","2","1","","Liu, Tanggao; Xu, Fan; Liu, Xiaojuan; Huang, Zhiqing; Long, Lipeng; Xu, Guohai; Xiao, Hong; Chen, Zhengwang","Switching the Regioselectivity Access to Pyrroles and Isoquinolines from Ketoxime Acetates and Ynals","ACS Omega","2020","","","","","10.1021/acsomega.0c05272","","","0.71076","MoKα","","0.0599","0.0454","","","0.1121","0.1215","","","","","","1.056","","","","has coordinates","301843","2025-08-21","01:59:39",""
"4518264","8.4462","0.0004","8.9559","0.0004","9.0736","0.0004","91.876","0.004","92.266","0.004","110.478","0.004","641.69","0.05","299.26","0.1","299.26","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C17 H13 N O -","- C17 H13 N O -","- C34 H26 N2 O2 -","2","1","","Liu, Tanggao; Xu, Fan; Liu, Xiaojuan; Huang, Zhiqing; Long, Lipeng; Xu, Guohai; Xiao, Hong; Chen, Zhengwang","Switching the Regioselectivity Access to Pyrroles and Isoquinolines from Ketoxime Acetates and Ynals","ACS Omega","2020","","","","","10.1021/acsomega.0c05272","","x-ray","0.71073","MoKα","","0.0897","0.0606","","","0.1617","0.1803","","","","","","1.129","","","","has coordinates","301843","2025-08-21","01:59:39",""
"4518267","15.6719","0.0016","17.744","0.0015","20.2811","0.0019","75.588","0.003","83.904","0.003","69.178","0.003","5104.6","0.8","100","2","100.15","","","","","","","","","4","P -1","-P 1","2","","","","- C132 H112 N10 Zn -","- C132 H112 N10 Zn -","- C264 H224 N20 Zn2 -","2","1","","Lu, Chenwei; Wang, Chunlai; Jimenez, Jayvic C.; Rheingold, Arnold L.; Sauvé, Genevieve","Large Non-planar Conjugated Molecule with Strong Intermolecular Interactions Achieved with Homoleptic Zn(II) Complex of Di(5-quinolylethynyl)-tetraphenylazadipyrromethene","ACS Omega","2020","","","","","10.1021/acsomega.0c05169","","","0.71073","MoKα","","0.1047","0.0708","","","0.2054","0.2327","","","","","","1.065","","","","has coordinates","301843","2025-08-21","01:59:39",""
"4518279","13.2511","0.0019","13.2511","0.0019","23.039","0.005","90","","90","","120","","3503.5","1","373","2","373","2","","","","","","","","3","R -3 m :H","-R 3 2""","166","Ag-levyne","","","- Ag9.02 O118.9 Si54 -","- Ag9.906 O118.8 Si54 -","- Ag9.906 O118.8 Si54 -","1","0.0277778","","Cametti, Georgia; Scheinost, Andreas C.; Churakov, Sergey V.","Structural Evolution of Ag-LEV Zeolite upon Heating: An In Situ Single-Crystal X-ray Diffraction (SC-XRD) and X-ray Absorption Spectroscopy (XAS) Study.","ACS omega","2020","5","49","31774","31783","10.1021/acsomega.0c04455","","","0.71073","MoKα","","0.0856","0.0778","","","0.2329","0.2395","","","","","","1.129","","","","has coordinates","260415","2021-01-04","03:06:23",""
"4518280","12.912","0.003","12.912","0.003","23.67","0.005","90","0.03","90","0.03","120","0.03","3417.6","1.7","296","2","296","2","","","","","","","","3","R 3 m :H","R 3 -2""","160","Ag-levyne","","","- Ag7.75 O108 Si54 -","- Ag9.714 O108 Si54 -","- Ag9.714 O108 Si54 -","1","0.0555556","","Cametti, Georgia; Scheinost, Andreas C.; Churakov, Sergey V.","Structural Evolution of Ag-LEV Zeolite upon Heating: An In Situ Single-Crystal X-ray Diffraction (SC-XRD) and X-ray Absorption Spectroscopy (XAS) Study.","ACS omega","2020","5","49","31774","31783","10.1021/acsomega.0c04455","","","0.71073","MoKα","","0.1102","0.0874","","","0.2285","0.2522","","","","","","1.127","","","","has coordinates","260415","2021-01-04","03:06:24",""
"4518281","12.9559","0.0018","12.9559","0.0018","23.611","0.005","90","","90","","120","","3432.3","1","498","2","498","2","","","","","","","","3","R 3 m :H","R 3 -2""","160","Ag-levyne","","","- Ag9.54 O108.74 Si54 -","- Ag9.495 O108 Si54 -","- Ag9.495 O108 Si54 -","1","0.0555556","","Cametti, Georgia; Scheinost, Andreas C.; Churakov, Sergey V.","Structural Evolution of Ag-LEV Zeolite upon Heating: An In Situ Single-Crystal X-ray Diffraction (SC-XRD) and X-ray Absorption Spectroscopy (XAS) Study.","ACS omega","2020","5","49","31774","31783","10.1021/acsomega.0c04455","","","0.71073","MoKα","","0.1254","0.0645","","","0.1685","0.1967","","","","","","0.908","","","","has coordinates","260415","2021-01-04","03:06:24",""
"4518282","13.2131","0.0003","13.2131","0.0003","23.2393","0.001","90","","90","","120","","3513.69","0.19","398","2","398","2","","","","","","","","3","R 3 m :H","R 3 -2""","160","Ag-levyne","","","- Ag13.82 O121.24 Si54 -","- Ag14.886 O127.62 Si54 -","- Ag14.886 O127.62 Si54 -","1","0.0555556","","Cametti, Georgia; Scheinost, Andreas C.; Churakov, Sergey V.","Structural Evolution of Ag-LEV Zeolite upon Heating: An In Situ Single-Crystal X-ray Diffraction (SC-XRD) and X-ray Absorption Spectroscopy (XAS) Study.","ACS omega","2020","5","49","31774","31783","10.1021/acsomega.0c04455","","","0.71073","MoKα","","0.085","0.0723","","","0.2013","0.2143","","","","","","1.113","","","","has coordinates","260415","2021-01-04","03:06:24",""
"4518283","13.3661","0.0004","13.3661","0.0004","22.6328","0.0008","90","","90","","120","","3501.7","0.19","323","2","323","2","","","","","","","","3","R -3 m :H","-R 3 2""","166","Ag-levyne","","","- Ag3.41 O46.34 Si18 -","- Ag3.606 O46.368 Si18 -","- Ag10.818 O139.104 Si54 -","3","0.0833333","","Cametti, Georgia; Scheinost, Andreas C.; Churakov, Sergey V.","Structural Evolution of Ag-LEV Zeolite upon Heating: An In Situ Single-Crystal X-ray Diffraction (SC-XRD) and X-ray Absorption Spectroscopy (XAS) Study.","ACS omega","2020","5","49","31774","31783","10.1021/acsomega.0c04455","","","0.71073","MoKα","","0.066","0.0597","","","0.1742","0.1805","","","","","","1.033","","","","has coordinates","260415","2021-01-04","03:06:24",""
"4518284","12.943","0.003","12.943","0.003","23.641","0.005","90","0.03","90","0.03","120","0.03","3429.8","1.7","296","2","296","2","","","","","","","","3","R 3 m :H","R 3 -2""","160","Ag-levyne","","","- Ag7.8 O108 Si54 -","- Ag7.728 O108 Si54 -","- Ag7.728 O108 Si54 -","1","0.0555556","","Cametti, Georgia; Scheinost, Andreas C.; Churakov, Sergey V.","Structural Evolution of Ag-LEV Zeolite upon Heating: An In Situ Single-Crystal X-ray Diffraction (SC-XRD) and X-ray Absorption Spectroscopy (XAS) Study.","ACS omega","2020","5","49","31774","31783","10.1021/acsomega.0c04455","","","0.71073","MoKα","","0.1092","0.0812","","","0.224","0.2508","","","","","","1.101","","","","has coordinates","260415","2021-01-04","03:06:24",""
"4518285","12.955","0.003","12.955","0.003","23.623","0.005","90","0.03","90","0.03","120","0.03","3433.5","1.7","296","2","296","2","","","","","","","","3","R 3 m :H","R 3 -2""","160","Ag-levyne","","","- Ag7.98 O108 Si54 -","- Ag8.511 O108 Si54 -","- Ag8.511 O108 Si54 -","1","0.0555556","","Cametti, Georgia; Scheinost, Andreas C.; Churakov, Sergey V.","Structural Evolution of Ag-LEV Zeolite upon Heating: An In Situ Single-Crystal X-ray Diffraction (SC-XRD) and X-ray Absorption Spectroscopy (XAS) Study.","ACS omega","2020","5","49","31774","31783","10.1021/acsomega.0c04455","","","0.71073","MoKα","","0.1198","0.0758","","","0.2118","0.2416","","","","","","1.092","","","","has coordinates","260415","2021-01-04","03:06:24",""
"4518286","13.115","0.0004","13.115","0.0004","23.4675","0.0013","90","","90","","120","","3495.7","0.2","423","2","423","2","","","","","","","","3","R 3 m :H","R 3 -2""","160","Ag-levyne","","","- Ag11.41 O112.23 Si54 -","- Ag11.484 O112.77 Si54 -","- Ag11.484 O112.77 Si54 -","1","0.0555556","","Cametti, Georgia; Scheinost, Andreas C.; Churakov, Sergey V.","Structural Evolution of Ag-LEV Zeolite upon Heating: An In Situ Single-Crystal X-ray Diffraction (SC-XRD) and X-ray Absorption Spectroscopy (XAS) Study.","ACS omega","2020","5","49","31774","31783","10.1021/acsomega.0c04455","","","0.71073","MoKα","","0.0946","0.0862","","","0.2407","0.2491","","","","","","1.126","","","","has coordinates","260415","2021-01-04","03:06:24",""
"4518294","10.5561","0.0008","23.972","0.002","13.3418","0.0011","90","","92.033","0.002","90","","3374","0.5","293","2","293","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C32 H32 Br2 Cl2 N4 O Pd -","- C32 H30 Br2 Cl2 N4 O Pd -","- C128 H120 Br8 Cl8 N16 O4 Pd4 -","4","1","","Mansour, Waseem; Fettouhi, Mohammed; El Ali, Bassam","Regioselective Synthesis of Chromones via Cyclocarbonylative Sonogashira Coupling Catalyzed by Highly Active Bridged-Bis(N-Heterocyclic Carbene)Palladium(II) Complexes.","ACS omega","2020","5","50","32515","32529","10.1021/acsomega.0c04706","","","0.71073","MoKα","","0.1308","0.0716","","","0.1905","0.2298","","","","","","1.112","","","","has coordinates,has disorder","260413","2021-01-04","03:05:42",""
"4518295","16.2158","0.0006","18.1879","0.0007","9.2992","0.0004","90","","90","","90","","2742.63","0.19","298","2","298","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C26 H35 Br2 N5 O Pd -","- C26 H31 Br2 N5 O Pd -","- C104 H124 Br8 N20 O4 Pd4 -","4","0.5","","Mansour, Waseem; Fettouhi, Mohammed; El Ali, Bassam","Regioselective Synthesis of Chromones via Cyclocarbonylative Sonogashira Coupling Catalyzed by Highly Active Bridged-Bis(N-Heterocyclic Carbene)Palladium(II) Complexes.","ACS omega","2020","5","50","32515","32529","10.1021/acsomega.0c04706","","","0.71073","MoKα","","0.0473","0.0342","","","0.108","0.1299","","","","","","0.989","","","","has coordinates","260413","2021-01-04","03:05:43",""
"4518296","6.568","0.0003","11.6282","0.0005","23.0177","0.0009","75.5708","0.0013","83.3292","0.0016","78.5791","0.0015","1664.65","0.12","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H20 O4 Rh -","- C16 H20 O4 Rh -","- C64 H80 O16 Rh4 -","4","2","","Rumyantcev, Roman V.; Fukin, Georgy K.; Romanenko, Galina V.; Teplova, Irina A.; Bubnov, Michael P.; Cherkasov, Vladimir K.","Single Crystal X-ray Diffraction Studies of Two Polymorphic Modifications of the Dicarbonyl-<i>o</i>-Semiquinonato Rhodium Complex at Different Temperatures. Destruction Stimulated by Cooling Versus Stability.","ACS omega","2020","5","50","32792","32799","10.1021/acsomega.0c05344","","","0.71073","MoKα","","0.0763","0.0408","","","0.096","0.112","","","","","","1.015","","","","has coordinates","287879","2023-11-30","09:45:39",""
"4518297","6.5588","0.0005","11.5965","0.0009","22.9328","0.0019","75.503","0.002","83.173","0.004","78.623","0.003","1651.1","0.2","240","2","240","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H20 O4 Rh -","- C16 H20 O4 Rh -","- C64 H80 O16 Rh4 -","4","2","","Rumyantcev, Roman V.; Fukin, Georgy K.; Romanenko, Galina V.; Teplova, Irina A.; Bubnov, Michael P.; Cherkasov, Vladimir K.","Single Crystal X-ray Diffraction Studies of Two Polymorphic Modifications of the Dicarbonyl-<i>o</i>-Semiquinonato Rhodium Complex at Different Temperatures. Destruction Stimulated by Cooling Versus Stability.","ACS omega","2020","5","50","32792","32799","10.1021/acsomega.0c05344","","","0.71073","MoKα","","0.0729","0.0468","","","0.1207","0.1351","","","","","","1.056","","","","has coordinates","287879","2023-11-30","09:45:39",""
"4518298","6.5414","0.0003","11.5478","0.0004","22.833","0.0008","75.2496","0.0011","82.6125","0.0013","78.6305","0.0013","1629.61","0.11","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H20 O4 Rh -","- C16 H20 O4 Rh -","- C64 H80 O16 Rh4 -","4","2","","Rumyantcev, Roman V.; Fukin, Georgy K.; Romanenko, Galina V.; Teplova, Irina A.; Bubnov, Michael P.; Cherkasov, Vladimir K.","Single Crystal X-ray Diffraction Studies of Two Polymorphic Modifications of the Dicarbonyl-<i>o</i>-Semiquinonato Rhodium Complex at Different Temperatures. Destruction Stimulated by Cooling Versus Stability.","ACS omega","2020","5","50","32792","32799","10.1021/acsomega.0c05344","","","0.71073","MoKα","","0.0535","0.035","","","0.0825","0.0914","","","","","","1.047","","","","has coordinates","287879","2023-11-30","09:45:39",""
"4518299","6.5356","0.0003","11.5341","0.0004","22.7933","0.0008","75.1696","0.001","82.3422","0.0013","78.4758","0.0012","1621.36","0.11","170","2","170","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H20 O4 Rh -","- C16 H20 O4 Rh -","- C64 H80 O16 Rh4 -","4","2","","Rumyantcev, Roman V.; Fukin, Georgy K.; Romanenko, Galina V.; Teplova, Irina A.; Bubnov, Michael P.; Cherkasov, Vladimir K.","Single Crystal X-ray Diffraction Studies of Two Polymorphic Modifications of the Dicarbonyl-<i>o</i>-Semiquinonato Rhodium Complex at Different Temperatures. Destruction Stimulated by Cooling Versus Stability.","ACS omega","2020","5","50","32792","32799","10.1021/acsomega.0c05344","","","0.71073","MoKα","","0.0448","0.0332","","","0.0802","0.0865","","","","","","1.073","","","","has coordinates","287879","2023-11-30","09:45:39",""
"4518300","6.5315","0.0003","11.5254","0.0004","22.771","0.0008","75.117","0.0011","82.1363","0.0013","78.3126","0.0013","1615.78","0.11","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H20 O4 Rh -","- C16 H20 O4 Rh -","- C64 H80 O16 Rh4 -","4","2","","Rumyantcev, Roman V.; Fukin, Georgy K.; Romanenko, Galina V.; Teplova, Irina A.; Bubnov, Michael P.; Cherkasov, Vladimir K.","Single Crystal X-ray Diffraction Studies of Two Polymorphic Modifications of the Dicarbonyl-<i>o</i>-Semiquinonato Rhodium Complex at Different Temperatures. Destruction Stimulated by Cooling Versus Stability.","ACS omega","2020","5","50","32792","32799","10.1021/acsomega.0c05344","","","0.71073","MoKα","","0.0423","0.0331","","","0.0822","0.0878","","","","","","1.077","","","","has coordinates","287879","2023-11-30","09:45:39",""
"4518301","6.5139","0.0005","11.5037","0.0008","22.7147","0.0015","75.0113","0.0018","81.627","0.002","77.828","0.002","1599.7","0.2","110","2","110","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H20 O4 Rh -","- C16 H20 O4 Rh -","- C64 H80 O16 Rh4 -","4","2","","Rumyantcev, Roman V.; Fukin, Georgy K.; Romanenko, Galina V.; Teplova, Irina A.; Bubnov, Michael P.; Cherkasov, Vladimir K.","Single Crystal X-ray Diffraction Studies of Two Polymorphic Modifications of the Dicarbonyl-<i>o</i>-Semiquinonato Rhodium Complex at Different Temperatures. Destruction Stimulated by Cooling Versus Stability.","ACS omega","2020","5","50","32792","32799","10.1021/acsomega.0c05344","","","0.71073","MoKα","","0.0637","0.037","","","0.0686","0.0762","","","","","","1.053","","","","has coordinates","287879","2023-11-30","09:45:39",""
"4518302","6.6304","0.0002","21.0748","0.0007","23.9202","0.0007","90","","90.003","0.0013","90","","3342.47","0.18","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H20 O4 Rh -","- C16 H20 O4 Rh -","- C128 H160 O32 Rh8 -","8","2","","Rumyantcev, Roman V.; Fukin, Georgy K.; Romanenko, Galina V.; Teplova, Irina A.; Bubnov, Michael P.; Cherkasov, Vladimir K.","Single Crystal X-ray Diffraction Studies of Two Polymorphic Modifications of the Dicarbonyl-<i>o</i>-Semiquinonato Rhodium Complex at Different Temperatures. Destruction Stimulated by Cooling Versus Stability.","ACS omega","2020","5","50","32792","32799","10.1021/acsomega.0c05344","","","0.71073","MoKα","","0.1429","0.0537","","","0.1049","0.1326","","","","","","1.031","","","","has coordinates","287879","2023-11-30","09:45:39",""
"4518303","6.6058","0.0003","21.0338","0.0009","23.8461","0.001","90","","90.0345","0.0019","90","","3313.3","0.2","270","2","270","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H20 O4 Rh -","- C16 H20 O4 Rh -","- C128 H160 O32 Rh8 -","8","2","","Rumyantcev, Roman V.; Fukin, Georgy K.; Romanenko, Galina V.; Teplova, Irina A.; Bubnov, Michael P.; Cherkasov, Vladimir K.","Single Crystal X-ray Diffraction Studies of Two Polymorphic Modifications of the Dicarbonyl-<i>o</i>-Semiquinonato Rhodium Complex at Different Temperatures. Destruction Stimulated by Cooling Versus Stability.","ACS omega","2020","5","50","32792","32799","10.1021/acsomega.0c05344","","","0.71073","MoKα","","0.1535","0.0587","","","0.1067","0.1347","","","","","","1.033","","","","has coordinates","287879","2023-11-30","09:45:39",""
"4518304","6.5928","0.0004","21.0139","0.0011","23.8126","0.0012","90","","90.045","0.002","90","","3299","0.3","250","2","250","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H20 O4 Rh -","- C16 H20 O4 Rh -","- C128 H160 O32 Rh8 -","8","2","","Rumyantcev, Roman V.; Fukin, Georgy K.; Romanenko, Galina V.; Teplova, Irina A.; Bubnov, Michael P.; Cherkasov, Vladimir K.","Single Crystal X-ray Diffraction Studies of Two Polymorphic Modifications of the Dicarbonyl-<i>o</i>-Semiquinonato Rhodium Complex at Different Temperatures. Destruction Stimulated by Cooling Versus Stability.","ACS omega","2020","5","50","32792","32799","10.1021/acsomega.0c05344","","","0.71073","MoKα","","0.1544","0.0611","","","0.1089","0.1361","","","","","","1.03","","","","has coordinates","287879","2023-11-30","09:45:39",""
"4518305","6.5696","0.0004","20.9644","0.0011","23.7521","0.0013","90","","90.06","0.002","90","","3271.3","0.3","230","2","230","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H20 O4 Rh -","- C16 H20 O4 Rh -","- C128 H160 O32 Rh8 -","8","2","","Rumyantcev, Roman V.; Fukin, Georgy K.; Romanenko, Galina V.; Teplova, Irina A.; Bubnov, Michael P.; Cherkasov, Vladimir K.","Single Crystal X-ray Diffraction Studies of Two Polymorphic Modifications of the Dicarbonyl-<i>o</i>-Semiquinonato Rhodium Complex at Different Temperatures. Destruction Stimulated by Cooling Versus Stability.","ACS omega","2020","5","50","32792","32799","10.1021/acsomega.0c05344","","","0.71073","MoKα","","0.1438","0.0621","","","0.1216","0.1494","","","","","","1.033","","","","has coordinates","287879","2023-11-30","09:45:39",""
"4518306","6.5457","0.0006","15.7693","0.0012","16.544","0.0013","80.615","0.003","78.588","0.003","78.062","0.003","1624.4","0.2","210","2","210","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H20 O4 Rh -","- C16 H20 O4 Rh -","- C64 H80 O16 Rh4 -","4","2","","Rumyantcev, Roman V.; Fukin, Georgy K.; Romanenko, Galina V.; Teplova, Irina A.; Bubnov, Michael P.; Cherkasov, Vladimir K.","Single Crystal X-ray Diffraction Studies of Two Polymorphic Modifications of the Dicarbonyl-<i>o</i>-Semiquinonato Rhodium Complex at Different Temperatures. Destruction Stimulated by Cooling Versus Stability.","ACS omega","2020","5","50","32792","32799","10.1021/acsomega.0c05344","","","0.71073","MoKα","","0.1361","0.0786","","","0.2228","0.2574","","","","","","1.045","","","","has coordinates","287879","2023-11-30","09:45:39",""
"4518307","6.5348","0.0006","15.7451","0.0013","16.5205","0.0013","80.633","0.003","78.662","0.003","78.214","0.004","1618.1","0.2","190","2","190","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H20 O4 Rh -","- C16 H20 O4 Rh -","- C64 H80 O16 Rh4 -","4","2","","Rumyantcev, Roman V.; Fukin, Georgy K.; Romanenko, Galina V.; Teplova, Irina A.; Bubnov, Michael P.; Cherkasov, Vladimir K.","Single Crystal X-ray Diffraction Studies of Two Polymorphic Modifications of the Dicarbonyl-<i>o</i>-Semiquinonato Rhodium Complex at Different Temperatures. Destruction Stimulated by Cooling Versus Stability.","ACS omega","2020","5","50","32792","32799","10.1021/acsomega.0c05344","","","0.71073","MoKα","","0.1366","0.0865","","","0.2461","0.2808","","","","","","1.06","","","","has coordinates","287879","2023-11-30","09:45:39",""
"4518308","6.5234","0.0006","15.7418","0.0013","16.5027","0.0013","80.546","0.003","78.61","0.003","78.031","0.003","1611.7","0.2","170","2","170","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H20 O4 Rh -","- C16 H20 O4 Rh -","- C64 H80 O16 Rh4 -","4","2","","Rumyantcev, Roman V.; Fukin, Georgy K.; Romanenko, Galina V.; Teplova, Irina A.; Bubnov, Michael P.; Cherkasov, Vladimir K.","Single Crystal X-ray Diffraction Studies of Two Polymorphic Modifications of the Dicarbonyl-<i>o</i>-Semiquinonato Rhodium Complex at Different Temperatures. Destruction Stimulated by Cooling Versus Stability.","ACS omega","2020","5","50","32792","32799","10.1021/acsomega.0c05344","","","0.71073","MoKα","","0.1253","0.0795","","","0.2308","0.2611","","","","","","1.073","","","","has coordinates","287879","2023-11-30","09:45:39",""
"4518309","6.519","0.0006","15.7324","0.0013","16.4956","0.0013","80.55","0.003","78.591","0.003","78.079","0.003","1609.1","0.2","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H20 O4 Rh -","- C16 H20 O4 Rh -","- C64 H80 O16 Rh4 -","4","2","","Rumyantcev, Roman V.; Fukin, Georgy K.; Romanenko, Galina V.; Teplova, Irina A.; Bubnov, Michael P.; Cherkasov, Vladimir K.","Single Crystal X-ray Diffraction Studies of Two Polymorphic Modifications of the Dicarbonyl-<i>o</i>-Semiquinonato Rhodium Complex at Different Temperatures. Destruction Stimulated by Cooling Versus Stability.","ACS omega","2020","5","50","32792","32799","10.1021/acsomega.0c05344","","","0.71073","MoKα","","0.1256","0.0816","","","0.2297","0.2571","","","","","","1.055","","","","has coordinates","287879","2023-11-30","09:45:39",""
"4518310","6.5067","0.0005","15.7132","0.0011","16.4758","0.0012","80.514","0.003","78.597","0.003","78.097","0.003","1602.2","0.2","130","2","130","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H20 O4 Rh -","- C16 H20 O4 Rh -","- C64 H80 O16 Rh4 -","4","2","","Rumyantcev, Roman V.; Fukin, Georgy K.; Romanenko, Galina V.; Teplova, Irina A.; Bubnov, Michael P.; Cherkasov, Vladimir K.","Single Crystal X-ray Diffraction Studies of Two Polymorphic Modifications of the Dicarbonyl-<i>o</i>-Semiquinonato Rhodium Complex at Different Temperatures. Destruction Stimulated by Cooling Versus Stability.","ACS omega","2020","5","50","32792","32799","10.1021/acsomega.0c05344","","","0.71073","MoKα","","0.1181","0.0789","","","0.1999","0.2226","","","","","","1.077","","","","has coordinates","287879","2023-11-30","09:45:39",""
"4518311","6.4984","0.0005","15.701","0.0011","16.4654","0.0012","80.51","0.003","78.607","0.003","78.086","0.003","1597.9","0.2","110","2","110","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H20 O4 Rh -","- C16 H20 O4 Rh -","- C64 H80 O16 Rh4 -","4","2","","Rumyantcev, Roman V.; Fukin, Georgy K.; Romanenko, Galina V.; Teplova, Irina A.; Bubnov, Michael P.; Cherkasov, Vladimir K.","Single Crystal X-ray Diffraction Studies of Two Polymorphic Modifications of the Dicarbonyl-<i>o</i>-Semiquinonato Rhodium Complex at Different Temperatures. Destruction Stimulated by Cooling Versus Stability.","ACS omega","2020","5","50","32792","32799","10.1021/acsomega.0c05344","","","0.71073","MoKα","","0.1177","0.0816","","","0.2193","0.2425","","","","","","1.035","","","","has coordinates","287879","2023-11-30","09:45:39",""
"4518312","6.4946","0.0005","15.6923","0.0011","16.4564","0.0011","80.465","0.003","78.618","0.003","78.041","0.003","1594.8","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H20 O4 Rh -","- C16 H20 O4 Rh -","- C64 H80 O16 Rh4 -","4","2","","Rumyantcev, Roman V.; Fukin, Georgy K.; Romanenko, Galina V.; Teplova, Irina A.; Bubnov, Michael P.; Cherkasov, Vladimir K.","Single Crystal X-ray Diffraction Studies of Two Polymorphic Modifications of the Dicarbonyl-<i>o</i>-Semiquinonato Rhodium Complex at Different Temperatures. Destruction Stimulated by Cooling Versus Stability.","ACS omega","2020","5","50","32792","32799","10.1021/acsomega.0c05344","","","0.71073","MoKα","","0.1063","0.0799","","","0.2238","0.2456","","","","","","1.062","","","","has coordinates","287879","2023-11-30","09:45:39",""
"4518313","6.6281","0.0002","21.0702","0.0006","23.9189","0.0007","90","","90.0073","0.0013","90","","3340.4","0.17","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H20 O4 Rh -","- C16 H20 O4 Rh -","- C128 H160 O32 Rh8 -","8","2","","Rumyantcev, Roman V.; Fukin, Georgy K.; Romanenko, Galina V.; Teplova, Irina A.; Bubnov, Michael P.; Cherkasov, Vladimir K.","Single Crystal X-ray Diffraction Studies of Two Polymorphic Modifications of the Dicarbonyl-<i>o</i>-Semiquinonato Rhodium Complex at Different Temperatures. Destruction Stimulated by Cooling Versus Stability.","ACS omega","2020","5","50","32792","32799","10.1021/acsomega.0c05344","","","0.71073","MoKα","","0.1455","0.0529","","","0.104","0.1346","","","","","","1.014","","","","has coordinates","287879","2023-11-30","09:45:39",""
"4518317","5.7103","0.0001","14.1241","0.0004","21.931","0.0006","90","","90","","90","","1768.8","0.08","125","2","125","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","(+)-10r","","","- C20 H21 N3 O2 -","- C20 H21 N3 O2 -","- C80 H84 N12 O8 -","4","1","","Porter, Matthew R.; Xiao, Haiyan; Maity, Sanjay; Vail, Nora; Smith, Sylvia B.; Topczewski, Joseph J.","Enhanced Affinity for 3-Amino-Chromane-Derived σ<sub>1</sub> Receptor Ligands.","ACS omega","2020","5","50","32724","32737","10.1021/acsomega.0c05117","","","0.71073","MoKα","","0.0436","0.0377","","","0.116","0.1223","","","","","","0.958","","","","has coordinates","301843","2025-08-21","01:59:40",""
"4518318","22.1472","0.0019","6.7744","0.0006","11.9744","0.001","90","","113.721","0.003","90","","1644.8","0.2","125","2","125","2","","","","","","","","5","C 1 2 1","C 2y","5","(+)-3e","","","- C19 H20 Cl N O2 -","- C19 H20 Cl N O2 -","- C76 H80 Cl4 N4 O8 -","4","1","","Porter, Matthew R.; Xiao, Haiyan; Maity, Sanjay; Vail, Nora; Smith, Sylvia B.; Topczewski, Joseph J.","Enhanced Affinity for 3-Amino-Chromane-Derived σ<sub>1</sub> Receptor Ligands.","ACS omega","2020","5","50","32724","32737","10.1021/acsomega.0c05117","","","0.71073","MoKα","","0.0514","0.037","","","0.0794","0.0857","","","","","","1.03","","","","has coordinates","301843","2025-08-21","01:59:40",""
"4518323","38.8146","0.0015","38.8146","0.0015","11.1146","0.0004","90","","90","","120","","14501.6","0.9","273","2","273","2","","","","","","","","4","R 3 :H","R 3","146","","","","- C414 H204 O232 Tb30 -","- C414 H162 O232.5 Tb30 -","- C414 H162 O232.5 Tb30 -","1","0.111111","","Chai, Hong-mei; Zhang, Gang-qiang; Jiao, Chun-xia; Ren, Yi-xia; Gao, Lou-jun","A Multifunctional Tb-MOF Detector for H2O2, Fe3+, Cr2O72‒, and TPA Explosive Featuring Coexistence of Binuclear and Tetranuclear Clusters","ACS Omega","2020","5","51","33039","33046","10.1021/acsomega.0c04526","","","0.71073","MoKα","","0.0351","0.034","","","0.1143","0.1153","","","","","","1.032","","","","has coordinates","260410","2021-01-04","03:04:12",""
"4518324","11.414","0.0014","10.9106","0.0009","9.0833","0.0011","90","","100.36","0.012","90","","1112.7","0.2","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H8 N4 O4 -","- C11 H8 N4 O4 -","- C44 H32 N16 O16 -","4","1","","Obydennov, Dmitrii L.; Simbirtseva, Alena E.; Piksin, Sergey E.; Sosnovskikh, Vyacheslav Y.","2,6-Dicyano-4-pyrone as a Novel and Multifarious Building Block for the Synthesis of 2,6-Bis(hetaryl)-4-pyrones and 2,6-Bis(hetaryl)-4-pyridinols","ACS Omega","2020","5","51","33406","33420","10.1021/acsomega.0c05357","","x-ray","0.71073","MoKα","","0.1361","0.0704","","","0.1705","0.2384","","","","","","1.047","","","","has coordinates","301843","2025-08-21","01:59:40",""
"4518424","9.8183","0.0006","10.6368","0.0005","12.0379","0.0006","90","","100.785","0.002","90","","1234.98","0.11","161","2","161","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H16 Br4 Cu N2 O2 -","- C26 H16 Br4 Cu N2 O2 -","- C52 H32 Br8 Cu2 N4 O4 -","2","0.5","","Das, Manik; Mukherjee, Somali; Brandao, Paula; Seth, Saikat Kumar; Giri, Santanab; Mati, Soumya Sundar; Samanta, Bidhan Chandra; Laha, Soumik; Maity, Tithi","Active Bromoaniline–Aldehyde Conjugate Systems and Their Complexes as Versatile Sensors of Multiple Cations with Logic Formulation and Efficient DNA/HSA-Binding Efficacy: Combined Experimental and Theoretical Approach","ACS Omega","2021","","","","","10.1021/acsomega.0c05189","","","0.71073","MoKα","","0.0713","0.0538","","","0.139","0.1498","","","","","","1.047","","","","has coordinates","301843","2025-08-21","01:59:40",""
"4518425","21.738","0.003","9.0322","0.0014","11.888","0.0018","90","","96.105","0.007","90","","2320.9","0.6","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C26 H18 Br2 N2 O2 Zn -","- C26 H18 Br2 N2 O2 Zn -","- C104 H72 Br8 N8 O8 Zn4 -","4","0.5","","Das, Manik; Mukherjee, Somali; Brandao, Paula; Seth, Saikat Kumar; Giri, Santanab; Mati, Soumya Sundar; Samanta, Bidhan Chandra; Laha, Soumik; Maity, Tithi","Active Bromoaniline–Aldehyde Conjugate Systems and Their Complexes as Versatile Sensors of Multiple Cations with Logic Formulation and Efficient DNA/HSA-Binding Efficacy: Combined Experimental and Theoretical Approach","ACS Omega","2021","","","","","10.1021/acsomega.0c05189","","","0.71073","MoKα","","0.0717","0.0503","","","0.1574","0.1726","","","","","","1.065","","","","has coordinates","301843","2025-08-21","01:59:40",""
"4518477","6.03","0.03","30.28","0.16","11.18","0.06","90","","104.36","0.05","90","","1978","18","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H16 Cl F2 N3 O4 -","- C21 H16 Cl F2 N3 O4 -","- C84 H64 Cl4 F8 N12 O16 -","4","1","","Konduri, Srihari; Bhargavi, Dodda; Prashanth, Jyothi; Krishna, Vagolu Siva; Sriram, Dharmarajan; Rao, Koya Prabhakara","Design and Synthesis of ""Chloropicolinate Amides and Urea Derivatives"" as Novel Inhibitors for <i>Mycobacterium tuberculosis</i>.","ACS omega","2021","6","2","1657","1667","10.1021/acsomega.0c05690","","","0.71073","MoKα","","0.1609","0.0739","","","0.1969","0.2447","","","","","","1.027","","","","has coordinates","301843","2025-08-21","01:59:40",""
"4518478","19.05","0.003","10.8747","0.0014","19.747","0.003","90","","90","","90","","4090.8","1","273","2","273","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C20 H14 Cl F3 N4 O3 -","- C20 H14 Cl F3 N4 O3 -","- C160 H112 Cl8 F24 N32 O24 -","8","1","","Konduri, Srihari; Bhargavi, Dodda; Prashanth, Jyothi; Krishna, Vagolu Siva; Sriram, Dharmarajan; Rao, Koya Prabhakara","Design and Synthesis of ""Chloropicolinate Amides and Urea Derivatives"" as Novel Inhibitors for <i>Mycobacterium tuberculosis</i>.","ACS omega","2021","6","2","1657","1667","10.1021/acsomega.0c05690","","","0.71073","MoKα","","0.1055","0.0524","","","0.1091","0.1323","","","","","","1.01","","","","has coordinates","301843","2025-08-21","01:59:40",""
"4518479","11.3899","0.0014","14.5663","0.0015","6.6853","0.0006","90","","90","","90","","1109.1","0.2","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C8 H10 Cu N5 O4 -","- C8 H10 Cu N5 O4 -","- C32 H40 Cu4 N20 O16 -","4","1","","Wang, Ying; Gong, Shuang-Shuang; Liu, Yue; Cheng, Lin; Li, Shuang-Shuang; Zhang, Ying; Cui, Yukun; Liang, Chenlu; Tang, Li; Ren, Peng; Fang, Yu; Day, Gregory S.","SC-SC Anion-Assisted Linker Exchange within a Three-Dimensional Cu(II)-Triazole Framework: A Luminescent Probe for S<sup>2</sup>.","ACS omega","2021","6","2","1266","1272","10.1021/acsomega.0c04676","","","0.71073","MoKα","","0.0604","0.0436","","","0.0948","0.0987","","","","","","1.003","","","","has coordinates","261422","2021-02-03","21:03:20",""
"4518480","12.097","0.0012","7.7388","0.0008","15.2512","0.0015","90","","98.357","0.004","90","","1412.6","0.2","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","(13R,15aS,16S,111R,111aR,2S)-111,34,2-trihydroxy-56-methoxy-12- methyl-11,12,13,14,15a,16-hexahydro-111H-4,7-dioxa-1(3,6)-3,11a- epidithiooxepino[3',4':4,5]pyrrolo[1,2-a]pyrazina-3,5(1,3)- dibenzenacycloheptaphane-11,14,6-trione","","- C29 H30 N2 O12 S2 -","- C29 H30 N2 O12 S2 -","- C58 H60 N4 O24 S4 -","2","1","","Oberhofer, Martina; Wackerlig, Judith; Zehl, Martin; Büyük, Havva; Cao, Jia Jian; Prado-Roller, Alexander; Urban, Ernst; Zotchev, Sergey B.","Endophytic <i>Akanthomyces</i> sp. LN303 from Edelweiss Produces Emestrin and Two New 2-Hydroxy-4 Pyridone Alkaloids.","ACS omega","2021","6","3","2184","2191","10.1021/acsomega.0c05472","","","0.71073","MoKα","","0.1094","0.0609","","","0.1169","0.1403","","","","","","1.031","","","","has coordinates","301843","2025-08-21","01:59:40",""
"4518481","10.7161","0.0004","20.8498","0.001","6.5316","0.0002","90","","90","","90","","1459.35","0.1","297","","297","","","","","","","","","5","P n n a","-P 2a 2bc","52","Potassium Vanadium Phosphate Hydrate","tripotassium trivanadium tetraphosphate monohydrate","","- H2 K3 O17 P4 V3 -","- H2 K3 O17 P4 V3 -","- H8 K12 O68 P16 V12 -","4","0.5","","Jenkins, Tristram; Alarco, Jose A.; Mackinnon, Ian D. R.","Synthesis and Characterization of a Novel Hydrated Layered Vanadium(III) Phosphate Phase K<sub>3</sub>V<sub>3</sub>(PO<sub>4</sub>)<sub>4</sub>·H<sub>2</sub>O: A Functional Cathode Material for Potassium-Ion Batteries.","ACS omega","2021","6","3","1917","1929","10.1021/acsomega.0c04675","powder diffraction","","1.54056","CuKα~1~","","","","","","","","","0.02918","1.08","","","","","","","has coordinates","261424","2021-02-03","21:04:46",""
"4518494","9.13","0.005","10.005","0.005","13.765","0.006","92.986","0.017","101.29","0.02","107.468","0.018","1167.9","1","298","","298","","","","","","","","","6","P -1","-P 1","2","","","","- C26 H23 Au Cl Fe2 P -","- C26 H23 Au Cl Fe2 P -","- C52 H46 Au2 Cl2 Fe4 P2 -","2","1","","Hu, Hao; Ichiryu, Hiroki; Nakajima, Kiyohiko; Ogasawara, Masamichi","Estimating Effective Steric and Electronic Impacts of a Ferrocenyl Group in Organophosphines","ACS Omega","2021","6","8","5981","5989","10.1021/acsomega.1c00307","","","0.71075","MoKα","","0.0462","0.0406","","","0.1011","0.1042","","","","","","1.045","","","","has coordinates","262441","2021-03-04","02:52:24",""
"4518495","10.872","0.005","11.237","0.005","11.91","0.005","65.276","0.018","72.47","0.02","73.215","0.017","1237.8","1","298","","298","","","","","","","","","7","P -1","-P 1","2","","","","- C27 H23 Au Cl Fe2 O2 P -","- C27 H23 Au Cl Fe2 O2 P -","- C54 H46 Au2 Cl2 Fe4 O4 P2 -","2","1","","Hu, Hao; Ichiryu, Hiroki; Nakajima, Kiyohiko; Ogasawara, Masamichi","Estimating Effective Steric and Electronic Impacts of a Ferrocenyl Group in Organophosphines","ACS Omega","2021","6","8","5981","5989","10.1021/acsomega.1c00307","","","0.71075","MoKα","","0.05","0.0454","","","0.1206","0.1225","","","","","","1.111","","","","has coordinates","262441","2021-03-04","02:52:24",""
"4518496","18.102","0.004","14.686","0.004","25.322","0.005","90","","109.296","0.01","90","","6354","3","298","","298","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C31 H28 Au Cl4 Fe3 P -","- C31 H28 Au Cl4 Fe3 P -","- C248 H224 Au8 Cl32 Fe24 P8 -","8","1","","Hu, Hao; Ichiryu, Hiroki; Nakajima, Kiyohiko; Ogasawara, Masamichi","Estimating Effective Steric and Electronic Impacts of a Ferrocenyl Group in Organophosphines","ACS Omega","2021","6","8","5981","5989","10.1021/acsomega.1c00307","","","0.71075","MoKα","","0.0528","0.0427","","","0.1055","0.1102","","","","","","1.071","","","","has coordinates","262441","2021-03-04","02:52:24",""
"4518497","19.1751","0.0019","9.6598","0.001","13.3995","0.0013","90","","120.229","0.0014","90","","2144.5","0.4","100","","100","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C22 H25 N3 O5 -","- C22 H25 N3 O5 -","- C88 H100 N12 O20 -","4","1","","Wang, Jingdong; Liu, Yuxin; Wei, Zhonglin; Cao, Jungang; Liang, Dapeng; Lin, Yingjie; Duan, Hai-feng","Novel Chiral Thiourea Derived from Hydroquinine and l-Phenylglycinol: An Effective Catalyst for Enantio- and Diastereoselective Aza-Henry Reaction","ACS Omega","2021","6","8","5812","5824","10.1021/acsomega.0c06233","","","0.71073","MoKα","","0.0496","0.0452","","","0.1031","0.1064","","","","","","1.049","","","","has coordinates","302124","2025-09-12","17:46:23",""
"4518498","15.1676","0.0012","16.5831","0.0013","17.0312","0.0013","106.676","0.002","95.767","0.003","116.781","0.002","3528.7","0.5","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C82 H68 Cl4 N4 O8 -","- C82 H68 Cl4 N4 O8 -","- C164 H136 Cl8 N8 O16 -","2","1","","Wang, Jie; Shi, Dong","Correlation between the Intrinsic Photophysical Properties of the Spirobifluorene-Derived Monomer","ACS Omega","2021","6","8","5972","5980","10.1021/acsomega.1c00262","","","0.71073","MoKα","","0.1552","0.0751","","","0.1813","0.2504","","","","","","1.034","","","","has coordinates,has disorder","301843","2025-08-21","01:59:40",""
"4518499","13.1368","0.001","16.167","0.0012","16.9132","0.0012","75.115","0.002","85.626","0.002","75.727","0.003","3364.1","0.4","140","2","140","2","","","","","","","","5","P -1","-P 1","2","","","","- C168 H141 Cl N8 O16 -","- C168 H141 Cl N8 O16 -","- C168 H141 Cl N8 O16 -","1","0.5","","Wang, Jie; Shi, Dong","Correlation between the Intrinsic Photophysical Properties of the Spirobifluorene-Derived Monomer","ACS Omega","2021","6","8","5972","5980","10.1021/acsomega.1c00262","","","0.71073","MoKα","","0.1187","0.0653","","","0.1298","0.1782","","","","","","1.044","","","","has coordinates,has disorder","262442","2021-03-04","02:52:39",""
"4518500","13.8322","0.0004","14.8314","0.0005","17.2503","0.0006","86.082","0.001","70.408","0.001","80.111","0.001","3284.27","0.19","308","2","308","2","","","","","","","","4","P -1","-P 1","2","","","","- C81 H68 N4 O8 -","- C81 H68 N4 O8 -","- C162 H136 N8 O16 -","2","1","","Wang, Jie; Shi, Dong","Correlation between the Intrinsic Photophysical Properties of the Spirobifluorene-Derived Monomer","ACS Omega","2021","6","8","5972","5980","10.1021/acsomega.1c00262","","","0.71073","MoKα","","0.1305","0.0646","","","0.1702","0.2197","","","","","","1.031","","","","has coordinates","301843","2025-08-21","01:59:40",""
"4518505","4.6993","0.0005","10.038","0.001","30.155","0.003","90","","90","","90","","1422.5","0.3","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","HMBA","","","- C16 H17 N O5 -","- C16 H17 N O5 -","- C64 H68 N4 O20 -","4","1","","Kamaal, Saima; Mehkoom, Mohd; Ali, Arif; Afzal, S. M.; Alam, Mohammad Jane; Ahmad, Shabbir; Ahmad, Musheer","Potential Third-Order Nonlinear Optical Response Facilitated by Intramolecular Charge Transfer in a Simple Schiff Base Molecule: Experimental and Theoretical Exploration","ACS Omega","2021","","","","","10.1021/acsomega.0c05557","","","0.71073","MoKα","","0.0621","0.0464","","","0.1023","0.1121","","","","","","1.08","","","","has coordinates","262238","2021-02-25","22:37:33",""
"4518528","8.0424","0.00005","13.88872","0.00007","25.03583","0.00014","90","","90","","90","","2796.47","0.03","100.01","0.1","100.01","0.1","","","","","","","Lindera aggregata","3","P 21 21 21","P 2ac 2ab","19","","Linderaggrenolide A","","- C31 H38 O8 -","- C31 H38 O8 -","- C124 H152 O32 -","4","1","","Liu, Xin; Fu, Jing; Yang, Ji; Huang, Ancheng C.; Li, Run-Feng; Bai, Li-Ping; Liu, Liang; Jiang, Zhi-Hong; Zhu, Guo-Yuan","Linderaggrenolides A–N, Oxygen-Conjugated Sesquiterpenoid Dimers from the Roots of Lindera aggregata","ACS Omega","2021","6","8","5898","5909","10.1021/acsomega.0c06349","","x-ray","1.54184","CuKα","","0.0311","0.0307","","","0.0787","0.079","","","","","","1.058","","","","has coordinates","301843","2025-08-21","01:59:41",""
"4518529","10.0138","0.0008","12.6312","0.0009","14.498","0.0014","101.619","0.007","100.574","0.007","101.945","0.006","1708.1","0.3","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 Fe2 O8 P S2 -","- C33 Fe2 O8 P S2 -","- C66 Fe4 O16 P2 S4 -","2","1","","Pandey, Indresh Kumar; Agarwal, Tashika; Mobin, Shaikh M.; Stein, Matthias; Kaur-Ghumaan, Sandeep","Switching Site Reactivity in Hydrogenase Model Systems by Introducing a Pendant Amine Ligand.","ACS omega","2021","6","6","4192","4203","10.1021/acsomega.0c04901","","","0.71073","MoKα","","0.104","0.066","","","0.1809","0.214","","","","","","1.033","","","","has coordinates","262413","2021-03-03","21:09:09",""
"4518530","11.3522","0.001","12.0516","0.0015","13.4728","0.0011","67.057","0.009","65.881","0.008","64.689","0.01","1468.2","0.3","150","","150","","","","","","","","","7","P -1","-P 1","2","","","","- C28.5 H18.5 Fe2 N O5 P S2 -","- C28.5 H18.5 Fe2 N O5 P S2 -","- C57 H37 Fe4 N2 O10 P2 S4 -","2","1","","Pandey, Indresh Kumar; Agarwal, Tashika; Mobin, Shaikh M.; Stein, Matthias; Kaur-Ghumaan, Sandeep","Switching Site Reactivity in Hydrogenase Model Systems by Introducing a Pendant Amine Ligand.","ACS omega","2021","6","6","4192","4203","10.1021/acsomega.0c04901","","","0.71073","MoKα","","0.1098","0.0645","","","0.1339","0.1589","","","","","","1.04","","","","has coordinates,has disorder","262414","2021-03-03","21:09:32",""
"4518531","10.1335","0.0003","29.5446","0.0006","16.6587","0.0004","90","","106.065","0.003","90","","4792.7","0.2","170","0.1","170","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C54 H52 Cl4 Co F N3 -","- C54 H52 Cl4 Co F N3 -","- C216 H208 Cl16 Co4 F4 N12 -","4","1","","Bariashir, Chantsalnyam; Zhang, Randi; Vignesh, Arumugam; Ma, Yanping; Liang, Tongling; Sun, Wen-Hua","Enhancing Ethylene Polymerization of <i>NNN</i>-Cobalt(II) Precatalysts Adorned with a Fluoro-substituent.","ACS omega","2021","6","6","4448","4460","10.1021/acsomega.0c05916","","x-ray","0.71073","MoKα","","0.0539","0.0409","","","0.0997","0.1054","","","","","","1.0217","","","","has coordinates","262415","2021-03-03","21:10:24",""
"4518532","21.7565","0.0016","14.1649","0.0009","16.2888","0.001","90","","111.466","0.008","90","","4671.7","0.6","170","0.1","170","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C50 H44 Cl2 Co F N3 -","- C50 H44 Cl2 Co F N3 -","- C200 H176 Cl8 Co4 F4 N12 -","4","1","","Bariashir, Chantsalnyam; Zhang, Randi; Vignesh, Arumugam; Ma, Yanping; Liang, Tongling; Sun, Wen-Hua","Enhancing Ethylene Polymerization of <i>NNN</i>-Cobalt(II) Precatalysts Adorned with a Fluoro-substituent.","ACS omega","2021","6","6","4448","4460","10.1021/acsomega.0c05916","","x-ray","0.71073","MoKα","","0.1094","0.0613","","","0.1525","0.1724","","","","","","0.991","","","","has coordinates","262415","2021-03-03","21:10:24",""
"4518534","38.486","0.006","38.486","0.006","11.122","0.003","90","","90","","120","","14267","5","296","2","296","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C138 H62 O61 Sm8 -","- C138 H62.0004 O61.0002 Sm7.9998 -","- C414 H186.001 O183.001 Sm23.9994 -","3","0.166667","","Zhang, Gang-Qiang; Gao, Lou-Jun; Chai, Hong-Mei; Ren, Yi-Xia","Novel Multifunctional Samarium-Organic Framework for Fluorescence Sensing of Ag<sup>+</sup>, MnO<sub>4</sub><sup>-</sup>, and Cimetidine and Electrochemical Sensing of <i>o</i>-Nitrophenol in Aqueous Solutions.","ACS omega","2021","6","10","6810","6816","10.1021/acsomega.0c05867","","","0.71073","MoKα","","0.0693","0.0661","","","0.1555","0.1574","","","","","","1.127","","","","has coordinates,has disorder","263586","2021-04-04","09:59:08",""
"4518540","12.7695","0.0003","11.3269","0.0002","23.2057","0.0006","90","","104.041","0.003","90","","3256.16","0.13","297","","297","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- Ba9 Cr4 S19 -","- Ba9 Cr4 S19 -","- Ba36 Cr16 S76 -","4","0.5","","Yan, Hong; Matsushita, Yoshitaka; Chikamatsu, Akira; Hasegawa, Tetsuya; Yamaura, Kazunari; Tsujimoto, Yoshihiro","Flux Crystal Growth, Crystal Structure, and Magnetic Properties of a Ternary Chromium Disulfide Ba<sub>9</sub>Cr<sub>4</sub>S<sub>19</sub> with Unusual Cr<sub>4</sub>S<sub>15</sub> Tetramer Units.","ACS omega","2021","6","10","6842","6847","10.1021/acsomega.0c06017","","x-ray","0.71073","MoKα","","0.0362","0.0257","","","0.0411","0.0431","","","","","","1.035","","","","has coordinates","263585","2021-04-04","09:58:54",""
"4518551","7.3043","0.0005","11.8154","0.0008","12.0064","0.0006","67.444","0.006","87.953","0.005","88.503","0.005","956.23","0.11","293","","293","","","","","","","","","4","P 1","P 1","1","-Epicatechin","(2R,3R)-2-(3,4-Dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol","","- C19 H21 N2 O10.5 -","- C19 H21 N2 O10.5 -","- C38 H42 N4 O21 -","2","2","","Budziak-Wieczorek, Iwona; Maciołek, Urszula","Synthesis and Characterization of a (−)-Epicatechin and Barbituric Acid Cocrystal: Single-Crystal X-ray Diffraction and Vibrational Spectroscopic Studies","ACS Omega","2021","6","12","8199","8209","10.1021/acsomega.0c06239","","","1.54184","CuKα","","0.067","0.0593","","","0.1554","0.1779","","","","","","1.08","","","","has coordinates","301843","2025-08-21","01:59:41",""
"4518569","32.0854","0.0018","16.6338","0.0007","18.7396","0.0011","90","","106.521","0.002","90","","9588.5","0.9","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Bis(3,5-dimethylpyrazole-1-carbonyl)hydrazine + ethanol-toluene solvents","","- C12 H16 N6 O2 -","- C12 H16 N6 O2 -","- C288 H384 N144 O48 -","24","3","","Glukhacheva, Vera S.; Il’yasov, Sergey G.; Kazantsev, Igor V.; Shestakova, Elena O.; Il’yasov, Dmitri S.; Eltsov, Ilia V.; Nefedov, Andrey A.; Gatilov, Yuri V.","New Reaction Products of Acetylacetone with Semicarbazide Derivatives","ACS Omega","2021","6","12","8637","8645","10.1021/acsomega.1c00518","","","0.71073","MoKα","","0.1097","0.0701","","","0.2211","0.2908","","","","","","1.093","","","","has coordinates","301843","2025-08-21","01:59:41",""
"4518574","7.5864","0.0004","12.9878","0.0007","21.6163","0.0012","90","","90","","90","","2129.9","0.2","296","2","296","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C18 H24 Cl2 N4 O Ru S -","- C18 H24 Cl2 N4 O Ru S -","- C72 H96 Cl8 N16 O4 Ru4 S4 -","4","1","","Karmakar, Jit; Nandy, Promita; Das, Saurabh; Bhattacharya, Debalina; Karmakar, Parimal; Bhattacharya, Samaresh","Utilization of Guanidine-Based Ancillary Ligands in Arene‒Ruthenium Complexes for Selective Cytotoxicity","ACS Omega","2021","6","12","8226","8238","10.1021/acsomega.0c06265","","","0.71073","MoKα","","0.0485","0.0452","","","0.1148","0.1175","","","","","","1.035","","","","has coordinates","263588","2021-04-04","09:59:35",""
"4518583","8.9744","0.0003","11.0999","0.0003","11.1627","0.0003","79.842","0.001","84.411","0.001","80.144","0.001","1075.8","0.05","170","","170","","","","","","","","","5","P -1","-P 1","2","","","","- C28 H29 N2 Ni4 O23.5 -","- C28 H29 N2 Ni4 O23.5 -","- C28 H29 N2 Ni4 O23.5 -","1","0.5","","Li, Shi-Fen; Wang, Quan; Li, Ye-Ping; Geng, Xiao; Zhao, LiJia; He, Mei; Du, Lin; Zhao, Qi-Hua","Different Phenomena in Magnetic/Electrical Properties of Co(II) and Ni(II) Isomorphous MOFs","ACS Omega","2021","","","","","10.1021/acsomega.1c00574","","","0.71073","MoKα","","0.0401","0.0335","","","0.0809","0.0853","","","","","","1.004","","","","has coordinates,has disorder","263370","2021-03-26","22:33:59",""
"4518584","8.8528","0.0002","11.1412","0.0003","11.3379","0.0003","78.961","0.001","83.955","0.001","81.296","0.001","1081.57","0.05","170","","170","","","","","","","","","5","P -1","-P 1","2","","","","- C31 H39 Co4 N3 O26 -","- C31 H39 Co4 N3 O26 -","- C31 H39 Co4 N3 O26 -","1","0.5","","Li, Shi-Fen; Wang, Quan; Li, Ye-Ping; Geng, Xiao; Zhao, LiJia; He, Mei; Du, Lin; Zhao, Qi-Hua","Different Phenomena in Magnetic/Electrical Properties of Co(II) and Ni(II) Isomorphous MOFs","ACS Omega","2021","","","","","10.1021/acsomega.1c00574","","","0.71073","MoKα","","0.0483","0.0393","","","0.0988","0.1052","","","","","","1.046","","","","has coordinates,has disorder","263371","2021-03-26","22:34:17",""
"4518585","10.3118","0.0002","6.4245","0.0001","11.7079","0.0002","90","","105.643","0.002","90","","746.9","0.02","104","6","104","6","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C13.99 H21.99 O5 -","- C14 H22 O5 -","- C28 H44 O10 -","2","1","","Guo, Cui; Wang, Pei; Pang, Xiaoyan; Lin, Xiuping; Liao, Shengrong; Yang, Bin; Zhou, Xuefeng; Wang, Junfeng; Liu, Yonghong","Discovery of a Dimeric Zinc Complex and Five Cyclopentenone Derivatives from the Sponge-Associated Fungus Aspergillus ochraceopetaliformis","ACS Omega","2021","","","","","10.1021/acsomega.0c06218","","x-ray","1.54184","CuKα","","0.0357","0.0339","","","0.0921","0.0927","","","","","","1.086","","","","has coordinates,has disorder","263372","2021-03-26","22:34:41",""
"4518586","11.8599","0.0001","24.2844","0.0003","29.9249","0.0003","90","","89.639","0.001","90","","8618.52","0.16","99.9","0.3","99.9","0.3","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C48 H76.36 N8 O12 Zn2 -","- C48 H75.0787 N8 O12 Zn2 -","- C288 H450.472 N48 O72 Zn12 -","6","3","","Guo, Cui; Wang, Pei; Pang, Xiaoyan; Lin, Xiuping; Liao, Shengrong; Yang, Bin; Zhou, Xuefeng; Wang, Junfeng; Liu, Yonghong","Discovery of a Dimeric Zinc Complex and Five Cyclopentenone Derivatives from the Sponge-Associated Fungus Aspergillus ochraceopetaliformis","ACS Omega","2021","","","","","10.1021/acsomega.0c06218","","x-ray","1.54184","CuKα","","0.083","0.0777","","","0.2125","0.2168","","","","","","1.044","","","","has coordinates,has disorder","263373","2021-03-26","22:35:19",""
"4518590","7.9582","0.0011","9.7232","0.0013","11.9573","0.0015","69.282","0.005","78.205","0.005","74.208","0.005","826.72","0.19","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C8 H10 F N O2 -","- C8 H10 F N O2 -","- C32 H40 F4 N4 O8 -","4","2","","Cotman, Andrej Emanuel; Guérin, Thomas; Kovačević, Ivana; Benedetto Tiz, Davide; Durcik, Martina; Fulgheri, Federica; Možina, Štefan; Secci, Daniela; Sterle, Maša; Ilaš, Janez; Zega, Anamarija; Zidar, Nace; Mašič, Lucija Peterlin; Tomašič, Tihomir; Leroux, Frédéric R.; Hanquet, Gilles; Kikelj, Danijel","Practical Synthesis and Application of Halogen-Doped Pyrrole Building Blocks","ACS Omega","2021","","","","","10.1021/acsomega.1c00331","","","0.71073","MoKα","","0.087","0.0733","","","0.2098","0.2221","","","","","","1.091","","","","has coordinates","301843","2025-08-21","01:59:41",""
"4518591","12.3507","0.0005","13.6579","0.0006","12.1808","0.0005","90","","90.577","0.002","90","","2054.61","0.15","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H13 N O4 -","- C10 H13 N O4 -","- C80 H104 N8 O32 -","8","2","","Cotman, Andrej Emanuel; Guérin, Thomas; Kovačević, Ivana; Benedetto Tiz, Davide; Durcik, Martina; Fulgheri, Federica; Možina, Štefan; Secci, Daniela; Sterle, Maša; Ilaš, Janez; Zega, Anamarija; Zidar, Nace; Mašič, Lucija Peterlin; Tomašič, Tihomir; Leroux, Frédéric R.; Hanquet, Gilles; Kikelj, Danijel","Practical Synthesis and Application of Halogen-Doped Pyrrole Building Blocks","ACS Omega","2021","","","","","10.1021/acsomega.1c00331","","","0.71073","MoKα","","0.0549","0.0509","","","0.1414","0.1441","","","","","","1.12","","","","has coordinates","301843","2025-08-21","01:59:41",""
"4518638","12.4157","0.0006","13.2373","0.0007","13.6566","0.0007","90","","100.293","0.001","90","","2208.35","0.19","90","","90","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C17 H12 Ag3 Br2 Fe N7 -","- C17 H12 Ag3 Br2 Fe N7 -","- C68 H48 Ag12 Br8 Fe4 N28 -","4","0.5","","Kosone, Takashi; Okuda, Syogo; Kawata, Masaya; Arai, Shunsuke; Kosuge, Ryota; Kawasaki, Takeshi","A New Systematic Construction of Novel Three-Dimensional Spin Crossover Coordination Polymers Based on the [AgI2(CN)3] Building Unit","ACS Omega","2021","","","","","10.1021/acsomega.1c00892","","","0.71073","MoKα","","0.0323","0.0303","","","0.0647","0.0652","","","","","","1.436","","","","has coordinates,has disorder","264700","2021-04-29","21:34:57",""
"4518639","12.7439","0.0007","13.6462","0.0008","14.0322","0.0008","90","","101.116","0.001","90","","2394.5","0.2","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C17 H12 Ag3 Br2 Fe N7 -","- C17 H12 Ag3 Br2 Fe N7 -","- C68 H48 Ag12 Br8 Fe4 N28 -","4","0.5","","Kosone, Takashi; Okuda, Syogo; Kawata, Masaya; Arai, Shunsuke; Kosuge, Ryota; Kawasaki, Takeshi","A New Systematic Construction of Novel Three-Dimensional Spin Crossover Coordination Polymers Based on the [AgI2(CN)3] Building Unit","ACS Omega","2021","","","","","10.1021/acsomega.1c00892","","","0.71073","MoKα","","0.0557","0.0447","","","0.1913","0.1965","","","","","","1.412","","","","has coordinates,has disorder","264701","2021-04-29","21:35:15",""
"4518640","12.467","0.0014","13.3156","0.0015","13.6789","0.0015","90","","100.331","0.002","90","","2234","0.4","90","2","90","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C15 H6 Ag3 Br4 Fe N7 -","- C15 H6 Ag3 Br4 Fe N7 -","- C60 H24 Ag12 Br16 Fe4 N28 -","4","0.5","","Kosone, Takashi; Okuda, Syogo; Kawata, Masaya; Arai, Shunsuke; Kosuge, Ryota; Kawasaki, Takeshi","A New Systematic Construction of Novel Three-Dimensional Spin Crossover Coordination Polymers Based on the [AgI2(CN)3] Building Unit","ACS Omega","2021","","","","","10.1021/acsomega.1c00892","","","0.71073","MoKα","","0.0325","0.0261","","","0.0591","0.0611","","","","","","1.039","","","","has coordinates","264702","2021-04-29","21:35:38",""
"4518641","12.806","0.011","13.584","0.011","13.973","0.011","90","","100.781","0.014","90","","2388","3","275","2","275","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C15 H6 Ag3 Br4 Fe N7 -","- C15 H6 Ag3 Br4 Fe N7 -","- C60 H24 Ag12 Br16 Fe4 N28 -","4","0.5","","Kosone, Takashi; Okuda, Syogo; Kawata, Masaya; Arai, Shunsuke; Kosuge, Ryota; Kawasaki, Takeshi","A New Systematic Construction of Novel Three-Dimensional Spin Crossover Coordination Polymers Based on the [AgI2(CN)3] Building Unit","ACS Omega","2021","","","","","10.1021/acsomega.1c00892","","","0.71073","MoKα","","0.0357","0.0272","","","0.0651","0.0679","","","","","","1.026","","","","has coordinates","264703","2021-04-29","21:35:55",""
"4518642","12.4285","0.0011","13.1096","0.0011","13.663","0.0012","90","","100.204","0.001","90","","2190.9","0.3","90","2","90","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C15 H6 Ag3 Br2 Cl2 Fe N7 -","- C15 H6 Ag3 Br2 Cl2 Fe N7 -","- C60 H24 Ag12 Br8 Cl8 Fe4 N28 -","4","0.5","","Kosone, Takashi; Okuda, Syogo; Kawata, Masaya; Arai, Shunsuke; Kosuge, Ryota; Kawasaki, Takeshi","A New Systematic Construction of Novel Three-Dimensional Spin Crossover Coordination Polymers Based on the [AgI2(CN)3] Building Unit","ACS Omega","2021","","","","","10.1021/acsomega.1c00892","","","0.71073","MoKα","","0.0381","0.0272","","","0.0496","0.052","","","","","","1.063","","","","has coordinates","264704","2021-04-29","21:36:19",""
"4518643","12.7896","0.0011","13.5068","0.0011","13.9946","0.0012","90","","100.922","0.0015","90","","2373.7","0.3","275","2","275","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C15 H6 Ag3 Br2 Cl2 Fe N7 -","- C15 H6 Ag3 Br2 Cl2 Fe N7 -","- C60 H24 Ag12 Br8 Cl8 Fe4 N28 -","4","0.5","","Kosone, Takashi; Okuda, Syogo; Kawata, Masaya; Arai, Shunsuke; Kosuge, Ryota; Kawasaki, Takeshi","A New Systematic Construction of Novel Three-Dimensional Spin Crossover Coordination Polymers Based on the [AgI2(CN)3] Building Unit","ACS Omega","2021","","","","","10.1021/acsomega.1c00892","","","0.71073","MoKα","","0.0444","0.0337","","","0.1112","0.1219","","","","","","0.841","","","","has coordinates","264705","2021-04-29","21:36:36",""
"4518681","6.1774","0.0018","22.134","0.007","11.445","0.004","90","","99.446","0.004","90","","1543.7","0.9","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H14 N Nd O8 -","- C12 H14 N Nd O8 -","- C48 H56 N4 Nd4 O32 -","4","1","","Liu, Ming-li; Shi, Quan; Liu, Lei-fang; Li, Wen-bo","Lanthanide-Aromatic Iminodiacetate Frameworks with Helical Tubes: Structure, Properties, and Low-Temperature Heat Capacity","ACS Omega","2021","6","15","10475","10485","10.1021/acsomega.1c01052","","","0.71073","MoKα","","0.0266","0.025","","","0.0654","0.0666","","","","","","0.603","","","","has coordinates","264798","2021-05-03","19:56:11",""
"4518682","5.9855","0.0007","22.116","0.003","6.1152","0.0007","90","","110.656","0.002","90","","757.46","0.16","273","2","273","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C12 H14 Gd N O8 -","- C12 H14 Gd N O8 -","- C24 H28 Gd2 N2 O16 -","2","1","","Liu, Ming-li; Shi, Quan; Liu, Lei-fang; Li, Wen-bo","Lanthanide-Aromatic Iminodiacetate Frameworks with Helical Tubes: Structure, Properties, and Low-Temperature Heat Capacity","ACS Omega","2021","6","15","10475","10485","10.1021/acsomega.1c01052","","","0.71073","MoKα","","0.0691","0.0506","","","0.1167","0.135","","","","","","1.01","","","","has coordinates","264799","2021-05-03","19:56:36",""
"4518683","6.1775","0.0004","22.1665","0.0013","11.4573","0.0008","90","","99.435","0.001","90","","1547.67","0.17","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H14 N O8 Sm -","- C12 H14 N O8 Sm -","- C48 H56 N4 O32 Sm4 -","4","1","","Liu, Ming-li; Shi, Quan; Liu, Lei-fang; Li, Wen-bo","Lanthanide-Aromatic Iminodiacetate Frameworks with Helical Tubes: Structure, Properties, and Low-Temperature Heat Capacity","ACS Omega","2021","6","15","10475","10485","10.1021/acsomega.1c01052","","","0.71073","MoKα","","0.0403","0.0386","","","0.1201","0.1209","","","","","","1.113","","","","has coordinates","264800","2021-05-03","19:56:59",""
"4518684","6.2123","0.0008","22.161","0.003","11.4967","0.0015","90","","99.387","0.002","90","","1561.6","0.4","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H14 N O8 Pr -","- C12 H14 N O8 Pr -","- C48 H56 N4 O32 Pr4 -","4","1","","Liu, Ming-li; Shi, Quan; Liu, Lei-fang; Li, Wen-bo","Lanthanide-Aromatic Iminodiacetate Frameworks with Helical Tubes: Structure, Properties, and Low-Temperature Heat Capacity","ACS Omega","2021","6","15","10475","10485","10.1021/acsomega.1c01052","","","0.71073","MoKα","","0.046","0.0445","","","0.1201","0.1216","","","","","","0.741","","","","has coordinates","264801","2021-05-03","19:57:23",""
"4518685","5.9823","0.0008","22.145","0.003","6.1201","0.0008","90","","110.649","0.001","90","","758.69","0.18","273","2","273","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C12 H14 Eu N O8 -","- C12 H14 Eu N O8 -","- C24 H28 Eu2 N2 O16 -","2","1","","Liu, Ming-li; Shi, Quan; Liu, Lei-fang; Li, Wen-bo","Lanthanide-Aromatic Iminodiacetate Frameworks with Helical Tubes: Structure, Properties, and Low-Temperature Heat Capacity","ACS Omega","2021","6","15","10475","10485","10.1021/acsomega.1c01052","","","0.71073","MoKα","","0.0454","0.0379","","","0.0955","0.1075","","","","","","1.024","","","","has coordinates","264802","2021-05-03","19:57:47",""
"4518699","7.7081","0.0004","15.6681","0.0007","7.7483","0.0004","90","","113.824","0.002","90","","856.04","0.07","103","2","103","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C7 H7 N O6 Zn -","- C7 H7 N O6 Zn -","- C28 H28 N4 O24 Zn4 -","4","1","","Pandey, Rampal; Singh, Durgesh; Thakur, Neha; Raj, Krishna K.","Catalytic C-H Bond Activation and Knoevenagel Condensation Using Pyridine-2,3-Dicarboxylate-Based Metal-Organic Frameworks.","ACS omega","2021","6","20","13240","13259","10.1021/acsomega.1c01155","","","0.71073","MoKα","","0.0374","0.0264","","","0.0538","0.0567","","","","","","1.08","","","","has coordinates","265749","2021-06-04","00:58:13",""
"4518700","7.8597","0.0005","15.9234","0.001","8.0981","0.0005","90","","114.849","0.002","90","","919.67","0.1","130","2","130","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C7 H7 Cd N O6 -","- C7 H7 Cd N O6 -","- C28 H28 Cd4 N4 O24 -","4","1","","Pandey, Rampal; Singh, Durgesh; Thakur, Neha; Raj, Krishna K.","Catalytic C-H Bond Activation and Knoevenagel Condensation Using Pyridine-2,3-Dicarboxylate-Based Metal-Organic Frameworks.","ACS omega","2021","6","20","13240","13259","10.1021/acsomega.1c01155","","","0.71073","MoKα","","0.0249","0.0208","","","0.0462","0.0477","","","","","","1.078","","","","has coordinates","265749","2021-06-04","00:58:14",""
"4518701","21.7641","0.0013","17.4903","0.001","9.3685","0.0005","90","","90","","90","","3566.2","0.4","120","2","120","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C56 H48 Cu4 K4 N12 O32 -","- C56 H44 Cu4 K4 N12 O32 -","- C112 H88 Cu8 K8 N24 O64 -","2","0.25","","Pandey, Rampal; Singh, Durgesh; Thakur, Neha; Raj, Krishna K.","Catalytic C-H Bond Activation and Knoevenagel Condensation Using Pyridine-2,3-Dicarboxylate-Based Metal-Organic Frameworks.","ACS omega","2021","6","20","13240","13259","10.1021/acsomega.1c01155","","","0.71073","MoKα","","0.1638","0.1104","","","0.2224","0.2423","","","","","","1.173","","","","has coordinates,has disorder","265749","2021-06-04","00:58:14",""
"4518727","13.3663","0.0002","10.80081","0.00018","17.0804","0.0003","90","","102.718","0.0017","90","","2405.35","0.07","295","2","295","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H35 N O6 -","- C26 H35 N O6 -","- C104 H140 N4 O24 -","4","1","","Yu, Hongmei; Zhang, Yong; Xing, Cheng; Wang, Ying; Zhang, Hailu; Gong, Ningbo; Lu, Yang; Du, Guanhua","Venlafaxine Caffeic Acid Salt: Synthesis, Structural Characterization, and Hypoglycemic Effect Analysis","ACS Omega","2021","6","21","13895","13903","10.1021/acsomega.1c01581","","","1.54184","CuKα","","0.0532","0.0451","","","0.1161","0.1246","","","","","","1.039","","","","has coordinates","265750","2021-06-04","00:58:22",""
"4518733","24.8417","0.0006","14.2633","0.0004","17.1697","0.0004","90","","128.915","0.001","90","","4733.6","0.2","100.02","","100.02","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H24 Cu N2 O4 -","- C28 H24 Cu N2 O4 -","- C224 H192 Cu8 N16 O32 -","8","1","","Yusuf, Tunde L.; Oladipo, Segun D.; Zamisa, Sizwe; Kumalo, Hezekiel M.; Lawal, Isiaka A.; Lawal, Monsurat M.; Mabuba, Nonhlangabezo","Design of New Schiff-Base Copper(II) Complexes: Synthesis, Crystal Structures, DFT Study, and Binding Potency toward Cytochrome P450 3A4","ACS Omega","2021","6","21","13704","13718","10.1021/acsomega.1c00906","","x-ray","0.71073","MoKα","","0.0291","0.0251","","","0.0698","0.0723","","","","","","1.066","","","","has coordinates","265751","2021-06-04","00:58:32",""
"4518734","12.028","0.0009","14.7995","0.0012","13.5238","0.001","90","","110.518","0.004","90","","2254.6","0.3","100.33","","100.33","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H18 Cl2 Cu N2 O4 -","- C26 H18 Cl2 Cu N2 O4 -","- C104 H72 Cl8 Cu4 N8 O16 -","4","1","","Yusuf, Tunde L.; Oladipo, Segun D.; Zamisa, Sizwe; Kumalo, Hezekiel M.; Lawal, Isiaka A.; Lawal, Monsurat M.; Mabuba, Nonhlangabezo","Design of New Schiff-Base Copper(II) Complexes: Synthesis, Crystal Structures, DFT Study, and Binding Potency toward Cytochrome P450 3A4","ACS Omega","2021","6","21","13704","13718","10.1021/acsomega.1c00906","","x-ray","0.71073","MoKα","","0.112","0.1023","","","0.3183","0.3223","","","","","","1.182","","","","has coordinates","265751","2021-06-04","00:58:33",""
"4518740","8.617","0.002","21.565","0.007","13.651","0.004","90","","90","","90","","2536.7","1.3","110","2","109.67","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C17 H13 N O2 -","- C17 H13 N O2 -","- C136 H104 N8 O16 -","8","1","","Das, Riyanka; Bej, Sourav; Hirani, Harish; Banerjee, Priyabrata","Trace-Level Humidity Sensing from Commercial Organic Solvents and Food Products by an AIE/ESIPT-Triggered Piezochromic Luminogen and ppb-Level “OFF–ON–OFF” Sensing of Cu2+: A Combined Experimental and Theoretical Outcome","ACS Omega","2021","","","","","10.1021/acsomega.1c00565","","","0.71073","MoKα","","0.1484","0.0767","","","0.1733","0.2189","","","","","","1.055","","","","has coordinates","302124","2025-09-12","17:46:23",""
"4518745","11.0531","0.0003","12.6868","0.0003","16.6049","0.0005","75.757","0.002","83.114","0.002","66.615","0.003","2070.87","0.11","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C40 H36 D12 N6 O6 S4 -","- C40 H36 D12 N6 O6 S4 -","- C80 H72 D24 N12 O12 S8 -","2","1","","Stroganova, Tatyana A.; Vasilin, Vladimir K.; Dotsenko, Victor V.; Aksenov, Nicolai A.; Morozov, Pavel G.; Vassiliev, Pavel M.; Volynkin, Vitaly A.; Krapivin, Gennady D.","Unusual Oxidative Dimerization in the 3-Aminothieno[2,3-b]pyridine-2-carboxamide Series","ACS Omega","2021","","","","","10.1021/acsomega.1c00341","","x-ray","1.54184","CuKα","","0.0536","0.0502","","","0.1327","0.1363","","","","","","1.068","","","","has coordinates","265590","2021-05-28","21:46:17",""
"4518746","11.202","0.003","13.817","0.004","19.03","0.007","69.497","0.007","83.942","0.006","71.051","0.005","2609.2","1.4","200","2","200","2","","","","","","","","5","P -1","-P 1","2","Moris680b (Konstantin)","","","- C41 H76 N6 Si6 U -","- C41 H76 N6 Si6 U -","- C82 H152 N12 Si12 U2 -","2","1","","Makarov, Konstantin; Saha, Sayantani; Ghatak, Tapas; Fridman, Natalia; Eisen, Moris S.","Remodeling of N-Heterocyclic Iminato Ligand Frameworks for the Facile Synthesis of Isoureas from Alcohols and Carbodiimides Promoted by Organoactinide (Th, U) Complexes","ACS Omega","2021","","","","","10.1021/acsomega.1c01836","","","0.71073","MoKα","","0.112","0.0645","","","0.1206","0.1372","","","","","","0.838","","","","has coordinates","265591","2021-05-28","21:46:39",""
"4518747","11.2761","0.0014","13.825","0.002","19.081","0.002","69.338","0.004","83.924","0.003","71.128","0.002","2633.5","0.6","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","Moris678b (Konstantin)","","- C41 H76 N6 Si6 Th -","- C41 H76 N6 Si6 Th -","- C82 H152 N12 Si12 Th2 -","2","1","","Makarov, Konstantin; Saha, Sayantani; Ghatak, Tapas; Fridman, Natalia; Eisen, Moris S.","Remodeling of N-Heterocyclic Iminato Ligand Frameworks for the Facile Synthesis of Isoureas from Alcohols and Carbodiimides Promoted by Organoactinide (Th, U) Complexes","ACS Omega","2021","","","","","10.1021/acsomega.1c01836","","","0.71073","MoKα","","0.0483","0.0352","","","0.0697","0.0734","","","","","","0.829","","","","has coordinates","265592","2021-05-28","21:47:02",""
"4518748","8.1723","0.0008","11.5815","0.001","12.0792","0.001","110.821","0.008","99.527","0.007","108.076","0.008","965.69","0.18","293.8","0.18","293.8","0.18","","","","","","","","3","P -1","-P 1","2","","","","- C24 H18 O6 -","- C24 H18 O6 -","- C48 H36 O12 -","2","1","","Marpna, Ibakyntiew D.; Shangpliang, O. Risuklang; Wanniang, Kmendashisha; Kshiar, Baskhemlang; Lipon, Tyrchain Mitre; Laloo, Badaker M.; Myrboh, Bekington","Trifluoroacetic Acid-Mediated Oxidative Self-Condensation of Acetophenones in the Presence of SeO2: A Serendipitous Approach for the Synthesis of Fused [1,3]Dioxolo[4,5-d][1,3]dioxoles","ACS Omega","2021","","","","","10.1021/acsomega.1c01466","","x-ray","0.71073","MoKα","","0.0603","0.0455","","","0.1045","0.1134","","","","","","1.0686","","","","has coordinates","265593","2021-05-28","21:48:16",""
"4518749","13.3338","0.0012","14.5767","0.0009","11.8146","0.0014","90","","103.407","0.009","90","","2233.7","0.4","294.38","0.1","294.38","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C27 H24 O6 -","- C27 H24 O6 -","- C108 H96 O24 -","4","1","","Marpna, Ibakyntiew D.; Shangpliang, O. Risuklang; Wanniang, Kmendashisha; Kshiar, Baskhemlang; Lipon, Tyrchain Mitre; Laloo, Badaker M.; Myrboh, Bekington","Trifluoroacetic Acid-Mediated Oxidative Self-Condensation of Acetophenones in the Presence of SeO2: A Serendipitous Approach for the Synthesis of Fused [1,3]Dioxolo[4,5-d][1,3]dioxoles","ACS Omega","2021","","","","","10.1021/acsomega.1c01466","","x-ray","0.71073","MoKα","","0.1019","0.0551","","","0.1146","0.1362","","","","","","1.022","","","","has coordinates","265593","2021-05-28","21:48:17",""
"4518750","13.285","0.002","14.4225","0.0013","11.9517","0.0012","90","","105.632","0.012","90","","2205.3","0.5","296.44","0.15","296.44","0.15","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H15 Cl3 O6 -","- C24 H15 Cl3 O6 -","- C96 H60 Cl12 O24 -","4","1","","Marpna, Ibakyntiew D.; Shangpliang, O. Risuklang; Wanniang, Kmendashisha; Kshiar, Baskhemlang; Lipon, Tyrchain Mitre; Laloo, Badaker M.; Myrboh, Bekington","Trifluoroacetic Acid-Mediated Oxidative Self-Condensation of Acetophenones in the Presence of SeO2: A Serendipitous Approach for the Synthesis of Fused [1,3]Dioxolo[4,5-d][1,3]dioxoles","ACS Omega","2021","","","","","10.1021/acsomega.1c01466","","x-ray","0.71073","MoKα","","0.1887","0.0827","","","0.1007","0.1303","","","","","","1.047","","","","has coordinates","265593","2021-05-28","21:48:17",""
"4518751","9.8005","0.0006","10.7669","0.0004","11.3858","0.0006","84.965","0.003","71.99","0.005","81.26","0.004","1128.24","0.11","292","0.6","292","0.6","","","","","","","","3","P -1","-P 1","2","","","","- C27 H24 O6 -","- C27 H24 O6 -","- C54 H48 O12 -","2","1","","Marpna, Ibakyntiew D.; Shangpliang, O. Risuklang; Wanniang, Kmendashisha; Kshiar, Baskhemlang; Lipon, Tyrchain Mitre; Laloo, Badaker M.; Myrboh, Bekington","Trifluoroacetic Acid-Mediated Oxidative Self-Condensation of Acetophenones in the Presence of SeO2: A Serendipitous Approach for the Synthesis of Fused [1,3]Dioxolo[4,5-d][1,3]dioxoles","ACS Omega","2021","","","","","10.1021/acsomega.1c01466","","x-ray","0.71073","MoKα","","0.0658","0.045","","","0.1038","0.1147","","","","","","1.03","","","","has coordinates","265593","2021-05-28","21:48:17",""
"4518752","8.053","0.0006","24.436","0.003","12.3129","0.0012","90","","100.869","0.007","90","","2379.5","0.4","294.1","0.7","294.1","0.7","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C27 H24 O9 -","- C27 H24 O9 -","- C108 H96 O36 -","4","1","","Marpna, Ibakyntiew D.; Shangpliang, O. Risuklang; Wanniang, Kmendashisha; Kshiar, Baskhemlang; Lipon, Tyrchain Mitre; Laloo, Badaker M.; Myrboh, Bekington","Trifluoroacetic Acid-Mediated Oxidative Self-Condensation of Acetophenones in the Presence of SeO2: A Serendipitous Approach for the Synthesis of Fused [1,3]Dioxolo[4,5-d][1,3]dioxoles","ACS Omega","2021","","","","","10.1021/acsomega.1c01466","","x-ray","0.71073","MoKα","","0.1081","0.056","","","0.1108","0.1366","","","","","","1.0617","","","","has coordinates","265593","2021-05-28","21:48:17",""
"4518753","9.1302","0.0006","11.5971","0.001","12.5478","0.0009","103.762","0.007","96.584","0.006","90.048","0.006","1281.41","0.17","293.55","0.11","293.55","0.11","","","","","","","","3","P -1","-P 1","2","","","","- C30 H30 O6 -","- C30 H30 O6 -","- C60 H60 O12 -","2","1","","Marpna, Ibakyntiew D.; Shangpliang, O. Risuklang; Wanniang, Kmendashisha; Kshiar, Baskhemlang; Lipon, Tyrchain Mitre; Laloo, Badaker M.; Myrboh, Bekington","Trifluoroacetic Acid-Mediated Oxidative Self-Condensation of Acetophenones in the Presence of SeO2: A Serendipitous Approach for the Synthesis of Fused [1,3]Dioxolo[4,5-d][1,3]dioxoles","ACS Omega","2021","","","","","10.1021/acsomega.1c01466","","x-ray","0.71073","MoKα","","0.0815","0.0502","","","0.1147","0.1271","","","","","","1.027","","","","has coordinates","265593","2021-05-28","21:48:17",""
"4518771","26.8708","0.0018","7.3323","0.0007","20.6528","0.0014","90","","95.548","0.006","90","","4050.1","0.5","150","2","150","0.1","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C19 H25 N5 O6 -","- C19 H25 N5 O6 -","- C152 H200 N40 O48 -","8","1","","Zeng, Ziyu; Kociok-Köhn, Gabriele; Woodman, Timothy J.; Rowan, Michael G.; Blagbrough, Ian S.","The <sup>1</sup>H NMR Spectroscopic Effect of Steric Compression Is Found in [3.3.1]Oxa- and Azabicycles and Their Analogues.","ACS omega","2021","6","19","12769","12786","10.1021/acsomega.1c01093","","x-ray","1.54184","CuKα","","0.0744","0.0537","","","0.1391","0.1534","","","","","","1.02","","","","has coordinates","265731","2021-06-03","19:48:47",""
"4518772","8.2535","0.0002","14.1548","0.0004","18.1606","0.0007","100.206","0.003","99.075","0.003","102.165","0.002","1998.79","0.11","150","2","150.01","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C19 H25 N5 O6 -","- C19 H25 N5 O6 -","- C76 H100 N20 O24 -","4","2","","Zeng, Ziyu; Kociok-Köhn, Gabriele; Woodman, Timothy J.; Rowan, Michael G.; Blagbrough, Ian S.","The <sup>1</sup>H NMR Spectroscopic Effect of Steric Compression Is Found in [3.3.1]Oxa- and Azabicycles and Their Analogues.","ACS omega","2021","6","19","12769","12786","10.1021/acsomega.1c01093","","x-ray","1.54184","CuKα","","0.0703","0.0495","","","0.124","0.1369","","","","","","1.046","","","","has coordinates","265732","2021-06-03","19:49:10",""
"4518773","7.7392","0.0004","15.8949","0.0016","17.396","0.002","110.066","0.011","90.729","0.007","90.19","0.007","2009.8","0.4","150","2","149.9","0.4","","","","","","","","4","P -1","-P 1","2","","","","- C18.6 H23.8 N5 O6 -","- C18.6 H23.8 N5 O6 -","- C74.4 H95.2 N20 O24 -","4","2","","Zeng, Ziyu; Kociok-Köhn, Gabriele; Woodman, Timothy J.; Rowan, Michael G.; Blagbrough, Ian S.","The <sup>1</sup>H NMR Spectroscopic Effect of Steric Compression Is Found in [3.3.1]Oxa- and Azabicycles and Their Analogues.","ACS omega","2021","6","19","12769","12786","10.1021/acsomega.1c01093","","x-ray","1.54184","CuKα","","0.1407","0.0621","","","0.1311","0.1536","","","","","","0.786","","","","has coordinates","265733","2021-06-03","19:49:32",""
"4518774","7.7446","0.0001","15.5385","0.0002","36.6455","0.0007","90","","91.337","0.002","90","","4408.7","0.12","150","2","150.01","0.1","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C21 H29 N5 O6 -","- C21 H29 N5 O6 -","- C168 H232 N40 O48 -","8","1","","Zeng, Ziyu; Kociok-Köhn, Gabriele; Woodman, Timothy J.; Rowan, Michael G.; Blagbrough, Ian S.","The <sup>1</sup>H NMR Spectroscopic Effect of Steric Compression Is Found in [3.3.1]Oxa- and Azabicycles and Their Analogues.","ACS omega","2021","6","19","12769","12786","10.1021/acsomega.1c01093","","x-ray","1.54184","CuKα","","0.0509","0.047","","","0.1337","0.1367","","","","","","1.076","","","","has coordinates,has disorder","265734","2021-06-03","19:49:56",""
"4518775","5.9795","0.0002","10.4226","0.0005","8.2748","0.0003","90","","95.08","0.004","90","","513.68","0.04","150","2","150.01","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C10 H18 O4 -","- C10 H18 O4 -","- C20 H36 O8 -","2","1","","Zeng, Ziyu; Kociok-Köhn, Gabriele; Woodman, Timothy J.; Rowan, Michael G.; Blagbrough, Ian S.","The <sup>1</sup>H NMR Spectroscopic Effect of Steric Compression Is Found in [3.3.1]Oxa- and Azabicycles and Their Analogues.","ACS omega","2021","6","19","12769","12786","10.1021/acsomega.1c01093","","x-ray","1.54184","CuKα","","0.0306","0.0297","","","0.0764","0.0773","","","","","","1.052","","","","has coordinates","265735","2021-06-03","19:50:17",""
"4518776","14.0556","0.0003","8.4265","0.0002","23.4225","0.0006","90","","90","","90","","2774.15","0.11","150","2","150","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C13 H22 Cl N O3 -","- C13 H22 Cl N O3 -","- C104 H176 Cl8 N8 O24 -","8","1","","Zeng, Ziyu; Kociok-Köhn, Gabriele; Woodman, Timothy J.; Rowan, Michael G.; Blagbrough, Ian S.","The <sup>1</sup>H NMR Spectroscopic Effect of Steric Compression Is Found in [3.3.1]Oxa- and Azabicycles and Their Analogues.","ACS omega","2021","6","19","12769","12786","10.1021/acsomega.1c01093","","x-ray","1.54184","CuKα","","0.0465","0.0449","","","0.117","0.1185","","","","","","1.065","","","","has coordinates","265736","2021-06-03","19:50:41",""
"4518794","7.8674","0.0012","10.8182","0.0015","16.305","0.003","94.407","0.007","91.928","0.007","97.087","0.007","1371.8","0.4","293","","293","","","","","","","","","4","P -1","-P 1","2","","","","- C16 H12 N4 O2 -","- C16 H12 N4 O2 -","- C64 H48 N16 O8 -","4","2","","Ibrahim, Hamada Mohamed; Behbehani, Haider","TFA-catalyzed Q-Tube Reactor-Assisted Strategy for the Synthesis of Pyrido[1,2-<i>b</i>][1,2,4]triazine and Pyrido[1',2':2,3][1,2,4]triazino[5,6-<i>b</i>]indole Derivatives.","ACS omega","2021","6","24","16086","16099","10.1021/acsomega.1c01980","","","0.71075","MoKα","","","0.083","","","","0.288","","","","","","1.038","","","","has coordinates","266964","2021-07-04","01:37:55",""
"4518795","16.516","0.0013","14.1547","0.0011","7.1025","0.0007","90","","91.122","0.006","90","","1660.1","0.2","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Hamada_GH60_14_09_17","","","- C20 H10 Cl N5 -","- C20 H10 Cl N5 -","- C80 H40 Cl4 N20 -","4","1","","Ibrahim, Hamada Mohamed; Behbehani, Haider","TFA-catalyzed Q-Tube Reactor-Assisted Strategy for the Synthesis of Pyrido[1,2-<i>b</i>][1,2,4]triazine and Pyrido[1',2':2,3][1,2,4]triazino[5,6-<i>b</i>]indole Derivatives.","ACS omega","2021","6","24","16086","16099","10.1021/acsomega.1c01980","","","1.54178","CuKα","","0.1315","0.0627","","","0.1646","0.1904","","","","","","1.129","","","","has coordinates","266964","2021-07-04","01:38:06",""
"4518796","7.4315","0.0003","15.4721","0.0007","13.5859","0.0006","90","","91.551","0.002","90","","1561.55","0.12","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","Hamada_GH68C_11_10_17","","","- C20 H12 N6 -","- C20 H12 N6 -","- C80 H48 N24 -","4","1","","Ibrahim, Hamada Mohamed; Behbehani, Haider","TFA-catalyzed Q-Tube Reactor-Assisted Strategy for the Synthesis of Pyrido[1,2-<i>b</i>][1,2,4]triazine and Pyrido[1',2':2,3][1,2,4]triazino[5,6-<i>b</i>]indole Derivatives.","ACS omega","2021","6","24","16086","16099","10.1021/acsomega.1c01980","","","1.54178","CuKα","","0.0506","0.0441","","","0.1112","0.1177","","","","","","1.164","","","","has coordinates","266964","2021-07-04","01:38:06",""
"4518797","16.8422","0.0008","14.1742","0.0008","7.0948","0.0004","90","","90.995","0.004","90","","1693.45","0.16","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Hamada_GH64C_27_09_17","","","- C20 H10 Br N5 -","- C20 H10 Br N5 -","- C80 H40 Br4 N20 -","4","1","","Ibrahim, Hamada Mohamed; Behbehani, Haider","TFA-catalyzed Q-Tube Reactor-Assisted Strategy for the Synthesis of Pyrido[1,2-<i>b</i>][1,2,4]triazine and Pyrido[1',2':2,3][1,2,4]triazino[5,6-<i>b</i>]indole Derivatives.","ACS omega","2021","6","24","16086","16099","10.1021/acsomega.1c01980","","","1.54178","CuKα","","0.0727","0.0551","","","0.1585","0.1819","","","","","","1.053","","","","has coordinates","266964","2021-07-04","01:38:06",""
"4518798","18.444","0.002","12.6807","0.0012","6.8046","0.0007","90","","90","","90","","1591.5","0.3","296","2","296","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C21 H13 N5 -","- C21 H13 N5 -","- C84 H52 N20 -","4","1","","Ibrahim, Hamada Mohamed; Behbehani, Haider","TFA-catalyzed Q-Tube Reactor-Assisted Strategy for the Synthesis of Pyrido[1,2-<i>b</i>][1,2,4]triazine and Pyrido[1',2':2,3][1,2,4]triazino[5,6-<i>b</i>]indole Derivatives.","ACS omega","2021","6","24","16086","16099","10.1021/acsomega.1c01980","","","1.54178","CuKα","","0.0756","0.0687","","","0.1728","0.1781","","","","","","1.088","","","","has coordinates","266964","2021-07-04","01:38:06",""
"4518799","16.3529","0.0014","14.2319","0.0013","7.2576","0.0008","90","","97.256","0.008","90","","1675.6","0.3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Hamada_GH61_17_09_17","","","- C21 H13 N5 O -","- C21 H13 N5 O -","- C84 H52 N20 O4 -","4","1","","Ibrahim, Hamada Mohamed; Behbehani, Haider","TFA-catalyzed Q-Tube Reactor-Assisted Strategy for the Synthesis of Pyrido[1,2-<i>b</i>][1,2,4]triazine and Pyrido[1',2':2,3][1,2,4]triazino[5,6-<i>b</i>]indole Derivatives.","ACS omega","2021","6","24","16086","16099","10.1021/acsomega.1c01980","","","1.54178","CuKα","","0.159","0.0712","","","0.1798","0.2235","","","","","","1.106","","","","has coordinates","266964","2021-07-04","01:38:06",""
"4518800","7.0765","0.0005","14.1844","0.0009","15.9271","0.001","76.326","0.004","77.458","0.005","88.903","0.005","1515.44","0.18","296","2","296","2","","","","","","","","3","P -1","-P 1","2","Hamada_GH59_13_09_17","","","- C20 H11 N5 -","- C20 H11 N5 -","- C80 H44 N20 -","4","2","","Ibrahim, Hamada Mohamed; Behbehani, Haider","TFA-catalyzed Q-Tube Reactor-Assisted Strategy for the Synthesis of Pyrido[1,2-<i>b</i>][1,2,4]triazine and Pyrido[1',2':2,3][1,2,4]triazino[5,6-<i>b</i>]indole Derivatives.","ACS omega","2021","6","24","16086","16099","10.1021/acsomega.1c01980","","","1.54178","CuKα","","0.079","0.0497","","","0.1505","0.1997","","","","","","0.738","","","","has coordinates","301408","2025-07-30","05:56:31",""
"4518801","9.0705","0.0005","10.4979","0.0006","12.268","0.0007","94.399","0.003","106.772","0.003","96.64","0.003","1103.51","0.11","100","1","100","1","","","","","","","","6","P -1","-P 1","2","","","","- C14 H37 N3 O Si2 Sr -","- C14 H37 N3 O Si2 Sr -","- C28 H74 N6 O2 Si4 Sr2 -","2","1","","Park, Chanwoo; Hwang, Jeong Min; Go, Yongmin; Choi, Heenang; Park, Bo Keun; Kim, Chang Gyoun; Ryu, Ji Yeon; Hong, Chang Seop; Chung, Taek-Mo","Synthesis and Crystal Structures of New Strontium Complexes with Aminoalkoxy and β-Diketonato Ligands.","ACS omega","2021","6","24","15948","15956","10.1021/acsomega.1c01624","","","0.71073","MoKα","","0.0723","0.0553","","","0.1362","0.1445","","","","","","0.966","","","","has coordinates","266965","2021-07-04","01:38:59",""
"4518802","10.027","0.002","10.505","0.002","12.868","0.003","86.037","0.012","72.8","0.01","81.722","0.011","1280.8","0.5","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C17 H43 N3 O2 Si2 Sr -","- C17 H43 N3 O2 Si2 Sr -","- C34 H86 N6 O4 Si4 Sr2 -","2","1","","Park, Chanwoo; Hwang, Jeong Min; Go, Yongmin; Choi, Heenang; Park, Bo Keun; Kim, Chang Gyoun; Ryu, Ji Yeon; Hong, Chang Seop; Chung, Taek-Mo","Synthesis and Crystal Structures of New Strontium Complexes with Aminoalkoxy and β-Diketonato Ligands.","ACS omega","2021","6","24","15948","15956","10.1021/acsomega.1c01624","","","0.71073","MoKα","","0.0767","0.0553","","","0.1473","0.1654","","","","","","1.105","","","","has coordinates,has disorder","266965","2021-07-04","01:39:09",""
"4518803","12.2155","0.0009","18.9312","0.0014","20.4702","0.0016","90","","90","","90","","4733.8","0.6","100","1","100","1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C15 H39 N3 O Si2 Sr -","- C15 H39 N3 O Si2 Sr -","- C120 H312 N24 O8 Si16 Sr8 -","8","1","","Park, Chanwoo; Hwang, Jeong Min; Go, Yongmin; Choi, Heenang; Park, Bo Keun; Kim, Chang Gyoun; Ryu, Ji Yeon; Hong, Chang Seop; Chung, Taek-Mo","Synthesis and Crystal Structures of New Strontium Complexes with Aminoalkoxy and β-Diketonato Ligands.","ACS omega","2021","6","24","15948","15956","10.1021/acsomega.1c01624","","","0.71073","MoKα","","0.0627","0.0346","","","0.0783","0.0913","","","","","","1.045","","","","has coordinates","266965","2021-07-04","01:39:09",""
"4518804","18.04","0.0014","11.5817","0.0009","35.591","0.003","90","","103.789","0.004","90","","7221.9","1","100","1","100","1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C29 H61 N4 O4 Sr1.5 -","- C29 H61 N4 O4 Sr1.5 -","- C232 H488 N32 O32 Sr12 -","8","1","","Park, Chanwoo; Hwang, Jeong Min; Go, Yongmin; Choi, Heenang; Park, Bo Keun; Kim, Chang Gyoun; Ryu, Ji Yeon; Hong, Chang Seop; Chung, Taek-Mo","Synthesis and Crystal Structures of New Strontium Complexes with Aminoalkoxy and β-Diketonato Ligands.","ACS omega","2021","6","24","15948","15956","10.1021/acsomega.1c01624","","","0.71073","MoKα","","0.1126","0.0527","","","0.1219","0.144","","","","","","1.026","","","","has coordinates","266965","2021-07-04","01:39:09",""
"4518805","17.582","0.0007","14.2227","0.0005","23.1741","0.0009","90","","97.147","0.002","90","","5750","0.4","100","1","100","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C39 H60 F18 N6 O9 Sr3 -","- C39 H60 F18 N6 O9 Sr3 -","- C156 H240 F72 N24 O36 Sr12 -","4","1","","Park, Chanwoo; Hwang, Jeong Min; Go, Yongmin; Choi, Heenang; Park, Bo Keun; Kim, Chang Gyoun; Ryu, Ji Yeon; Hong, Chang Seop; Chung, Taek-Mo","Synthesis and Crystal Structures of New Strontium Complexes with Aminoalkoxy and β-Diketonato Ligands.","ACS omega","2021","6","24","15948","15956","10.1021/acsomega.1c01624","","","0.71073","MoKα","","0.0877","0.0566","","","0.1454","0.1665","","","","","","1.035","","","","has coordinates,has disorder","266965","2021-07-04","01:39:09",""
"4518806","12.058","0.003","12.438","0.003","21.422","0.006","93.087","0.016","101.598","0.014","110.133","0.013","2928.3","1.3","100","1","100","1","","","","","","","","6","P -1","-P 1","2","","","","- C42 H66 F18 N6 O9 Sr3 -","- C42 H66 F18 N6 O9 Sr3 -","- C84 H132 F36 N12 O18 Sr6 -","2","1","","Park, Chanwoo; Hwang, Jeong Min; Go, Yongmin; Choi, Heenang; Park, Bo Keun; Kim, Chang Gyoun; Ryu, Ji Yeon; Hong, Chang Seop; Chung, Taek-Mo","Synthesis and Crystal Structures of New Strontium Complexes with Aminoalkoxy and β-Diketonato Ligands.","ACS omega","2021","6","24","15948","15956","10.1021/acsomega.1c01624","","","0.71073","MoKα","","0.1047","0.0628","","","0.1545","0.175","","","","","","1.013","","","","has coordinates,has disorder","266965","2021-07-04","01:39:09",""
"4518818","16.8193","0.001","17.3271","0.001","21.1897","0.0015","107.161","0.008","99.537","0.007","100.103","0.007","5651.6","0.7","160","","160","","","","","","","","","7","P -1","-P 1","2","","","","- C156 H203 B2 F20 Fe12 N24 O40 -","- C156 H203 B2 F20 Fe12 N24 O40 -","- C156 H203 B2 F20 Fe12 N24 O40 -","1","0.5","","De Silva, D. Nirosha T.; Dais, Tyson N.; Jameson, Geoffrey B.; Cutler, Daniel J.; Brechin, Euan K.; Davies, Casey G.; Jameson, Guy N. L.; Plieger, Paul G.","Synthesis and Characterization of Symmetrically versus Unsymmetrically Proton-Bridged Hexa-Iron Clusters","ACS Omega","2021","6","25","16661","16669","10.1021/acsomega.1c02255","","","1.54187","CuKα","","0.1491","0.1049","","","0.281","0.3259","","","","","","1.037","","","","has coordinates,has disorder","266966","2021-07-04","01:39:57",""
"4518819","17.9936","0.0004","37.0613","0.0007","20.437","0.0014","90","","113.409","0.008","90","","12507","1.2","163","","163","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C116 H131 B3 F18 Fe6 N13 O14 -","- C116 H131 B3 F18 Fe6 N13 O14 -","- C464 H524 B12 F72 Fe24 N52 O56 -","4","1","","De Silva, D. Nirosha T.; Dais, Tyson N.; Jameson, Geoffrey B.; Cutler, Daniel J.; Brechin, Euan K.; Davies, Casey G.; Jameson, Guy N. L.; Plieger, Paul G.","Synthesis and Characterization of Symmetrically versus Unsymmetrically Proton-Bridged Hexa-Iron Clusters","ACS Omega","2021","6","25","16661","16669","10.1021/acsomega.1c02255","","","1.54178","CuKα","","0.1894","0.1012","","","0.2518","0.3043","","","","","","0.97","","","","has coordinates,has disorder","266966","2021-07-04","01:40:10",""
"4518832","18.9312","0.0009","7.1744","0.0003","20.7067","0.0009","90","","113.281","0.001","90","","2583.4","0.2","293.34","","293.34","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H24 N2 O4 S -","- C32 H24 N2 O4 S -","- C128 H96 N8 O16 S4 -","4","1","","Cao, Dongdong; Chen, Gang; Chen, Dingben; Xia, Zhijun; Li, Zongyang; Wang, Yi; Xu, Dongqing; Yang, Jianguo","Synthesis of 4-Hydroxycarbazole Derivatives by Benzannulation of 3-Nitroindoles with Alkylidene Azlactones","ACS Omega","2021","","","","","10.1021/acsomega.1c01992","","","0.71073","MoKα","","0.0773","0.0629","","","0.1523","0.1609","","","","","","1.122","","","","has coordinates","266688","2021-06-25","21:35:15",""
"4518833","18.7939","0.001","22.4746","0.0012","10.3719","0.0005","90","","90","","90","","4380.9","0.4","298","2","298","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","voacamine","","","- C43 H57 N4 O7.5 -","- C43 H52 N4 O7.5 -","- C172 H208 N16 O30 -","4","1","","González, Bruno; Fagúndez, Catherine; Peixoto de Abreu Lima, Alejandro; Suescun, Leopoldo; Sellanes, Diver; Seoane, Gustavo A.; Carrera, Ignacio","Efficient Access to the Iboga Skeleton: Optimized Procedure to Obtain Voacangine from Voacanga africana Root Bark","ACS Omega","2021","","","","","10.1021/acsomega.1c00745","","","1.54178","CuKα","","0.1552","0.1276","","","0.34","0.3659","","","","","","1.071","","","","has coordinates,has disorder","266689","2021-06-25","21:36:05",""
"4518834","21.993","0.003","54.505","0.006","10.1583","0.0011","90","","90","","90","","12177","3","250","2","250","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","voacamine","","","- C43 H54 N4 O6 -","- C43 H54 N4 O6 -","- C516 H648 N48 O72 -","12","3","","González, Bruno; Fagúndez, Catherine; Peixoto de Abreu Lima, Alejandro; Suescun, Leopoldo; Sellanes, Diver; Seoane, Gustavo A.; Carrera, Ignacio","Efficient Access to the Iboga Skeleton: Optimized Procedure to Obtain Voacangine from Voacanga africana Root Bark","ACS Omega","2021","","","","","10.1021/acsomega.1c00745","","","1.54178","CuKα","","0.1788","0.0877","","","0.1811","0.2249","","","","","","0.988","","","","has coordinates,has disorder","266689","2021-06-25","21:36:06",""
"4518835","9.386","0.0005","10.6137","0.0008","18.3018","0.001","90","","90","","90","","1823.2","0.2","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H27 Cl N2 O -","- C20 H27 Cl N2 O -","- C80 H108 Cl4 N8 O4 -","4","1","","González, Bruno; Fagúndez, Catherine; Peixoto de Abreu Lima, Alejandro; Suescun, Leopoldo; Sellanes, Diver; Seoane, Gustavo A.; Carrera, Ignacio","Efficient Access to the Iboga Skeleton: Optimized Procedure to Obtain Voacangine from Voacanga africana Root Bark","ACS Omega","2021","","","","","10.1021/acsomega.1c00745","","x-ray","1.54178","CuKα","","0.0632","0.0604","","","0.1459","0.1482","","","","","","1.085","","","","has coordinates,has disorder","266690","2021-06-25","21:36:35",""
"4518841","17.1759","0.0003","18.9809","0.0004","19.2456","0.0003","71.1697","0.0016","82.1883","0.0013","65.9852","0.0017","5424.41","0.19","93","","93","","","","","","","","","7","P -1","-P 1","2","","","","- C21 H35 Cl N4 O3 Se Si2 -","- C21 H35 Cl N4 O3 Se Si2 -","- C168 H280 Cl8 N32 O24 Se8 Si16 -","8","4","","Iwaoka, Michio; Hiyoshi, Yuta; Arai, Shota; Ito, Takeru","Synthesis of 4-Selenothreofuranose Derivatives via Pummerer-Type Reactions of trans-3,4-Dioxygenated Tetrahydroselenophenes Mediated by a Selenonium Intermediate","ACS Omega","2021","","","","","10.1021/acsomega.1c02160","","","0.71073","MoKα","","0.0695","0.0418","","","0.0713","0.0777","","","","","","1.008","","","","has coordinates","266738","2021-06-28","21:33:24",""
"4518842","22.866","0.003","9.3514","0.0007","25.515","0.002","90","","90.893","0.009","90","","5455.2","0.9","103","","103","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C21 H35 Cl N4 O3 Se Si2 -","- C21 H35 Cl N4 O3 Se Si2 -","- C168 H280 Cl8 N32 O24 Se8 Si16 -","8","2","","Iwaoka, Michio; Hiyoshi, Yuta; Arai, Shota; Ito, Takeru","Synthesis of 4-Selenothreofuranose Derivatives via Pummerer-Type Reactions of trans-3,4-Dioxygenated Tetrahydroselenophenes Mediated by a Selenonium Intermediate","ACS Omega","2021","","","","","10.1021/acsomega.1c02160","","","1.54184","CuKα","","0.1681","0.0979","","","0.2429","0.2819","","","","","","1.038","","","","has coordinates","266739","2021-06-28","21:34:00",""
"4518843","11.39","0.003","5.9749","0.0019","12.292","0.003","90","","107.52","0.03","90","","797.7","0.4","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","2b","(3R,4R/3S,4S)-Tetrahydroselenophene-3,4-diyl dibenzoate","","- C18 H16 O4 Se -","- C18 H16 O4 Se -","- C36 H32 O8 Se2 -","2","1","","Iwaoka, Michio; Hiyoshi, Yuta; Arai, Shota; Ito, Takeru","Synthesis of 4-Selenothreofuranose Derivatives via Pummerer-Type Reactions of trans-3,4-Dioxygenated Tetrahydroselenophenes Mediated by a Selenonium Intermediate","ACS Omega","2021","","","","","10.1021/acsomega.1c02160","","","0.71075","MoKα","","0.1855","0.1348","","","0.3477","0.3988","","","","","","1.067","","","","has coordinates","266740","2021-06-28","21:34:23",""
"4518844","9.7088","0.0011","10.2175","0.0009","21.667","0.002","90","","96.632","0.004","90","","2135","0.4","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","4b'","(3R,4R/3S,4S)-Tetrahydroselenophene-2,3,4-triyl tribenzoate","","- C25 H20 O6 Se -","- C25 H20 O6 Se -","- C100 H80 O24 Se4 -","4","1","","Iwaoka, Michio; Hiyoshi, Yuta; Arai, Shota; Ito, Takeru","Synthesis of 4-Selenothreofuranose Derivatives via Pummerer-Type Reactions of trans-3,4-Dioxygenated Tetrahydroselenophenes Mediated by a Selenonium Intermediate","ACS Omega","2021","","","","","10.1021/acsomega.1c02160","","","0.71075","MoKα","","0.0592","0.0372","","","0.0873","0.0982","","","","","","1.042","","","","has coordinates","266741","2021-06-28","21:35:04",""
"4518845","18.7678","0.0005","9.517","0.0002","15.5255","0.0005","90","","110.018","0.003","90","","2605.52","0.13","103","","103","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C21 H35 Cl N4 O3 Se Si2 -","- C21 H35 Cl N4 O3 Se Si2 -","- C84 H140 Cl4 N16 O12 Se4 Si8 -","4","1","","Iwaoka, Michio; Hiyoshi, Yuta; Arai, Shota; Ito, Takeru","Synthesis of 4-Selenothreofuranose Derivatives via Pummerer-Type Reactions of trans-3,4-Dioxygenated Tetrahydroselenophenes Mediated by a Selenonium Intermediate","ACS Omega","2021","","","","","10.1021/acsomega.1c02160","","","0.71073","MoKα","","0.0564","0.0397","","","0.0758","0.0803","","","","","","1.04","","","","has coordinates","266742","2021-06-28","21:35:28",""
"4518846","8.8839","0.0002","9.592","0.0002","17.6313","0.0005","84.285","0.002","80.343","0.002","63.044","0.002","1319.76","0.06","93","","93","","","","","","","","","7","P -1","-P 1","2","","","","- C21 H35 Cl N4 O3 Se Si2 -","- C21 H35 Cl N4 O3 Se Si2 -","- C42 H70 Cl2 N8 O6 Se2 Si4 -","2","1","","Iwaoka, Michio; Hiyoshi, Yuta; Arai, Shota; Ito, Takeru","Synthesis of 4-Selenothreofuranose Derivatives via Pummerer-Type Reactions of trans-3,4-Dioxygenated Tetrahydroselenophenes Mediated by a Selenonium Intermediate","ACS Omega","2021","","","","","10.1021/acsomega.1c02160","","","0.71073","MoKα","","0.0961","0.0765","","","0.2473","0.2908","","","","","","1.159","","","","has coordinates","266743","2021-06-28","21:35:54",""
"4518847","8.5156","0.0004","14.64","0.0004","20.2074","0.0005","90","","90","","90","","2519.22","0.15","100","","100","","","","","","","","","5","P b c a","-P 2ac 2ab","61","10a","(3R,4R/3S,4S)-2-Acetamidotetrahydroselenophene-3,4-diyl diacetate","","- C10 H15 N O5 Se -","- C10 H15 N O5 Se -","- C80 H120 N8 O40 Se8 -","8","1","","Iwaoka, Michio; Hiyoshi, Yuta; Arai, Shota; Ito, Takeru","Synthesis of 4-Selenothreofuranose Derivatives via Pummerer-Type Reactions of trans-3,4-Dioxygenated Tetrahydroselenophenes Mediated by a Selenonium Intermediate","ACS Omega","2021","","","","","10.1021/acsomega.1c02160","","","1.54187","CuKα","","0.0743","0.0671","","","0.1695","0.1775","","","","","","1.106","","","","has coordinates,has disorder","266744","2021-06-28","21:36:24",""
"4518863","10.5231","0.0013","35.876","0.004","15.4557","0.0018","90","","99.269","0.007","90","","5758.8","1.2","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C63 H49 B F20 N4 Zn -","- C63 H49 B F20 N4 Zn -","- C252 H196 B4 F80 N16 Zn4 -","4","1","","Li, Bin; Geoghegan, Blaise L.; Wölper, Christoph; Cutsail, George E.; Schulz, Stephan","Redox Activity of Noninnocent 2,2′-Bipyridine in Zinc Complexes: An Experimental and Theoretical Study","ACS Omega","2021","","","","","10.1021/acsomega.1c02201","","","0.71073","MoKα","","0.0761","0.0523","","","0.1102","0.1188","","","","","","1.122","","","","has coordinates","267345","2021-07-07","21:33:54",""
"4518864","10.5845","0.0006","12.273","0.0007","16.9985","0.001","98.799","0.003","92.551","0.003","106.999","0.002","2077.5","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C46 H57 N4 Zn -","- C42.5 H53 N4 Zn -","- C85 H106 N8 Zn2 -","2","1","","Li, Bin; Geoghegan, Blaise L.; Wölper, Christoph; Cutsail, George E.; Schulz, Stephan","Redox Activity of Noninnocent 2,2′-Bipyridine in Zinc Complexes: An Experimental and Theoretical Study","ACS Omega","2021","","","","","10.1021/acsomega.1c02201","","","0.71073","MoKα","","0.042","0.0352","","","0.1009","0.104","","","","","","1.103","","","","has coordinates,has disorder","267345","2021-07-07","21:33:55",""
"4518865","12.0286","0.0018","15.196","0.002","17.896","0.003","92.842","0.007","101.515","0.007","100.685","0.007","3137","0.8","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C64 H93 K N6 O6 Zn -","- C64 H93 K N6 O6 Zn -","- C128 H186 K2 N12 O12 Zn2 -","2","1","","Li, Bin; Geoghegan, Blaise L.; Wölper, Christoph; Cutsail, George E.; Schulz, Stephan","Redox Activity of Noninnocent 2,2′-Bipyridine in Zinc Complexes: An Experimental and Theoretical Study","ACS Omega","2021","","","","","10.1021/acsomega.1c02201","","","0.71073","MoKα","","0.1132","0.0756","","","0.2174","0.2452","","","","","","1.081","","","","has coordinates","267345","2021-07-07","21:33:55",""
"4518866","10.5804","0.0014","17.603","0.002","18.015","0.002","93.949","0.005","100.383","0.005","104.21","0.005","3176.7","0.7","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C63 H97 K N6 O7.5 Zn -","- C63 H97 K N6 O7.5 Zn -","- C126 H194 K2 N12 O15 Zn2 -","2","1","","Li, Bin; Geoghegan, Blaise L.; Wölper, Christoph; Cutsail, George E.; Schulz, Stephan","Redox Activity of Noninnocent 2,2′-Bipyridine in Zinc Complexes: An Experimental and Theoretical Study","ACS Omega","2021","","","","","10.1021/acsomega.1c02201","","","0.71073","MoKα","","0.0945","0.0638","","","0.1449","0.1637","","","","","","1.077","","","","has coordinates,has disorder","267345","2021-07-07","21:33:55",""
"4518877","35.658","0.004","12.1247","0.0013","20.754","0.003","90","","119.477","0.0014","90","","7811.4","1.7","123","2","123","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C44 H108 F24 N12 O12 P4 Pt4 Rh2 -","- C44 H108 F24 N12 O12 P4 Pt4 Rh2 -","- C176 H432 F96 N48 O48 P16 Pt16 Rh8 -","4","0.5","","Uemura, Kazuhiro; Yasuda, Erina; Sugiyama, Yuko","Improving the Solubility of Hexanuclear Heterometallic Extended Metal Atom Chain Compounds in Nonpolar Solvents by Introducing Alkyl Amine Moieties","ACS Omega","2021","","","","","10.1021/acsomega.1c02634","","","0.7107","MoKα","","0.0387","0.0347","","","0.0795","0.0822","","","","","","1.066","","","","has coordinates","267410","2021-07-08","21:42:14",""
"4518878","12.68","0.0016","12.8383","0.0015","15.356","0.002","80.918","0.005","89.778","0.006","64.518","0.003","2222.6","0.5","123","2","123","2","","","","","","","","8","P -1","-P 1","2","","","","- C52 H124 F18 N12 O14 P3 Pt4 Rh2 -","- C52 H124 F18 N12 O14 P3 Pt4 Rh2 -","- C52 H124 F18 N12 O14 P3 Pt4 Rh2 -","1","0.5","","Uemura, Kazuhiro; Yasuda, Erina; Sugiyama, Yuko","Improving the Solubility of Hexanuclear Heterometallic Extended Metal Atom Chain Compounds in Nonpolar Solvents by Introducing Alkyl Amine Moieties","ACS Omega","2021","","","","","10.1021/acsomega.1c02634","","","0.7107","MoKα","","0.0521","0.045","","","0.1087","0.117","","","","","","1.105","","","","has coordinates","267411","2021-07-08","21:42:32",""
"4518879","10.799","0.003","14.482","0.004","15.787","0.005","77.164","0.009","89.966","0.011","77.378","0.008","2346.1","1.2","123","2","123","2","","","","","","","","7","P -1","-P 1","2","","","","- C60 H140 Cl4 N12 O28 Pt4 Rh2 -","- C60 H140 Cl4 N12 O28 Pt4 Rh2 -","- C60 H140 Cl4 N12 O28 Pt4 Rh2 -","1","0.5","","Uemura, Kazuhiro; Yasuda, Erina; Sugiyama, Yuko","Improving the Solubility of Hexanuclear Heterometallic Extended Metal Atom Chain Compounds in Nonpolar Solvents by Introducing Alkyl Amine Moieties","ACS Omega","2021","","","","","10.1021/acsomega.1c02634","","","0.7107","MoKα","","0.0935","0.062","","","0.1092","0.1319","","","","","","1.199","","","","has coordinates","267412","2021-07-08","21:42:48",""
"4518887","11.397","0.002","19.505","0.004","15.746","0.003","90","","96.071","0.003","90","","3480.7","1.2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C35 H36 Cl2 Os P2 -","- C35 H36 Cl2 Os P2 -","- C140 H144 Cl8 Os4 P8 -","4","1","","Nabiyeva, Tomiris; Roufosse, Basile; Odachowski, Matylda; Baumgartner, Judith; Marschner, Christoph; Verma, Akalesh Kumar; Blom, Burgert","Osmium Arene Germyl, Stannyl, Germanate, and Stannate Complexes as Anticancer Agents","ACS Omega","2021","","","","","10.1021/acsomega.1c02665","","","0.71073","MoKα","","0.0412","0.0352","","","0.0757","0.0778","","","","","","1.081","","","","has coordinates","267471","2021-07-12","21:43:11",""
"4518888","10.624","0.002","20.878","0.006","16.83","0.004","90","","106.056","0.003","90","","3587.4","1.5","150","2","150","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C35 H32 Cl4 Ge Os P2 -","- C35 H32 Cl4 Ge Os P2 -","- C140 H128 Cl16 Ge4 Os4 P8 -","4","1","","Nabiyeva, Tomiris; Roufosse, Basile; Odachowski, Matylda; Baumgartner, Judith; Marschner, Christoph; Verma, Akalesh Kumar; Blom, Burgert","Osmium Arene Germyl, Stannyl, Germanate, and Stannate Complexes as Anticancer Agents","ACS Omega","2021","","","","","10.1021/acsomega.1c02665","","","0.71073","MoKα","","0.032","0.0312","","","0.0757","0.0761","","","","","","0.967","","","","has coordinates,has disorder","267471","2021-07-12","21:43:12",""
"4518889","9.31","0.0017","20.888","0.004","14.114","0.003","90","","104.53","0.003","90","","2656.9","0.9","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H21 Cl4 Ge Os P -","- C24 H21 Cl4 Ge Os P -","- C96 H84 Cl16 Ge4 Os4 P4 -","4","1","","Nabiyeva, Tomiris; Roufosse, Basile; Odachowski, Matylda; Baumgartner, Judith; Marschner, Christoph; Verma, Akalesh Kumar; Blom, Burgert","Osmium Arene Germyl, Stannyl, Germanate, and Stannate Complexes as Anticancer Agents","ACS Omega","2021","","","","","10.1021/acsomega.1c02665","","","0.71073","MoKα","","0.0752","0.0716","","","0.1328","0.1341","","","","","","1.336","","","","has coordinates","267471","2021-07-12","21:43:12",""
"4518890","10.579","0.002","21.025","0.006","16.813","0.004","90","","105.954","0.003","90","","3595.6","1.5","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C35 H36 Cl4 Os P2 Sn -","- C35 H36 Cl4 Os P2 Sn -","- C140 H144 Cl16 Os4 P8 Sn4 -","4","1","","Nabiyeva, Tomiris; Roufosse, Basile; Odachowski, Matylda; Baumgartner, Judith; Marschner, Christoph; Verma, Akalesh Kumar; Blom, Burgert","Osmium Arene Germyl, Stannyl, Germanate, and Stannate Complexes as Anticancer Agents","ACS Omega","2021","","","","","10.1021/acsomega.1c02665","","","0.71073","MoKα","","0.0225","0.0217","","","0.0501","0.0506","","","","","","0.704","","","","has coordinates,has disorder","267471","2021-07-12","21:43:12",""
"4518891","14.752","0.003","10.517","0.002","18.496","0.003","90","","90","","90","","2869.6","0.9","150","2","150","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C28 H29 Cl4 Os P Sn -","- C28 H29 Cl4 Os P Sn -","- C112 H116 Cl16 Os4 P4 Sn4 -","4","1","","Nabiyeva, Tomiris; Roufosse, Basile; Odachowski, Matylda; Baumgartner, Judith; Marschner, Christoph; Verma, Akalesh Kumar; Blom, Burgert","Osmium Arene Germyl, Stannyl, Germanate, and Stannate Complexes as Anticancer Agents","ACS Omega","2021","","","","","10.1021/acsomega.1c02665","","","0.71073","MoKα","","0.0668","0.0631","","","0.1386","0.1406","","","","","","1.211","","","","has coordinates","267471","2021-07-12","21:43:12",""
"4518894","11.1701","0.0003","21.3786","0.0005","18.8905","0.0005","90","","90.194","0.002","90","","4511","0.2","160","15","160","15","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C45 H50 F3 N4 Na O14 S -","- C45 H50 F3 N4 Na O14 S -","- C180 H200 F12 N16 Na4 O56 S4 -","4","1","","Yang, Han; Poznik, Michal; Tang, Shaojian; Xue, Peng; Du, Lidong; Liu, Chenlu; Chen, Xiaochuan; Chruma, Jason J.","Synthesis of Conformationally Liberated Yohimbine Analogues and Evaluation of Cytotoxic Activity","ACS Omega","2021","","","","","10.1021/acsomega.1c02784","","x-ray","1.54184","CuKα","","0.0681","0.0614","","","0.1681","0.1762","","","","","","1.031","","","","has coordinates,has disorder","267534","2021-07-14","21:41:54",""
"4518895","8.08181","0.00013","10.73068","0.00014","24.3476","0.0004","90","","90","","90","","2111.5","0.06","100","0.1","100","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C24 H36 O6 -","- C24 H36 O6 -","- C96 H144 O24 -","4","1","","Chen, Sijia; Zhang, Zhongchao; Jiang, Chongguo; Zhao, Chunbo; Luo, Haojie; Huang, Jun; Yang, Zhen","Stereoselective Synthesis of trans-Decalin-Based Spirocarbocycles via Photocyclization of 1,2-Diketones","ACS Omega","2021","","","","","10.1021/acsomega.1c02054","","x-ray","1.54184","CuKα","","0.0283","0.0281","","","0.0731","0.0734","","","","","","1.055","","","","has coordinates","267535","2021-07-14","21:42:28",""
"4518896","8.17106","0.00013","34.8703","0.0006","9.23924","0.00015","90","","91.1734","0.0015","90","","2631.96","0.08","100","0.1","100","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C19 H28 O6 -","- C19 H28 O6 -","- C114 H168 O36 -","6","3","","Chen, Sijia; Zhang, Zhongchao; Jiang, Chongguo; Zhao, Chunbo; Luo, Haojie; Huang, Jun; Yang, Zhen","Stereoselective Synthesis of trans-Decalin-Based Spirocarbocycles via Photocyclization of 1,2-Diketones","ACS Omega","2021","","","","","10.1021/acsomega.1c02054","","x-ray","1.54184","CuKα","","0.035","0.0346","","","0.0905","0.0908","","","","","","1.043","","","","has coordinates","267536","2021-07-14","21:42:54",""
"4518904","5.2854","0.0014","12.56","0.003","14.308","0.004","90","","90","","90","","949.8","0.4","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C5 H4 F3 N7 O3 -","- C5 H4 F3 N7 O3 -","- C20 H16 F12 N28 O12 -","4","1","","Yan, Zhengfeng; Lu, Tingting; Liu, Yajing; Liu, Weixiao; Zhao, Baodong; Wang, Yinglei; Ge, Zhongxue","High Thermal Stability and Insensitive Fused Triazole-Triazine Trifluoromethyl-Containing Explosives (TFX)","ACS Omega","2021","","","","","10.1021/acsomega.1c01018","","","1.34139","GaKα","","0.0741","0.0713","","","0.2058","0.2129","","","","","","1.105","","","","has coordinates","267629","2021-07-18","21:37:28",""
"4518922","5.6471","0.0007","9.3471","0.0012","20.515","0.002","86.434","0.006","89.453","0.006","83.523","0.006","1073.9","0.2","293","","293","","","","","","","","","4","P -1","-P 1","2","","","","- C26 H22 N4 O -","- C26 H22 N4 O -","- C52 H44 N8 O2 -","2","1","","BinSabt, Mohammad H.; Al-Matar, Hamad M.; Balch, Alan L.; Shalaby, Mona A.","Synthesis and Electrochemistry of Novel Dumbbell-Shaped Bis-pyrazolino[60]fullerene Derivatives Formed Using Microwave Radiation","ACS Omega","2021","","","","","10.1021/acsomega.1c02245","","","0.71075","MoKα","","0.1575","0.048","","","0.0789","0.1011","","","","","","0.859","","","","has coordinates","267786","2021-07-28","21:39:04",""
"4519003","6.4476","0.0002","9.4727","0.0003","12.1525","0.0003","96.18","0.002","92.803","0.002","108.433","0.003","697.34","0.04","150","0.1","150","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C16 H14 N2 O S -","- C16 H14 N2 O S -","- C32 H28 N4 O2 S2 -","2","1","","Bhattacharya, Anwesha; Thirupathi, Annaram; Natarajan, Pradeep; Peruncheralathan, Saravanan","Chemoselective Ullmann Reaction of α-Trisubstituted Thioamides: Synthesis of Novel 2-Iminobenzothiolanes.","ACS omega","2021","6","32","21169","21180","10.1021/acsomega.1c03410","","x-ray","1.54184","CuKα","","0.0421","0.0385","","","0.1051","0.1054","","","","","","1.0423","","","","has coordinates","268428","2021-09-03","20:23:24",""
"4519004","8.1526","0.0002","9.0963","0.0002","10.4069","0.0002","106.308","0.002","104.374","0.002","103.637","0.002","677.68","0.03","293","2","291","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H12 N2 S -","- C16 H12 N2 S -","- C32 H24 N4 S2 -","2","1","","Bhattacharya, Anwesha; Thirupathi, Annaram; Natarajan, Pradeep; Peruncheralathan, Saravanan","Chemoselective Ullmann Reaction of α-Trisubstituted Thioamides: Synthesis of Novel 2-Iminobenzothiolanes.","ACS omega","2021","6","32","21169","21180","10.1021/acsomega.1c03410","","x-ray","1.54184","CuKα","","0.0424","0.0408","","","0.1094","0.1105","","","","","","1.0462","","","","has coordinates","268429","2021-09-03","20:23:47",""
"4519005","10.246","0.0005","12.0419","0.0007","15.9309","0.0008","92.106","0.001","102.831","0.001","112.696","0.001","1751.64","0.16","100","2","100","2","","","","","","","","4","P -1","-P 1","2","Pm-BBP","","","- C48 H30 N4 O2 -","- C48 H30 N4 O2 -","- C96 H60 N8 O4 -","2","1","","Mukhopadhyay, Arindam; Jindal, Swati; Maka, Vijay Kumar; Moorthy, Jarugu Narasimha","Contrasting Photochromic and Acidochromic Behaviors of Pyridyl- and Pyrimidylethynylated Mono- and Bis-Benzopyrans.","ACS omega","2021","6","32","21113","21124","10.1021/acsomega.1c02948","","","0.71073","MoKα","","0.0945","0.0591","","","0.1362","0.1553","","","","","","1.013","","","","has coordinates","268430","2021-09-03","20:24:07",""
"4519006","21.622","0.001","14.9773","0.001","16.9507","0.0009","90","","107.267","0.002","90","","5241.9","0.5","273","2","273","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Py-MBP","","","- C36 H25 N2 O2.5 -","- C36 H25 N2 O2.5 -","- C288 H200 N16 O20 -","8","1","","Mukhopadhyay, Arindam; Jindal, Swati; Maka, Vijay Kumar; Moorthy, Jarugu Narasimha","Contrasting Photochromic and Acidochromic Behaviors of Pyridyl- and Pyrimidylethynylated Mono- and Bis-Benzopyrans.","ACS omega","2021","6","32","21113","21124","10.1021/acsomega.1c02948","","","0.71073","MoKα","","0.1004","0.0517","","","0.1044","0.115","","","","","","1.02","","","","has coordinates","302124","2025-09-12","17:46:23",""
"4519007","14.4202","0.0006","9.3653","0.0004","37.5025","0.0017","90","","90.967","0.002","90","","5064","0.4","100","2","100","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","TFA salt of Py-BBP","","","- C58 H36 F12 N2 O10 -","- C58 H36 F12 N2 O10 -","- C232 H144 F48 N8 O40 -","4","0.5","","Mukhopadhyay, Arindam; Jindal, Swati; Maka, Vijay Kumar; Moorthy, Jarugu Narasimha","Contrasting Photochromic and Acidochromic Behaviors of Pyridyl- and Pyrimidylethynylated Mono- and Bis-Benzopyrans.","ACS omega","2021","6","32","21113","21124","10.1021/acsomega.1c02948","","","0.71073","MoKα","","0.1403","0.0678","","","0.1347","0.1661","","","","","","1.05","","","","has coordinates","268432","2021-09-03","20:24:54",""
"4519008","8.6204","0.0005","9.516","0.0005","14.2523","0.0009","108.353","0.002","100.322","0.002","94.923","0.002","1078.97","0.11","100","2","100","2","","","","","","","","5","P -1","-P 1","2","Py-BBP","","","- C52 H34 Cl6 N2 O2 -","- C52 H34 Cl6 N2 O2 -","- C52 H34 Cl6 N2 O2 -","1","0.5","","Mukhopadhyay, Arindam; Jindal, Swati; Maka, Vijay Kumar; Moorthy, Jarugu Narasimha","Contrasting Photochromic and Acidochromic Behaviors of Pyridyl- and Pyrimidylethynylated Mono- and Bis-Benzopyrans.","ACS omega","2021","6","32","21113","21124","10.1021/acsomega.1c02948","","","0.71073","MoKα","","0.0713","0.0447","","","0.0895","0.1023","","","","","","1.028","","","","has coordinates","268433","2021-09-03","20:25:09",""
"4519009","16.6568","0.0009","27.3432","0.0014","16.0488","0.0008","90","","110.19","0.001","90","","6860.3","0.6","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Pm-MBP","","- C72 H50 Cl12 N8 O5 -","- C72 H50 Cl12 N8 O5 -","- C288 H200 Cl48 N32 O20 -","4","1","","Mukhopadhyay, Arindam; Jindal, Swati; Maka, Vijay Kumar; Moorthy, Jarugu Narasimha","Contrasting Photochromic and Acidochromic Behaviors of Pyridyl- and Pyrimidylethynylated Mono- and Bis-Benzopyrans.","ACS omega","2021","6","32","21113","21124","10.1021/acsomega.1c02948","","","0.71073","MoKα","","0.1919","0.1084","","","0.2921","0.3305","","","","","","1.073","","","","has coordinates,has disorder","268434","2021-09-03","20:25:30",""
"4519010","6.9892","0.0012","9.8482","0.0016","17.931","0.003","90","","90.995","0.002","90","","1234","0.4","273","2","273","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C22 H18 F6 Fe2 N O4 S2 -","- C22 H18 F6 Fe2 N O4 S2 -","- C44 H36 F12 Fe4 N2 O8 S4 -","2","0.5","","Kimata, Hironori; Inagaki, Takashi; Mochida, Tomoyuki","Anion-Ordering Phase Transitions in Biferrocenium and Ferrocenium Salts with the Bis(trifluoromethanesulfonyl)amide Anion.","ACS omega","2021","6","32","21139","21146","10.1021/acsomega.1c03059","","","0.71073","MoKα","","0.0665","0.0598","","","0.1497","0.1553","","","","","","1.109","","","","has coordinates,has disorder","268435","2021-09-03","20:25:53",""
"4519011","16.5057","0.0018","14.3305","0.0016","28.243","0.003","90","","90.968","0.002","90","","6679.5","1.3","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C12 H10 F6 Fe N O4 S2 -","- C12 H10 F6 Fe N O4 S2 -","- C192 H160 F96 Fe16 N16 O64 S32 -","16","8","","Kimata, Hironori; Inagaki, Takashi; Mochida, Tomoyuki","Anion-Ordering Phase Transitions in Biferrocenium and Ferrocenium Salts with the Bis(trifluoromethanesulfonyl)amide Anion.","ACS omega","2021","6","32","21139","21146","10.1021/acsomega.1c03059","","","0.71073","MoKα","","0.0409","0.0363","","","0.0995","0.1034","","","","","","1.05","","","","has coordinates,has disorder","268436","2021-09-03","20:26:17",""
"4519012","14.385","0.003","20.809","0.005","23.264","0.005","90","","90","","90","","6964","3","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C32 H38 F6 Fe2 N O4 S2 -","- C32 H38 F6 Fe2 N O4 S2 -","- C256 H304 F48 Fe16 N8 O32 S16 -","8","2","","Kimata, Hironori; Inagaki, Takashi; Mochida, Tomoyuki","Anion-Ordering Phase Transitions in Biferrocenium and Ferrocenium Salts with the Bis(trifluoromethanesulfonyl)amide Anion.","ACS omega","2021","6","32","21139","21146","10.1021/acsomega.1c03059","","","0.71073","MoKα","","0.0573","0.0503","","","0.1251","0.1308","","","","","","1.052","","","","has coordinates","268437","2021-09-03","20:26:42",""
"4519013","10.5371","0.0005","23.5057","0.0012","14.5393","0.0007","90","","90","","90","","3601.1","0.3","273","2","273","2","","","","","","","","7","C m c e","-C 2ac 2","64","","","","- C32 H38 F6 Fe2 N O4 S2 -","- C32 H38 F6 Fe2 N O4 S2 -","- C128 H152 F24 Fe8 N4 O16 S8 -","4","0.25","","Kimata, Hironori; Inagaki, Takashi; Mochida, Tomoyuki","Anion-Ordering Phase Transitions in Biferrocenium and Ferrocenium Salts with the Bis(trifluoromethanesulfonyl)amide Anion.","ACS omega","2021","6","32","21139","21146","10.1021/acsomega.1c03059","","","0.71073","MoKα","","0.0702","0.0634","","","0.1945","0.2055","","","","","","1.057","","","","has coordinates","268438","2021-09-03","20:27:02",""
"4519014","22.883","0.005","9.712","0.002","32.042","0.007","90","","96.052","0.002","90","","7081","3","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C22 H18 F6 Fe2 N O4 S2 -","- C22 H18 F6 Fe2 N O4 S2 -","- C264 H216 F72 Fe24 N12 O48 S24 -","12","3","","Kimata, Hironori; Inagaki, Takashi; Mochida, Tomoyuki","Anion-Ordering Phase Transitions in Biferrocenium and Ferrocenium Salts with the Bis(trifluoromethanesulfonyl)amide Anion.","ACS omega","2021","6","32","21139","21146","10.1021/acsomega.1c03059","","","0.71073","MoKα","","0.1215","0.0885","","","0.1997","0.2225","","","","","","1.007","","","","has coordinates,has disorder","268439","2021-09-03","20:27:27",""
"4519015","11.9414","0.0004","15.0754","0.0003","12.8497","0.0005","90","","116.707","0.005","90","","2066.44","0.15","293","2","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H16 N2 O9 Ru -","- C18 H16 N4 O9 Ru -","- C72 H64 N16 O36 Ru4 -","4","1","","Zheng, Zhiwei; Arai, Tsuyoshi; Takao, Koichiro","Complexation-Distribution Separated Solvent Extraction Process Designed for Rapid and Efficient Recovery of Inert Platinum Group Metals.","ACS omega","2021","6","33","21809","21818","10.1021/acsomega.1c03565","","","0.71073","MoKα","","0.0601","0.0387","","","0.1017","0.1148","","","","","","0.957","","","","has coordinates","268440","2021-09-03","20:27:53",""
"4519016","12.384","0.006","19.821","0.009","19.834","0.009","103.858","0.013","90.682","0.014","102.42","0.013","4606","4","","","","","","","","","","","","6","P -1","-P 1","2","","","","- C74 H70 F42 N4 O12 Sm2 -","- C74 H70 F42 N4 O12 Sm2 -","- C148 H140 F84 N8 O24 Sm4 -","2","1","","Ganaie, Aabid Bashir; Iftikhar, Khalid","Theoretical Modeling (Sparkle RM1 and PM7) and Crystal Structures of the Luminescent Dinuclear Sm(III) and Eu(III) Complexes of 6,6,7,7,8,8,8- Heptafluoro-2,2-dimethyl-3,5-octanedione and 2,3-Bis(2-pyridyl)pyrazine: Determination of Individual Spectroscopic Parameters for Two Unique Eu<sup>3+</sup> Sites.","ACS omega","2021","6","33","21207","21226","10.1021/acsomega.0c05976","","","","","","0.154","","","","","","","","","","","","","","","has coordinates","296836","2024-12-11","09:52:07",""
"4519071","18.3668","0.0011","18.3668","0.0011","49.803","0.003","90","","90","","120","","14549.7","1.5","293","2","293","2","","","","","","","","6","P -3 c 1","-P 3 2""c","165","","","","- C31 H23 Cu2 N3 O13 P2 -","- C31 H23 Cu2 N3 O13 P2 -","- C372 H276 Cu24 N36 O156 P24 -","12","1","","Han, Jing-Hua; Hu, Bing-Qian; Li, Tangming; Liang, Hao; Yu, Fan; Zhao, Qiang; Li, Bao","Synthesis, Structures, and Sorption Properties of Two New Metal-Organic Frameworks Constructed by the Polycarboxylate Ligand Derived from Cyclotriphosphazene.","ACS omega","2021","6","36","23110","23116","10.1021/acsomega.1c02492","","","0.71073","MoKα","","0.1819","0.1062","","","0.2921","0.3301","","","","","","0.974","","","","has coordinates","269493","2021-10-03","20:32:06",""
"4519072","16.652","0.0012","33.684","0.002","16.5376","0.0012","90","","90.498","0.001","90","","9275.7","1.1","273","2","273.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C62 H40 Cu3 N7 O24 P3 -","- C62 H40 Cu3 N7 O24 P3 -","- C248 H160 Cu12 N28 O96 P12 -","4","0.5","","Han, Jing-Hua; Hu, Bing-Qian; Li, Tangming; Liang, Hao; Yu, Fan; Zhao, Qiang; Li, Bao","Synthesis, Structures, and Sorption Properties of Two New Metal-Organic Frameworks Constructed by the Polycarboxylate Ligand Derived from Cyclotriphosphazene.","ACS omega","2021","6","36","23110","23116","10.1021/acsomega.1c02492","","","0.71073","MoKα","","0.0586","0.0467","","","0.14","0.1469","","","","","","1.012","","","","has coordinates","269494","2021-10-03","20:32:33",""
"4519073","10.5327","0.0013","13.9466","0.0018","15.712","0.002","63.727","0.002","74.453","0.002","78.923","0.002","1986.6","0.4","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C40 H50 F6 Fe N7 O Sb -","- C40 H50 F6 Fe N7 O Sb -","- C80 H100 F12 Fe2 N14 O2 Sb2 -","2","1","","Khade, Rahul L.; Abucayon, Erwin G.; Powell, Douglas R.; Richter-Addo, George B.; Zhang, Yong","Insights into the Observed trans-Bond Length Variations upon NO Binding to Ferric and Ferrous Porphyrins with Neutral Axial Ligands","ACS Omega","2021","6","38","24777","24787","10.1021/acsomega.1c03610","","","0.71073","MoKα","","0.0771","0.0489","","","0.1284","0.1473","","","","","","1.008","","","","has coordinates,has disorder","269495","2021-10-03","20:32:56",""
"4519074","9.9783","0.0012","10.928","0.0013","11.3674","0.0014","75.369","0.0018","88.574","0.0019","66.4191","0.0018","1095.1","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H56 F6 Fe N8 Sb -","- C44 H56 F6 Fe N8 Sb -","- C44 H56 F6 Fe N8 Sb -","1","0.5","","Khade, Rahul L.; Abucayon, Erwin G.; Powell, Douglas R.; Richter-Addo, George B.; Zhang, Yong","Insights into the Observed trans-Bond Length Variations upon NO Binding to Ferric and Ferrous Porphyrins with Neutral Axial Ligands","ACS Omega","2021","6","38","24777","24787","10.1021/acsomega.1c03610","","","0.71073","MoKα","","0.0294","0.0257","","","0.0673","0.0713","","","","","","1.012","","","","has coordinates,has disorder","269496","2021-10-03","20:33:14",""
"4519075","11.502","0.004","13.713","0.004","13.952","0.004","66.47","0.007","82.509","0.008","78.86","0.007","1976.1","1.1","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H50 F6 Fe N6 Sb -","- C40 H50 F6 Fe N6 Sb -","- C80 H100 F12 Fe2 N12 Sb2 -","2","1","","Khade, Rahul L.; Abucayon, Erwin G.; Powell, Douglas R.; Richter-Addo, George B.; Zhang, Yong","Insights into the Observed trans-Bond Length Variations upon NO Binding to Ferric and Ferrous Porphyrins with Neutral Axial Ligands","ACS Omega","2021","6","38","24777","24787","10.1021/acsomega.1c03610","","","0.71073","MoKα","","0.1506","0.0732","","","0.1527","0.1872","","","","","","1.012","","","","has coordinates,has disorder","269497","2021-10-03","20:33:34",""
"4519076","16.2677","0.0002","16.0705","0.0002","11.287","0.0002","90","","90","","90","","2950.76","0.07","296","2","296.15","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C22 H48 N4 O6 Ta -","- C22 H48 N4 O6 Ta -","- C88 H192 N16 O24 Ta4 -","4","0.5","","Hwang, Jeong Min; Lee, Sung Kwang; Shin, Sunyoung; Jeong, Ji-Seoung; Kim, Hae Sun; Ryu, Ji Yeon; Eom, Taeyong; Park, Bo Keun; Kim, Chang Gyoun; Chung, Taek-Mo","New Volatile Tantalum Imido Precursors with Carboxamide Ligands","ACS Omega","2021","6","38","24795","24802","10.1021/acsomega.1c03659","","x-ray","0.71073","MoKα","","0.0172","0.0148","","","0.0377","0.0387","","","","","","1.0435","","","","has coordinates","269498","2021-10-03","20:34:07",""
"4519077","11.4733","0.0003","16.5773","0.0004","17.1424","0.0004","90","","95.6888","0.0017","90","","3244.36","0.14","296.15","","296.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H50 N4 O6 Ta -","- C25 H50 N4 O6 Ta -","- C100 H200 N16 O24 Ta4 -","4","1","","Hwang, Jeong Min; Lee, Sung Kwang; Shin, Sunyoung; Jeong, Ji-Seoung; Kim, Hae Sun; Ryu, Ji Yeon; Eom, Taeyong; Park, Bo Keun; Kim, Chang Gyoun; Chung, Taek-Mo","New Volatile Tantalum Imido Precursors with Carboxamide Ligands","ACS Omega","2021","6","38","24795","24802","10.1021/acsomega.1c03659","","x-ray","0.71073","MoKα","","0.0829","0.0636","","","0.157","0.1715","","","","","","1.1031","","","","has coordinates,has disorder","269499","2021-10-03","20:34:44",""
"4519078","24.089","0.0012","13.5356","0.0007","18.7495","0.0009","90","","105.603","0.002","90","","5888.2","0.5","100","1","100","1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Ta(NtBu)(mdpa)3","","","- C42 H84 N6 O14 Ta2 -","- C42 H84 N6 O14 Ta2 -","- C168 H336 N24 O56 Ta8 -","4","0.5","","Hwang, Jeong Min; Lee, Sung Kwang; Shin, Sunyoung; Jeong, Ji-Seoung; Kim, Hae Sun; Ryu, Ji Yeon; Eom, Taeyong; Park, Bo Keun; Kim, Chang Gyoun; Chung, Taek-Mo","New Volatile Tantalum Imido Precursors with Carboxamide Ligands","ACS Omega","2021","6","38","24795","24802","10.1021/acsomega.1c03659","","","0.71073","MoKa","","0.0252","0.0228","","","0.0564","0.0572","","","","","","1.093","","","","has coordinates","269500","2021-10-03","20:35:09",""
"4519079","5.9104","0.0013","11.2158","0.0016","31.305","0.008","90","","90.21","0.02","90","","2075.2","0.8","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1,1'-([2,2':5',2''-terthiophene]-5,5''-diyl)bis(2,2-dimethylpropan-1-one)","","- C22 H24 O2 S3 -","- C22 H24 O2 S3 -","- C88 H96 O8 S12 -","4","1","","Langhals, Heinz; Schlücker, Thorben; Reiners, Felix; Karaghiosoff, Konstantin","Terminal Terthiophenediones: Fast-Decay Fluorescent Dyes and Their Efficient Syntheses","ACS Omega","2021","6","38","24973","24980","10.1021/acsomega.1c04010","","","0.71073","MoKα","","0.1885","0.0798","","","0.0762","0.1009","","","","","","0.975","","","","has coordinates","269501","2021-10-03","20:35:38",""
"4519102","11.0125","0.0016","6.523","0.0011","14.3222","0.0012","90","","90","","90","","1028.8","0.2","290.69","0.16","290.69","0.16","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C40 H32 Br4 N4 O12 -","- C40 H32 Br4 N4 O12 -","- C40 H32 Br4 N4 O12 -","1","0.125","","Lipon, Tyrchain Mitre; Marpna, Ibakyntiew D.; Wanniang, Kmendashisha; Shangpliang, O. Risuklang; Laloo, Badaker M.; Nongkhlaw, Rishanlang; Myrboh, Bekington","Selenium Dioxide-Mediated Bromination of α,β-Unsaturated Ketones Using <i>N</i>-Bromosuccinimide in the Presence of <i>p</i>-Toluenesulfonic Acid: A Versatile Route for the Synthesis of α'-Bromo-4-arylbut-3-en-2-one and α',α'-Dibromo-4-arylbut-3-en-2-one.","ACS omega","2021","6","41","27466","27477","10.1021/acsomega.1c04352","","x-ray","0.71073","MoKα","","0.1376","0.0639","","","0.1057","0.1307","","","","","","1.011","","","","has coordinates","270242","2021-11-03","21:12:50",""
"4519103","19.939","0.005","7.058","0.003","8.04","0.003","90","","90","","90","","1131.5","0.7","291.6","0.3","291.6","0.3","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C40 H28 Br8 Cl4 O4 -","- C40 H28 Br8 Cl4 O4 -","- C40 H28 Br8 Cl4 O4 -","1","0.125","","Lipon, Tyrchain Mitre; Marpna, Ibakyntiew D.; Wanniang, Kmendashisha; Shangpliang, O. Risuklang; Laloo, Badaker M.; Nongkhlaw, Rishanlang; Myrboh, Bekington","Selenium Dioxide-Mediated Bromination of α,β-Unsaturated Ketones Using <i>N</i>-Bromosuccinimide in the Presence of <i>p</i>-Toluenesulfonic Acid: A Versatile Route for the Synthesis of α'-Bromo-4-arylbut-3-en-2-one and α',α'-Dibromo-4-arylbut-3-en-2-one.","ACS omega","2021","6","41","27466","27477","10.1021/acsomega.1c04352","","x-ray","0.71073","MoKα","","0.1899","0.1168","","","0.2487","0.294","","","","","","1.095","","","","has coordinates","270243","2021-11-03","21:13:08",""
"4519104","7.7137","0.0005","9.9031","0.0011","10.9047","0.0011","92.5","0.008","94.608","0.007","103.797","0.007","804.66","0.13","295","2","295","2","","","","","","","","3","P -1","-P 1","2","","","","- C19 H20 O4 -","- C19 H20 O4 -","- C38 H40 O8 -","2","1","","Liu, Kuan-Ting; Chuang, Jia-Yu; Jeng, Ru-Jong; Leung, Man-Kit","Sustainable Synthesis of Cyclic Carbonates from Terminal Epoxides by a Highly Efficient CaI<sub>2</sub>/1,3-Bis[tris(hydroxymethyl)-methylamino]-propane Catalyst.","ACS omega","2021","6","41","27279","27287","10.1021/acsomega.1c04086","","","0.71073","MoKα","","0.1416","0.0808","","","0.1835","0.2458","","","","","","1.087","","","","has coordinates,has disorder","270244","2021-11-03","21:13:28",""
"4519105","15.779","0.002","8.8435","0.001","13.4059","0.0017","90","","90","","90","","1870.7","0.4","150","2","150","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C11 H30 Ca Cl2 N2 O8 -","- C11 H30 Ca Cl2 N2 O8 -","- C44 H120 Ca4 Cl8 N8 O32 -","4","1","","Liu, Kuan-Ting; Chuang, Jia-Yu; Jeng, Ru-Jong; Leung, Man-Kit","Sustainable Synthesis of Cyclic Carbonates from Terminal Epoxides by a Highly Efficient CaI<sub>2</sub>/1,3-Bis[tris(hydroxymethyl)-methylamino]-propane Catalyst.","ACS omega","2021","6","41","27279","27287","10.1021/acsomega.1c04086","","","0.71073","MoKα","","0.1065","0.0658","","","0.1581","0.203","","","","","","1.089","","","","has coordinates","270245","2021-11-03","21:13:50",""
"4519106","29.327","0.006","5.869","0.0009","12.6542","0.0017","90","","108.828","0.014","90","","2061.5","0.6","150","2","150","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C23 H24 O8 -","- C23 H24 O8 -","- C92 H96 O32 -","4","0.5","","Liu, Kuan-Ting; Chuang, Jia-Yu; Jeng, Ru-Jong; Leung, Man-Kit","Sustainable Synthesis of Cyclic Carbonates from Terminal Epoxides by a Highly Efficient CaI<sub>2</sub>/1,3-Bis[tris(hydroxymethyl)-methylamino]-propane Catalyst.","ACS omega","2021","6","41","27279","27287","10.1021/acsomega.1c04086","","","0.71073","MoKα","","0.0891","0.0742","","","0.1973","0.214","","","","","","1.042","","","","has coordinates","270246","2021-11-03","21:14:13",""
"4519107","20.3394","0.0009","7.8242","0.0003","9.5561","0.0004","90","","100.644","0.002","90","","1494.59","0.11","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Tribasic silver periodate","","- Ag2 H24 I4 K6 O32 -","- Ag2 H24 I4 K6 O32 -","- Ag4 H48 I8 K12 O64 -","2","0.25","","Spina, Carla J.; Notarandrea-Alfonzo, Johanny E; Guerra, Elizabeth D.; Goodall, Carlie; Bohle, D. Scott; Precht, Rod","Synthesis and Structural and Spectroscopic Studies of a pH-Neutral Argentic Chelate Complex: Tribasic Silver (III) Bisperiodate.","ACS omega","2021","6","41","27017","27025","10.1021/acsomega.1c03523","","","0.71073","MoKα","","0.0264","0.0221","","","0.0495","0.051","","","","","","1.079","","","","has coordinates","270247","2021-11-03","21:14:36",""
"4519108","21.358","0.003","7.2946","0.0011","22.017","0.003","90","","118.225","0.002","90","","3022.3","0.7","293","2","293.15","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C19 H17 N O4 -","- C19 H17 N O4 -","- C152 H136 N8 O32 -","8","1","","Mandal, Tirtha; Karmakar, Shilpi; Kapat, Ajoy; Dash, Jyotirmayee","Studies Directed towards the Synthesis of the Acridone Family of Natural Products: Total Synthesis of Acronycines and Atalaphyllidines.","ACS omega","2021","6","41","27062","27069","10.1021/acsomega.1c03629","","","0.71073","MoKα","","0.0651","0.044","","","0.1106","0.1222","","","","","","1.034","","","","has coordinates","270248","2021-11-03","21:15:00",""
"4519109","8.4267","0.0006","14.1473","0.0009","21.5478","0.0013","89.327","0.003","87.798","0.004","75.631","0.004","2486.6","0.3","103","2","103","2","","","","","","","","6","P -1","-P 1","2","","","","- C16.62 H7.25 Cl1.25 O11 Os3 S -","- C16.625 H7.25 Cl1.25 O11 Os3 S -","- C66.5 H29 Cl5 O44 Os12 S4 -","4","2","","Kong, Jia Wen; Lam, Zhiyong; Chan, Kiat Hwa; Ganguly, Rakesh; Joey Lee, Jia-Ying; Loo, Lit-Hsin; Webster, Richard D.; Wong, Zhen Xuan; Leong, Weng Kee","Group VIII Metal Carbonyl Cluster-Boronic Acid Conjugates: Cytotoxicity and Mode of Action Studies","ACS Omega","2021","6","43","29045","29053","10.1021/acsomega.1c04116","","","0.71073","MoKα","","0.0911","0.0636","","","0.1488","0.1674","","","","","","1.059","","","","has coordinates","270249","2021-11-03","21:15:27",""
"4519110","9.0414","0.0004","20.8788","0.0008","22.4877","0.001","65.347","0.002","86.861","0.003","81.045","0.003","3810.9","0.3","103","2","103","2","","","","","","","","6","P -1","-P 1","2","lwk476","","","- C57.8 H26.2 B3 O33 Os9 S3 -","- C57.8 H26.2 B3 O33 Os9 S3 -","- C115.6 H52.4 B6 O66 Os18 S6 -","2","1","","Kong, Jia Wen; Lam, Zhiyong; Chan, Kiat Hwa; Ganguly, Rakesh; Joey Lee, Jia-Ying; Loo, Lit-Hsin; Webster, Richard D.; Wong, Zhen Xuan; Leong, Weng Kee","Group VIII Metal Carbonyl Cluster-Boronic Acid Conjugates: Cytotoxicity and Mode of Action Studies","ACS Omega","2021","6","43","29045","29053","10.1021/acsomega.1c04116","","","0.71073","MoKα","","0.0879","0.063","","","0.1537","0.1724","","","","","","0.99","","","","has coordinates,has disorder","270250","2021-11-03","21:15:53",""
"4519111","8.4854","0.0005","12.0178","0.0006","12.884","0.0007","81.639","0.003","77.714","0.003","76.102","0.003","1240.01","0.12","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H8 Cl2 O12 Os3 S -","- C18 H8 Cl2 O12 Os3 S -","- C36 H16 Cl4 O24 Os6 S2 -","2","1","","Kong, Jia Wen; Lam, Zhiyong; Chan, Kiat Hwa; Ganguly, Rakesh; Joey Lee, Jia-Ying; Loo, Lit-Hsin; Webster, Richard D.; Wong, Zhen Xuan; Leong, Weng Kee","Group VIII Metal Carbonyl Cluster-Boronic Acid Conjugates: Cytotoxicity and Mode of Action Studies","ACS Omega","2021","6","43","29045","29053","10.1021/acsomega.1c04116","","","0.71073","MoKα","","0.0442","0.0392","","","0.1021","0.1054","","","","","","1.081","","","","has coordinates","270251","2021-11-03","21:16:14",""
"4519112","10.601","0.003","7.695","0.002","20.43","0.006","90","","94.097","0.003","90","","1662.3","0.8","153","","153","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H15 Cl O4 -","- C20 H15 Cl O4 -","- C80 H60 Cl4 O16 -","4","1","","Yamazaki, Shoko; Katayama, Kohtaro; Wang, Zhichao; Mikata, Yuji; Morimoto, Tsumoru; Ogawa, Akiya","Sequential Knoevenagel Condensation/Cyclization for the Synthesis of Indene and Benzofulvene Derivatives.","ACS omega","2021","6","42","28441","28454","10.1021/acsomega.1c05283","","","0.71075","MoKα","","0.0384","0.0356","","","0.0928","0.0958","","","","","","1.049","","","","has coordinates","270252","2021-11-03","21:16:37",""
"4519113","15.2336","0.0008","16.3399","0.0007","13.8528","0.0007","90","","90","","90","","3448.2","0.3","293","2","293.15","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C10 H22 Mn N2 O2 S4 -","- C10 H22 Mn N2 O2 S4 -","- C80 H176 Mn8 N16 O16 S32 -","8","1","","Alanazi, Abdulaziz M.; McNaughter, Paul D.; Alam, Firoz; Vitorica-Yrezabal, Inigo J; Whitehead, George F. S.; Tuna, Floriana; O'Brien, Paul; Collison, David; Lewis, David J.","Structural Investigations of α-MnS Nanocrystals and Thin Films Synthesized from Manganese(II) Xanthates by Hot Injection, Solvent-Less Thermolysis, and Doctor Blade Routes.","ACS omega","2021","6","42","27716","27725","10.1021/acsomega.1c02907","","x-ray","1.54184","CuKα","","0.0958","0.0699","","","0.1928","0.2233","","","","","","1.052","","","","has coordinates","270253","2021-11-03","21:16:59",""
"4519114","15.6601","0.0003","8.15454","0.00013","23.5223","0.0005","90","","108.507","0.002","90","","2848.48","0.1","240","0.1","240","0.1","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C20 H42 Mn N2 O2 S4 -","- C20 H42 Mn N2 O2 S4 -","- C80 H168 Mn4 N8 O8 S16 -","4","0.5","","Alanazi, Abdulaziz M.; McNaughter, Paul D.; Alam, Firoz; Vitorica-Yrezabal, Inigo J; Whitehead, George F. S.; Tuna, Floriana; O'Brien, Paul; Collison, David; Lewis, David J.","Structural Investigations of α-MnS Nanocrystals and Thin Films Synthesized from Manganese(II) Xanthates by Hot Injection, Solvent-Less Thermolysis, and Doctor Blade Routes.","ACS omega","2021","6","42","27716","27725","10.1021/acsomega.1c02907","","x-ray","1.54184","CuKα","","0.0709","0.0679","","","0.1796","0.1825","","","","","","1.099","","","","has coordinates,has disorder","270254","2021-11-03","21:17:25",""
"4519115","12.5433","0.0003","21.2751","0.0005","9.3308","0.0002","90","","102.885","0.002","90","","2427.32","0.1","150","","150","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H34 Mn N2 O2 S4 -","- C16 H34 Mn N2 O2 S4 -","- C64 H136 Mn4 N8 O8 S16 -","4","1","","Alanazi, Abdulaziz M.; McNaughter, Paul D.; Alam, Firoz; Vitorica-Yrezabal, Inigo J; Whitehead, George F. S.; Tuna, Floriana; O'Brien, Paul; Collison, David; Lewis, David J.","Structural Investigations of α-MnS Nanocrystals and Thin Films Synthesized from Manganese(II) Xanthates by Hot Injection, Solvent-Less Thermolysis, and Doctor Blade Routes.","ACS omega","2021","6","42","27716","27725","10.1021/acsomega.1c02907","","x-ray","1.54184","CuKα","","0.048","0.0372","","","0.0947","0.1006","","","","","","1.055","","","","has coordinates,has disorder","270255","2021-11-03","21:17:47",""
"4519116","20.8959","0.0013","8.0893","0.0004","15.3732","0.0009","90","","132.491","0.007","90","","1916.2","0.3","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C12 H26 Mn N2 O2 S4 -","- C12 H26 Mn N2 O2 S4 -","- C48 H104 Mn4 N8 O8 S16 -","4","0.5","","Alanazi, Abdulaziz M.; McNaughter, Paul D.; Alam, Firoz; Vitorica-Yrezabal, Inigo J; Whitehead, George F. S.; Tuna, Floriana; O'Brien, Paul; Collison, David; Lewis, David J.","Structural Investigations of α-MnS Nanocrystals and Thin Films Synthesized from Manganese(II) Xanthates by Hot Injection, Solvent-Less Thermolysis, and Doctor Blade Routes.","ACS omega","2021","6","42","27716","27725","10.1021/acsomega.1c02907","","","1.54178","CuKα","","0.0301","0.0261","","","0.0612","0.0626","","","","","","1.053","","","","has coordinates","270256","2021-11-03","21:18:09",""
"4519117","7.5898","0.0004","11.8599","0.0005","16.0804","0.0007","70.704","0.004","78.932","0.004","72.591","0.004","1296.59","0.11","99.99","0.1","99.99","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C18 H38 Mn N2 O2 S4 -","- C18 H38 Mn N2 O2 S4 -","- C36 H76 Mn2 N4 O4 S8 -","2","1","","Alanazi, Abdulaziz M.; McNaughter, Paul D.; Alam, Firoz; Vitorica-Yrezabal, Inigo J; Whitehead, George F. S.; Tuna, Floriana; O'Brien, Paul; Collison, David; Lewis, David J.","Structural Investigations of α-MnS Nanocrystals and Thin Films Synthesized from Manganese(II) Xanthates by Hot Injection, Solvent-Less Thermolysis, and Doctor Blade Routes.","ACS omega","2021","6","42","27716","27725","10.1021/acsomega.1c02907","","x-ray","1.54184","CuKα","","0.0333","0.0308","","","0.0778","0.079","","","","","","1.057","","","","has coordinates","270257","2021-11-03","21:18:30",""
"4519118","11.8338","0.0005","11.9042","0.0004","15.5003","0.0006","90","","106.751","0.002","90","","2090.9","0.14","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H30 Mn N2 O2 S4 -","- C14 H30 Mn N2 O2 S4 -","- C56 H120 Mn4 N8 O8 S16 -","4","1","","Alanazi, Abdulaziz M.; McNaughter, Paul D.; Alam, Firoz; Vitorica-Yrezabal, Inigo J; Whitehead, George F. S.; Tuna, Floriana; O'Brien, Paul; Collison, David; Lewis, David J.","Structural Investigations of α-MnS Nanocrystals and Thin Films Synthesized from Manganese(II) Xanthates by Hot Injection, Solvent-Less Thermolysis, and Doctor Blade Routes.","ACS omega","2021","6","42","27716","27725","10.1021/acsomega.1c02907","","","1.54178","CuKα","","0.0356","0.0282","","","0.0634","0.066","","","","","","1.022","","","","has coordinates","270258","2021-11-03","21:18:52",""
"4519119","19.517","0.004","14.714","0.008","9.4101","0.0019","90","","103.29","0.02","90","","2630","1.6","293","0.2","293","0.2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H31 N5 O4 -","- C27 H31 N5 O4 -","- C108 H124 N20 O16 -","4","1","","Mondal, Surajit; Dey, Swapan","Strategy to Design a Flexible and Macromolecular Sensor to Bind Cd<sup>2+</sup> Ions: A Complete Photophysical Analysis and Bio-Imaging Study.","ACS omega","2021","6","42","27936","27945","10.1021/acsomega.1c03793","","x-ray","0.71073","MoKα","","0.1829","0.061","","","0.1034","0.1429","","","","","","0.944","","","","has coordinates","270259","2021-11-03","21:19:37",""
"4519120","6.6328","0.0005","10.074","0.0008","5.9283","0.0005","90","","122.388","0.002","90","","334.5","0.05","150","2","150","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- F6 H4 Ir Na2 O2 -","- F6 Ir Na2 O2 -","- F12 Ir2 Na4 O4 -","2","0.25","","Gubanov, Alexander I.; Smolentsev, Anton I.; Filatov, Evgeny; Kuratieva, Natalia V.; Danilenko, Andrey M.; Korenev, Sergey Vasilievich","Revisiting Sodium Hexafluoroiridates: Perspective Precursors for Electronic, Quantum, and Related Materials.","ACS omega","2021","6","42","27697","27701","10.1021/acsomega.1c02722","","x-ray","0.71073","MoKα","","0.0144","0.0144","","","0.0357","0.0357","","","","","","1.144","","","","has coordinates","270260","2021-11-03","21:20:11",""
"4519121","7.5963","0.0003","7.5963","0.0003","9.8056","0.0004","90","","90","","120","","490.01","0.03","293","2","293","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- F6 H4 Ir Na3 O2 -","- F6 Ir Na3 O2 -","- F18 Ir3 Na9 O6 -","3","0.166667","","Gubanov, Alexander I.; Smolentsev, Anton I.; Filatov, Evgeny; Kuratieva, Natalia V.; Danilenko, Andrey M.; Korenev, Sergey Vasilievich","Revisiting Sodium Hexafluoroiridates: Perspective Precursors for Electronic, Quantum, and Related Materials.","ACS omega","2021","6","42","27697","27701","10.1021/acsomega.1c02722","","x-ray","0.71073","MoKα","","0.0126","0.0126","","","0.0316","0.0316","","","","","","1.165","","","","has coordinates","270261","2021-11-03","21:20:39",""
"4519122","12.2464","0.0009","12.8292","0.001","15.963","0.0012","70.103","0.001","86.552","0.001","65.453","0.001","2135.4","0.3","125","2","125","2","","","","","","","","8","P -1","-P 1","2","","","","- C48 H42 Cl N O5 P2 Pt S -","- C48 H42 Cl N O5 P2 Pt S -","- C96 H84 Cl2 N2 O10 P4 Pt2 S2 -","2","1","","Coffey, Belle; Clough, Lily; Bartkus, Daphne D.; McClellan, Ian C.; Greenberg, Matthew W.; LaFratta, Christopher N.; Tanski, Joseph M.; Anderson, Craig M.","Photophysical Properties of Cyclometalated Platinum(II) Diphosphine Compounds in the Solid State and in PMMA Films.","ACS omega","2021","6","42","28316","28325","10.1021/acsomega.1c04509","","","0.71073","MoKα","","0.0337","0.0262","","","0.0547","0.0577","","","","","","1.049","","","","has coordinates,has disorder","270262","2021-11-03","21:21:04",""
"4519182","8.219","0.0011","10.4446","0.0011","35.069","0.004","90","","90","","90","","3010.5","0.6","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","methyl 2-(3-benzoylthioureido)benzoate","","- C16 H14 N2 O3 S -","- C16 H14 N2 O3 S -","- C128 H112 N16 O24 S8 -","8","2","","Ashfaq, Muhammad; Tahir, Muhammad Nawaz; Muhammad, Shabbir; Munawar, Khurram Shahzad; Ali, Akbar; Bogdanov, Georgii; Alarfaji, Saleh S.","Single-Crystal Investigation, Hirshfeld Surface Analysis, and DFT Study of Third-Order NLO Properties of Unsymmetrical Acyl Thiourea Derivatives.","ACS omega","2021","6","46","31211","31225","10.1021/acsomega.1c04884","","","0.71073","MoKα","","0.1138","0.0545","","","0.1101","0.1358","","","","","","0.991","","","","has coordinates,has disorder","271048","2021-12-03","21:37:05",""
"4519183","5.9027","0.0009","10.2604","0.0016","14.288","0.003","108.124","0.01","97.581","0.01","97.514","0.007","801.5","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","4-((3-benzoylthioureido)methyl)cyclohexanecarboxylic acid","","- C16 H20 N2 O3 S -","- C16 H20 N2 O3 S -","- C32 H40 N4 O6 S2 -","2","1","","Ashfaq, Muhammad; Tahir, Muhammad Nawaz; Muhammad, Shabbir; Munawar, Khurram Shahzad; Ali, Akbar; Bogdanov, Georgii; Alarfaji, Saleh S.","Single-Crystal Investigation, Hirshfeld Surface Analysis, and DFT Study of Third-Order NLO Properties of Unsymmetrical Acyl Thiourea Derivatives.","ACS omega","2021","6","46","31211","31225","10.1021/acsomega.1c04884","","","0.71073","MoKα","","0.1111","0.0573","","","0.1485","0.1765","","","","","","1.029","","","","has coordinates,has disorder","271049","2021-12-03","21:37:29",""
"4519184","9.4948","0.0013","10.1971","0.001","15.507","0.0019","85.995","0.005","84.791","0.012","89.282","0.01","1491.5","0.3","102","","102","","","","","","","","","7","P -1","-P 1","2","","","","- C26 H24 F10 N O4 P S2 -","- C26 H24 F10 N O4 P S2 -","- C52 H48 F20 N2 O8 P2 S4 -","2","1","","O’Rourke, Brianna; Lauderback, Clare; Teodoro, Lara I.; Grimm, Morgan; Zeller, Matthias; Mirjafari, Arsalan; Guillet, Gary L.; Hillesheim, Patrick C.","Developing Structural First Principles for Alkylated Triphenylphosphonium-Based Ionic Liquids","ACS Omega","2021","6","47","32285","32296","10.1021/acsomega.1c05241","","","0.71073","MoKα","","0.0782","0.0454","","","0.0906","0.0981","","","","","","1.01","","","","has coordinates,has disorder","271050","2021-12-03","21:37:53",""
"4519185","16.2282","0.0005","19.4802","0.0005","8.9123","0.0003","90","","90","","90","","2817.43","0.15","170","","170","","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C24 H24 F6 N O4 P S2 -","- C24 H24 F6 N O4 P S2 -","- C96 H96 F24 N4 O16 P4 S8 -","4","1","","O’Rourke, Brianna; Lauderback, Clare; Teodoro, Lara I.; Grimm, Morgan; Zeller, Matthias; Mirjafari, Arsalan; Guillet, Gary L.; Hillesheim, Patrick C.","Developing Structural First Principles for Alkylated Triphenylphosphonium-Based Ionic Liquids","ACS Omega","2021","6","47","32285","32296","10.1021/acsomega.1c05241","","","0.71073","MoKα","","0.0986","0.0544","","","0.1266","0.1537","","","","","","1.003","","","","has coordinates","271051","2021-12-03","21:38:16",""
"4519186","14.7187","0.0006","17.5538","0.0007","18.1439","0.0007","90","","93.788","0.002","90","","4677.6","0.3","100","","100","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C22 H24 F2 N O4 P S2 -","- C22 H24 F2 N O4 P S2 -","- C176 H192 F16 N8 O32 P8 S16 -","8","2","","O’Rourke, Brianna; Lauderback, Clare; Teodoro, Lara I.; Grimm, Morgan; Zeller, Matthias; Mirjafari, Arsalan; Guillet, Gary L.; Hillesheim, Patrick C.","Developing Structural First Principles for Alkylated Triphenylphosphonium-Based Ionic Liquids","ACS Omega","2021","6","47","32285","32296","10.1021/acsomega.1c05241","","","0.71073","MoKα","","0.0599","0.0425","","","0.0875","0.0947","","","","","","1.059","","","","has coordinates","271052","2021-12-03","21:38:43",""
"4519187","17.6631","0.0004","15.9667","0.0004","19.1524","0.0005","90","","90","","90","","5401.4","0.2","150","2","150","","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C25 H24 F6 N O4 P S2 -","- C25 H24 F6 N O4 P S2 -","- C200 H192 F48 N8 O32 P8 S16 -","8","2","","O’Rourke, Brianna; Lauderback, Clare; Teodoro, Lara I.; Grimm, Morgan; Zeller, Matthias; Mirjafari, Arsalan; Guillet, Gary L.; Hillesheim, Patrick C.","Developing Structural First Principles for Alkylated Triphenylphosphonium-Based Ionic Liquids","ACS Omega","2021","6","47","32285","32296","10.1021/acsomega.1c05241","","","1.54178","CuKα","","0.0428","0.0387","","","0.1033","0.1071","","","","","","1.042","","","","has coordinates,has disorder","271053","2021-12-03","21:39:07",""
"4519188","25.893","0.017","12.764","0.009","18.52","0.012","90","","132.228","0.017","90","","4532","5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H26 Fe2 N2 O10 -","- C16 H26 Fe2 N2 O10 -","- C128 H208 Fe16 N16 O80 -","8","1","","Severa, Godwin; Bruffey, Edward; Nguyen, Phuong Q. H.; Gigante, Angelina; Leick, Noemi; Kelly, Colleen; Finkelstein, Gregory J.; Hagemann, Hans; Gennett, Thomas; Rocheleau, Richard E.; Dera, Przemyslaw","Fe4(OAc)10[EMIM]2: Novel Iron-Based Acetate EMIM Ionic Compound","ACS Omega","2021","6","47","31907","31918","10.1021/acsomega.1c04670","","","0.56086","AgKα","","0.1355","0.076","","","0.1839","0.245","","","","","","1.075","","","","has coordinates","271054","2021-12-03","21:39:29",""
"4519189","9.0333","0.0013","10.5505","0.0015","12.4384","0.0018","70.784","0.005","88.387","0.006","81.848","0.006","1107.9","0.3","373","2","373","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H28 Fe2 N2 O11 -","- C16 H28 Fe2 N2 O11 -","- C32 H56 Fe4 N4 O22 -","2","1","","Severa, Godwin; Bruffey, Edward; Nguyen, Phuong Q. H.; Gigante, Angelina; Leick, Noemi; Kelly, Colleen; Finkelstein, Gregory J.; Hagemann, Hans; Gennett, Thomas; Rocheleau, Richard E.; Dera, Przemyslaw","Fe4(OAc)10[EMIM]2: Novel Iron-Based Acetate EMIM Ionic Compound","ACS Omega","2021","6","47","31907","31918","10.1021/acsomega.1c04670","","","0.56086","AgKα","","0.1799","0.1064","","","0.1941","0.2303","","","","","","1.083","","","","has coordinates","271055","2021-12-03","21:39:52",""
"4519252","10.344","0.0009","10.419","0.0011","10.58","0.0011","92.229","0.007","102.919","0.006","103.078","0.006","1077.74","0.19","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C20 H14 F6 N2 O6 -","- C20 H14 F6 N2 O6 -","- C40 H28 F12 N4 O12 -","2","1","","Mohan, Midhun; Essalhi, Mohamed; Zaye, Sarah; Rana, Love Karan; Maris, Thierry; Duong, Adam","Hydrogen Bond Patterns of Dipyridone and Bis(Hydroxypyridinium) Cations","ACS Omega","2021","6","51","35649","35656","10.1021/acsomega.1c05561","","x-ray","1.54178","CuKα","","0.0798","0.0661","","","0.2027","0.2128","","","","","","1.019","","","","has coordinates,has disorder","271747","2022-01-03","21:44:24",""
"4519253","13.2786","0.0015","3.7845","0.0005","14.135","0.0017","90","","104.613","0.007","90","","687.35","0.15","298.15","","298.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H15 N3 O4 -","- C15 H15 N3 O4 -","- C30 H30 N6 O8 -","2","0.5","","Mohan, Midhun; Essalhi, Mohamed; Zaye, Sarah; Rana, Love Karan; Maris, Thierry; Duong, Adam","Hydrogen Bond Patterns of Dipyridone and Bis(Hydroxypyridinium) Cations","ACS Omega","2021","6","51","35649","35656","10.1021/acsomega.1c05561","","","1.54178","CuKα","","0.0735","0.0654","","","0.1851","0.1995","","","","","","1.093","","","","has coordinates,has disorder","271748","2022-01-03","21:44:46",""
"4519254","8.5863","0.0003","11.2015","0.0004","20.1697","0.0007","90","","99.146","0.002","90","","1915.25","0.12","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H12 F6 N4 O6 -","- C18 H12 F6 N4 O6 -","- C72 H48 F24 N16 O24 -","4","1","","Mohan, Midhun; Essalhi, Mohamed; Zaye, Sarah; Rana, Love Karan; Maris, Thierry; Duong, Adam","Hydrogen Bond Patterns of Dipyridone and Bis(Hydroxypyridinium) Cations","ACS Omega","2021","6","51","35649","35656","10.1021/acsomega.1c05561","","x-ray","1.34139","GaKα","","0.0885","0.0664","","","0.1721","0.1901","","","","","","1.076","","","","has coordinates,has disorder","271749","2022-01-03","21:45:08",""
"4519255","23.34","0.02","9.228","0.006","16.238","0.011","90","","92.475","0.019","90","","3494","4","150","2","150","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C24 H22 O -","- C24 H22 O -","- C192 H176 O8 -","8","2","","Liu, Jiupeng; Tang, Shuo; Zhao, Mengyao; Huai, Jianing; Yu, Jingya; Zhao, Jingjing; Li, Pan","Reactivity of Vinyl Epoxides/Oxetanes/Cyclopropanes toward Arynes: Access to Functionalized Phenanthrenes","ACS Omega","2021","6","51","35852","35865","10.1021/acsomega.1c06166","","","0.71073","MoKα","","0.0935","0.0779","","","0.203","0.2132","","","","","","1.098","","","","has coordinates","301408","2025-07-30","05:56:31",""
"4519256","27.6855","0.0008","9.629","0.0003","9.1455","0.0003","90","","92.959","0.001","90","","2434.79","0.13","100.01","","100.01","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","CPC-Sn","","- C21 H38 Cl3 N Sn -","- C21 H38 Cl3 N Sn -","- C84 H152 Cl12 N4 Sn4 -","4","1","","Teoman, Baran; Muneeswaran, Zilma Pereira; Verma, Gaurav; Chen, Dailin; Brinzari, Tatiana V.; Almeda-Ahmadi, Allison; Norambuena, Javiera; Xu, Shaopeng; Ma, Shengqian; Boyd, Jeffrey M.; Armenante, Piero M.; Potanin, Andrei; Pan, Long; Asefa, Tewodros; Dubovoy, Viktor","Cetylpyridinium Trichlorostannate: Synthesis, Antimicrobial Properties, and Controlled-Release Properties via Electrical Resistance Tomography","ACS Omega","2021","6","51","35433","35441","10.1021/acsomega.1c04034","","x-ray","1.54178","CuKα","","0.0321","0.0287","","","0.0637","0.0658","","","","","","1.085","","","","has coordinates","302047","2025-09-07","14:15:44",""
"4519257","17.1405","0.0019","19.507","0.002","23.73","0.003","103.028","0.003","100.372","0.003","113.516","0.003","6756.7","1.4","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C20 H30 Ir2 Na3.5 O89 Sb2 W20 -","- C20 H30 Ir2 Na3.5 O89 Sb2 W20 -","- C40 H60 Ir4 Na7 O178 Sb4 W40 -","2","1","","Mougharbel, Ali S.; Ahmedi, Sihana; Bhattacharya, Saurav; Rajan, Ananthu; Kortz, Ulrich","Organorhodium(III)- and Iridium(III)-Substituted 20-Tungstobismuthates(III) and -Antimonates(III), [(MCp*)<sub>2</sub>X<sub>2</sub>W<sub>20</sub>O<sub>70</sub>]<sup>10-</sup> (M = Rh<sup>III</sup> and Ir<sup>III</sup>; X = Bi<sup>III</sup> and Sb<sup>III</sup>).","ACS omega","2021","6","50","34494","34500","10.1021/acsomega.1c04707","","","0.71073","MoKα","","0.1295","0.0752","","","0.2071","0.266","","","","","","1.066","","","","has coordinates","271752","2022-01-03","21:46:25",""
"4519258","17.1496","0.0017","19.521","0.002","23.72","0.003","103.05","0.003","99.932","0.003","113.932","0.003","6752.6","1.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C20 H30 Bi2 Ir2 Na5 O87 W20 -","- C20 H30 Bi2 Ir2 Na5 O87 W20 -","- C40 H60 Bi4 Ir4 Na10 O174 W40 -","2","1","","Mougharbel, Ali S.; Ahmedi, Sihana; Bhattacharya, Saurav; Rajan, Ananthu; Kortz, Ulrich","Organorhodium(III)- and Iridium(III)-Substituted 20-Tungstobismuthates(III) and -Antimonates(III), [(MCp*)<sub>2</sub>X<sub>2</sub>W<sub>20</sub>O<sub>70</sub>]<sup>10-</sup> (M = Rh<sup>III</sup> and Ir<sup>III</sup>; X = Bi<sup>III</sup> and Sb<sup>III</sup>).","ACS omega","2021","6","50","34494","34500","10.1021/acsomega.1c04707","","","0.71073","MoKα","","0.1089","0.0615","","","0.1559","0.1879","","","","","","1.034","","","","has coordinates","271753","2022-01-03","21:46:57",""
"4519259","13.6825","0.0007","13.7623","0.0007","18.3248","0.001","72.603","0.002","83.896","0.002","89.231","0.002","3273.5","0.3","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C20 H30 K2 Na3 O96 Rh2 Sb2 W20 -","- C20 H30 K2 Na3 O96 Rh2 Sb2 W20 -","- C20 H30 K2 Na3 O96 Rh2 Sb2 W20 -","1","0.5","","Mougharbel, Ali S.; Ahmedi, Sihana; Bhattacharya, Saurav; Rajan, Ananthu; Kortz, Ulrich","Organorhodium(III)- and Iridium(III)-Substituted 20-Tungstobismuthates(III) and -Antimonates(III), [(MCp*)<sub>2</sub>X<sub>2</sub>W<sub>20</sub>O<sub>70</sub>]<sup>10-</sup> (M = Rh<sup>III</sup> and Ir<sup>III</sup>; X = Bi<sup>III</sup> and Sb<sup>III</sup>).","ACS omega","2021","6","50","34494","34500","10.1021/acsomega.1c04707","","","0.71073","MoKα","","0.0498","0.0377","","","0.1042","0.11","","","","","","1.048","","","","has coordinates","271754","2022-01-03","21:47:17",""
"4519260","13.6643","0.0011","13.761","0.0011","18.2754","0.0014","72.177","0.002","84.281","0.002","88.693","0.002","3255.1","0.4","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C20 H30 Bi2 K Na4 O94 Rh2 W20 -","- C20 H30 Bi2 K Na4 O94 Rh2 W20 -","- C20 H30 Bi2 K Na4 O94 Rh2 W20 -","1","0.5","","Mougharbel, Ali S.; Ahmedi, Sihana; Bhattacharya, Saurav; Rajan, Ananthu; Kortz, Ulrich","Organorhodium(III)- and Iridium(III)-Substituted 20-Tungstobismuthates(III) and -Antimonates(III), [(MCp*)<sub>2</sub>X<sub>2</sub>W<sub>20</sub>O<sub>70</sub>]<sup>10-</sup> (M = Rh<sup>III</sup> and Ir<sup>III</sup>; X = Bi<sup>III</sup> and Sb<sup>III</sup>).","ACS omega","2021","6","50","34494","34500","10.1021/acsomega.1c04707","","","0.71073","MoKα","","0.0533","0.0375","","","0.0986","0.1061","","","","","","1.026","","","","has coordinates","271755","2022-01-03","21:47:33",""
"4519308","16.9883","0.0004","11.5454","0.0003","25.4733","0.0006","90","","104.9","0.001","90","","4828.3","0.2","299","2","299","2","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","CQN2","","- C34 H21 N3 -","- C34 H21 N3 -","- C272 H168 N24 -","8","1","","Acharya, Nirmalya; Dey, Suvendu; Deka, Raktim; Ray, Debdas","Molecular-Level Understanding of Dual-RTP via Host-Sensitized Multiple Triplet-to-Triplet Energy Transfers and Data Security Application","ACS Omega","2022","7","4","3722","3730","10.1021/acsomega.1c06390","","","0.71073","MoKα","","0.0756","0.0467","","","0.1236","0.1384","","","","","","1.139","","","","has coordinates","301408","2025-07-30","05:56:31",""
"4519309","5.4935","0.0005","23.625","0.002","18.7705","0.0019","90","","91.838","0.003","90","","2434.9","0.4","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","CQN1","","- C34 H21 N3 -","- C34 H21 N3 -","- C136 H84 N12 -","4","1","","Acharya, Nirmalya; Dey, Suvendu; Deka, Raktim; Ray, Debdas","Molecular-Level Understanding of Dual-RTP via Host-Sensitized Multiple Triplet-to-Triplet Energy Transfers and Data Security Application","ACS Omega","2022","7","4","3722","3730","10.1021/acsomega.1c06390","","","0.71073","MoKα","","0.1122","0.0773","","","0.1981","0.2221","","","","","","1.095","","","","has coordinates","272480","2022-02-03","21:25:01",""
"4519310","22.7897","0.0016","11.5629","0.0011","18.4891","0.0013","90","","90","","90","","4872.2","0.7","297","2","297","2","","","","","","","","3","P c c n","-P 2ab 2ac","56","","CQM","","- C34 H24 N2 -","- C34 H24 N2 -","- C272 H192 N16 -","8","1","","Acharya, Nirmalya; Dey, Suvendu; Deka, Raktim; Ray, Debdas","Molecular-Level Understanding of Dual-RTP via Host-Sensitized Multiple Triplet-to-Triplet Energy Transfers and Data Security Application","ACS Omega","2022","7","4","3722","3730","10.1021/acsomega.1c06390","","","0.71073","MoKα","","0.073","0.0398","","","0.0927","0.1137","","","","","","1.021","","","","has coordinates","272481","2022-02-03","21:25:24",""
"4519311","8.6805","0.0002","9.276","0.0002","10.4682","0.0002","75.499","0.001","83.008","0.001","67.834","0.001","755.39","0.03","296","1","296","1","","","","","","","","5","P -1","-P 1","2","","","","- C15 H15 N3 O3 S -","- C15 H15 N3 O3 S -","- C30 H30 N6 O6 S2 -","2","1","","Oh, In Seok; Seo, Ye Ji; Hyun, Ji Young; Lim, Hwan Jung; Lee, Duck-Hyung; Park, Seong Jun","Acid-Catalyzed Hydrolysis and Intramolecular Cyclization of <i>N</i>-Cyano Sulfoximines for the Synthesis of Thiadiazine 1-Oxides.","ACS omega","2022","7","2","2160","2169","10.1021/acsomega.1c05570","","","0.71073","MoKα","","0.0675","0.0501","","","0.1288","0.1378","","","","","","1.073","","","","has coordinates","272482","2022-02-03","21:25:44",""
"4519312","9.9488","0.0006","12.8366","0.0007","18.5222","0.0011","90","","90","","90","","2365.4","0.2","100","1","100","1","","","","","","","","5","P n a 21","P 2c -2n","33","S-216","","","- C13 H11 N3 O S -","- C13 H11 N3 O S -","- C104 H88 N24 O8 S8 -","8","2","","Oh, In Seok; Seo, Ye Ji; Hyun, Ji Young; Lim, Hwan Jung; Lee, Duck-Hyung; Park, Seong Jun","Acid-Catalyzed Hydrolysis and Intramolecular Cyclization of <i>N</i>-Cyano Sulfoximines for the Synthesis of Thiadiazine 1-Oxides.","ACS omega","2022","7","2","2160","2169","10.1021/acsomega.1c05570","","","0.71073","MoKα","","0.053","0.0427","","","0.0929","0.0962","","","","","","0.992","","","","has coordinates","272483","2022-02-03","21:26:05",""
"4519313","12.1286","0.0012","11.7919","0.0011","21.603","0.002","90","","92.461","0.003","90","","3086.8","0.5","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Eu2(C7H6NO2)2(Cl)2(C12H8N2)4(ClO4)2","'Eu2(C7H6NO2)2(Cl)2(C12H8N2)4(ClO4)2'","","- C62 H44 Cl4 Eu2 N10 O12 -","- C62 H44 Cl4 Eu2 N10 O12 -","- C124 H88 Cl8 Eu4 N20 O24 -","2","0.5","","Lu, Ying-Bing; Wu, Jun-Wei; Zhu, Shui-Dong; Wang, Sheng-Qian; Zhang, Shi-Yong; Liu, Cai-Ming; Li, Rong; Li, Juan; Ai, Jia-Hao; Xie, Yong-Rong","3-Pyridylacetic-Based Lanthanide Complexes Exhibiting Magnetic Entropy Changes, Single-Molecule Magnet, and Fluorescence.","ACS omega","2022","7","3","2604","2612","10.1021/acsomega.1c04728","","","0.71073","MoKα","","0.0376","0.0352","","","0.1235","0.1308","","","","","","1.013","","","","has coordinates","272484","2022-02-03","21:26:26",""
"4519314","12.0593","0.0001","11.7251","0.0001","21.6822","0.0002","90","","92.72","0.001","90","","3062.33","0.05","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Dy2(C7H6NO2)2(Cl)2(C12H8N2)4(ClO4)2","'Dy2(C7H6NO2)2(Cl)2(C12H8N2)4(ClO4)2'","","- C62 H44 Cl4 Dy2 N10 O12 -","- C62 H44 Cl4 Dy2 N10 O12 -","- C124 H88 Cl8 Dy4 N20 O24 -","2","0.5","","Lu, Ying-Bing; Wu, Jun-Wei; Zhu, Shui-Dong; Wang, Sheng-Qian; Zhang, Shi-Yong; Liu, Cai-Ming; Li, Rong; Li, Juan; Ai, Jia-Hao; Xie, Yong-Rong","3-Pyridylacetic-Based Lanthanide Complexes Exhibiting Magnetic Entropy Changes, Single-Molecule Magnet, and Fluorescence.","ACS omega","2022","7","3","2604","2612","10.1021/acsomega.1c04728","","","0.71073","MoKα","","0.0508","0.0424","","","0.1403","0.1558","","","","","","1.002","","","","has coordinates","272485","2022-02-03","21:26:49",""
"4519315","12.0765","0.0001","11.7333","0.0001","21.6298","0.0002","90","","92.55","","90","","3061.85","0.05","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Tb2(C7H6NO2)2(Cl)2(C12H8N2)4(ClO4)2","'Tb2(C7H6NO2)2(Cl)2(C12H8N2)4(ClO4)2'","","- C62 H44 Cl4 N10 O12 Tb2 -","- C62 H44 Cl4 N10 O12 Tb2 -","- C124 H88 Cl8 N20 O24 Tb4 -","2","0.5","","Lu, Ying-Bing; Wu, Jun-Wei; Zhu, Shui-Dong; Wang, Sheng-Qian; Zhang, Shi-Yong; Liu, Cai-Ming; Li, Rong; Li, Juan; Ai, Jia-Hao; Xie, Yong-Rong","3-Pyridylacetic-Based Lanthanide Complexes Exhibiting Magnetic Entropy Changes, Single-Molecule Magnet, and Fluorescence.","ACS omega","2022","7","3","2604","2612","10.1021/acsomega.1c04728","","","0.71073","MoKα","","0.0459","0.0407","","","0.1375","0.1475","","","","","","0.977","","","","has coordinates","272486","2022-02-03","21:27:21",""
"4519316","12.0936","0.0001","11.7499","0.0002","21.6432","0.0003","90","","92.625","0.001","90","","3072.24","0.07","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Gd2(C7H6NO2)2(Cl)2(C12H8N2)4(ClO4)2","'Gd2(C7H6NO2)2(Cl)2(C12H8N2)4(ClO4)2'","","- C62 H44 Cl4 Gd2 N10 O12 -","- C62 H44 Cl4 Gd2 N10 O12 -","- C124 H88 Cl8 Gd4 N20 O24 -","2","0.5","","Lu, Ying-Bing; Wu, Jun-Wei; Zhu, Shui-Dong; Wang, Sheng-Qian; Zhang, Shi-Yong; Liu, Cai-Ming; Li, Rong; Li, Juan; Ai, Jia-Hao; Xie, Yong-Rong","3-Pyridylacetic-Based Lanthanide Complexes Exhibiting Magnetic Entropy Changes, Single-Molecule Magnet, and Fluorescence.","ACS omega","2022","7","3","2604","2612","10.1021/acsomega.1c04728","","","0.71073","MoKα","","0.0611","0.054","","","0.2129","0.2463","","","","","","1.005","","","","has coordinates","272487","2022-02-03","21:27:41",""
"4519317","29.689","0.005","14.194","0.002","20.253","0.003","90","","108.716","0.002","90","","8083","2","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C66 H137 Br La N11 O16 -","- C66 H137 Br La N11 O16 -","- C264 H548 Br4 La4 N44 O64 -","4","1","","Zakharova, Lucia Ya; Voloshina, Alexandra D.; Ibatullina, Marina R.; Zhiltsova, Elena P.; Lukashenko, Svetlana S.; Kuznetsova, Darya A.; Kutyreva, Marianna P.; Sapunova, Anastasiia S.; Kufelkina, Anna A.; Kulik, Natalia V.; Kataeva, Olga; Ivshin, Kamil A.; Gubaidullin, Aidar T.; Salnikov, Vadim V.; Nizameev, Irek R.; Kadirov, Marsil K.; Sinyashin, Oleg G.","Self-Assembling Metallocomplexes of the Amphiphilic 1,4-Diazabicyclo[2.2.2]octane Derivative as a Platform for the Development of Nonplatinum Anticancer Drugs.","ACS omega","2022","7","3","3073","3082","10.1021/acsomega.1c06465","","","0.71073","MoKα","","0.0819","0.0471","","","0.1201","0.1381","","","","","","1.021","","","","has coordinates,has disorder","272488","2022-02-03","21:28:10",""
"4519318","5.8282","0.0016","6.931","0.0019","56.791","0.015","90","","92.934","0.003","90","","2291.1","1.1","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","1-Cetyl-4-aza-1-azoniabicyclo[2.2.2]octane bromide monohydrate","","- C22 H46 Br N2 O0.5 -","- C22 H46 Br N2 O0.5 -","- C88 H184 Br4 N8 O2 -","4","2","","Zakharova, Lucia Ya; Voloshina, Alexandra D.; Ibatullina, Marina R.; Zhiltsova, Elena P.; Lukashenko, Svetlana S.; Kuznetsova, Darya A.; Kutyreva, Marianna P.; Sapunova, Anastasiia S.; Kufelkina, Anna A.; Kulik, Natalia V.; Kataeva, Olga; Ivshin, Kamil A.; Gubaidullin, Aidar T.; Salnikov, Vadim V.; Nizameev, Irek R.; Kadirov, Marsil K.; Sinyashin, Oleg G.","Self-Assembling Metallocomplexes of the Amphiphilic 1,4-Diazabicyclo[2.2.2]octane Derivative as a Platform for the Development of Nonplatinum Anticancer Drugs.","ACS omega","2022","7","3","3073","3082","10.1021/acsomega.1c06465","","","0.71073","MoKα","","0.0835","0.0549","","","0.0891","0.0984","","","","","","0.943","","","","has coordinates","301408","2025-07-30","05:56:31",""
"4519345","18.071","0.003","7.8493","0.0016","21.159","0.003","90","","101.232","0.015","90","","2943.8","0.9","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24.94 H34.88 B3 Cl1.88 N2 O8 -","- C24.939 H34.878 B3 Cl1.8774 N2 O8 -","- C99.756 H139.512 B12 Cl7.5096 N8 O32 -","4","1","","Stepanova, Valeria A.; Guerrero, Andres; Schull, Cullen; Christensen, Joshua; Trudeau, Claire; Cook, Joshua; Wolmutt, Kyle; Blochwitz, Jordan; Ismail, Abdelrahman; West, Joseph K.; Wheaton, Amelia M.; Guzei, Ilia A.; Yao, Bin; Kubatova, Alena","Hybrid Synthetic and Computational Study of an Optimized, Solvent-Free Approach to Curcuminoids","ACS Omega","2022","7","8","7257","7277","10.1021/acsomega.1c07006","","x-ray","1.54178","CuKα","K-L~3~","0.0534","0.036","","","0.0831","0.0907","","","","","","1.03","","","","has coordinates,has disorder","273252","2022-03-03","21:08:43",""
"4519346","11.62","0.004","10.769","0.003","13.577","0.005","90","","98.985","0.011","90","","1678.1","1","100.01","","100.01","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C21 H20 O4 -","- C21 H20 O4 -","- C84 H80 O16 -","4","0.5","","Stepanova, Valeria A.; Guerrero, Andres; Schull, Cullen; Christensen, Joshua; Trudeau, Claire; Cook, Joshua; Wolmutt, Kyle; Blochwitz, Jordan; Ismail, Abdelrahman; West, Joseph K.; Wheaton, Amelia M.; Guzei, Ilia A.; Yao, Bin; Kubatova, Alena","Hybrid Synthetic and Computational Study of an Optimized, Solvent-Free Approach to Curcuminoids","ACS Omega","2022","7","8","7257","7277","10.1021/acsomega.1c07006","","x-ray","0.71073","MoKα","K-L~3~","0.0529","0.0426","","","0.1227","0.132","","","","","","1.054","","","","has coordinates,has disorder","273253","2022-03-03","21:09:10",""
"4519347","10.6564","0.0009","7.937","0.0007","22.4894","0.0014","90","","97.249","0.004","90","","1886.9","0.3","100","","100","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C24 H24 O4 -","- C24 H24 O4 -","- C96 H96 O16 -","4","1","","Stepanova, Valeria A.; Guerrero, Andres; Schull, Cullen; Christensen, Joshua; Trudeau, Claire; Cook, Joshua; Wolmutt, Kyle; Blochwitz, Jordan; Ismail, Abdelrahman; West, Joseph K.; Wheaton, Amelia M.; Guzei, Ilia A.; Yao, Bin; Kubatova, Alena","Hybrid Synthetic and Computational Study of an Optimized, Solvent-Free Approach to Curcuminoids","ACS Omega","2022","7","8","7257","7277","10.1021/acsomega.1c07006","","","1.54178","CuKα","","0.035","0.0334","","","0.0865","0.0879","","","","","","1.037","","","","has coordinates","273254","2022-03-03","21:09:34",""
"4519348","5.08","0.0011","27.367","0.008","5.5795","0.0014","90","","90","","90","","775.7","0.3","100.01","","100.01","","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C19 H14 Cl2 O2 -","- C19 H14 Cl2 O2 -","- C38 H28 Cl4 O4 -","2","0.5","","Stepanova, Valeria A.; Guerrero, Andres; Schull, Cullen; Christensen, Joshua; Trudeau, Claire; Cook, Joshua; Wolmutt, Kyle; Blochwitz, Jordan; Ismail, Abdelrahman; West, Joseph K.; Wheaton, Amelia M.; Guzei, Ilia A.; Yao, Bin; Kubatova, Alena","Hybrid Synthetic and Computational Study of an Optimized, Solvent-Free Approach to Curcuminoids","ACS Omega","2022","7","8","7257","7277","10.1021/acsomega.1c07006","","x-ray","0.71073","MoKα","K-L~3~","0.023","0.0226","","","0.0607","0.061","","","","","","1.139","","","","has coordinates","273255","2022-03-03","21:09:56",""
"4519349","5.1098","0.0002","5.1098","0.0002","7.1704","0.0003","90","","90","","120","","162.137","0.011","398","","398","","","","","","","","Layered Double Hydroxide","4","P -3 1 m","-P 3 2","162","Lithium Aluminium Chloride Layered Double Hydroxide","","","- Al2 Cl Li O6 -","- Al2.00012 Cl Li O6.00024 -","- Al2.00012 Cl Li O6.00024 -","1","0.0833333","","Venkataraman, Kavitha; Thomas, Grace S.","Dehydration-Rehydration Studies on Polytypes of Chloride and Nitrate Layered Double Hydroxides of Nordstrandite and Bayerite: a Comparative Study.","ACS omega","2022","7","6","5393","5400","10.1021/acsomega.1c06630","powder diffraction","x-ray","1.5418","CuKα","","","","","","","","","7.3596","1.6","","","","","","","has coordinates","273256","2022-03-03","21:10:18",""
"4519350","5.0877","0.0016","8.814","0.003","9.0504","0.001","90","","100.51","0.03","90","","399.04","0.19","453","","453","","","","","","","","Layered Double Hydroxide","4","C 1 2/m 1","-C 2y","12","Lithium Aluminium Nitrate Layered Double Hydroxide","","","- Al2 Li N O9 -","- Al2 Li N O9 -","- Al4 Li2 N2 O18 -","2","0.25","","Venkataraman, Kavitha; Thomas, Grace S.","Dehydration-Rehydration Studies on Polytypes of Chloride and Nitrate Layered Double Hydroxides of Nordstrandite and Bayerite: a Comparative Study.","ACS omega","2022","7","6","5393","5400","10.1021/acsomega.1c06630","powder diffraction","x-ray","1.5418","CuKα","","","","","","","","","8.9546","1.8","","","","","","","has coordinates","273257","2022-03-03","21:10:40",""
"4519351","12.6185","0.0008","12.3442","0.0007","17.9746","0.001","90","","103.4","0.001","90","","2723.6","0.3","90","2","90","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C32 H18 Br4 N4 -","- C32 H18 Br4 N4 -","- C128 H72 Br16 N16 -","4","1","","Boice, Geneviève N; Patrick, Brian O.; Hicks, Robin G.","Diindolylamine Preparation and Stability Investigations.","ACS omega","2022","7","6","5197","5205","10.1021/acsomega.1c06289","","","0.71073","MoKα","","0.0759","0.0416","","","0.0795","0.0895","","","","","","1.013","","","","has coordinates","273258","2022-03-03","21:11:02",""
"4519352","10.631","0.002","13.873","0.003","8.6997","0.0015","90","","90","","90","","1283.1","0.4","296","2","296","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","(E)-4-(((2,4-dimethylphenyl)imino)methyl)phenol","","- C15 H15 N O -","- C15 H15 N O -","- C60 H60 N4 O4 -","4","1","","Ashfaq, Muhammad; Tahir, Muhammad Nawaz; Muhammad, Shabbir; Munawar, Khurram Shahzad; Ali, Saqib; Ahmed, Gulzar; Al-Sehemi, Abdullah G; Alarfaji, Saleh S.; Ibraheem Khan, Muhammad Ehtisham","Shedding Light on the Synthesis, Crystal Structure, Characterization, and Computational Study of Optoelectronic Properties and Bioactivity of Imine derivatives.","ACS omega","2022","7","6","5217","5230","10.1021/acsomega.1c06325","","","0.71073","MoKα","","0.1173","0.0538","","","0.1133","0.1359","","","","","","1.004","","","","has coordinates","273259","2022-03-03","21:11:41",""
"4519353","6.5137","0.0014","15.684","0.003","17.611","0.004","90","","90","","90","","1799.2","0.7","293","2","293","2","","","","","","","synthesis as described","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H23 F N2 O5 -","- C15 H23 F N2 O5 -","- C60 H92 F4 N8 O20 -","4","1","","Pons, Amandine; Decaens, Jonathan; Najjar, Riham; Otog, Nansalmaa; Arribat, Mathieu; Jolly, Sandrine; Couve-Bonnaire, Samuel; Sebban, Muriel; Coadou, Gael; Oulyadi, Hassan; Speybrouck, David; Iwasa, Seiji; Charette, André B; Poisson, Thomas; Jubault, Philippe","Fluorocyclopropane-Containing Proline Analogue: Synthesis and Conformation of an Item in the Peptide Chemist's Toolbox.","ACS omega","2022","7","6","4868","4878","10.1021/acsomega.1c05337","","x-ray","0.71073","MoKα","","0.1659","0.0553","","","0.1275","0.1603","","","","","","0.869","","","","has coordinates","273260","2022-03-03","21:12:06",""
"4519354","5.6104","0.0007","5.738","0.001","17.8464","0.0017","91.354","0.01","92.008","0.009","92.293","0.012","573.53","0.13","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","","","- C10 H6 N6 O3 -","- C10 H6 N6 O3 -","- C20 H12 N12 O6 -","2","1","","Shafran, Yuri M.; Hussein, Aqeel A.; Beliaev, Nikolai A.; Shevyrin, Vadim A.; Shityakov, Sergey; Beryozkina, Tetyana V.; Bakulev, Vasiliy A.","Selective Synthesis of Azoloyl <i>NH</i>-1,2,3-Triazoles and Azolyl Diazoketones: Experimental and Computational Insights.","ACS omega","2022","7","6","5008","5031","10.1021/acsomega.1c05898","","x-ray","0.71073","MoKα","","0.1446","0.055","","","0.1109","0.158","","","","","","1.005","","","","has coordinates","273261","2022-03-03","21:12:29",""
"4519355","16.633","0.004","6.8163","0.0008","25.874","0.004","90","","90.625","0.017","90","","2933.3","0.9","295","2","295","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C11 H18 N6 O2 -","- C11 H18 N6 O2 -","- C88 H144 N48 O16 -","8","1","","Shafran, Yuri M.; Hussein, Aqeel A.; Beliaev, Nikolai A.; Shevyrin, Vadim A.; Shityakov, Sergey; Beryozkina, Tetyana V.; Bakulev, Vasiliy A.","Selective Synthesis of Azoloyl <i>NH</i>-1,2,3-Triazoles and Azolyl Diazoketones: Experimental and Computational Insights.","ACS omega","2022","7","6","5008","5031","10.1021/acsomega.1c05898","","x-ray","0.71073","MoKα","","0.1699","0.07","","","0.1607","0.2229","","","","","","1.002","","","","has coordinates","273262","2022-03-03","21:13:05",""
"4519356","8.7961","0.0001","16.2533","0.0003","14.8259","0.0002","90","","93.4435","0.0005","90","","2115.77","0.05","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H21 N O4 -","- C26 H21 N O4 -","- C104 H84 N4 O16 -","4","1","","Murugan, Sivan Perumal; Zhong, Hong-Jie; Wu, Chih-Yu; Pan, Hao-Wei; Chen, Chinpiao; Lee, Gene-Hsian","Camphorsulfonic Acid-Mediated One-Pot Tandem Consecutive via the Ugi Four-Component Reaction for the Synthesis of Functionalized Indole and 2-Quinolone Derivatives by Switching Solvents.","ACS omega","2022","7","7","5713","5729","10.1021/acsomega.1c05460","","","1.54178","CuKα","","0.0472","0.0422","","","0.113","0.1198","","","","","","1.025","","","","has coordinates","273263","2022-03-03","21:13:27",""
"4519357","10.0432","0.0003","9.4172","0.0003","22.1188","0.0006","90","","98.0439","0.0009","90","","2071.39","0.11","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C29 H19 N O -","- C29 H19 N O -","- C116 H76 N4 O4 -","4","1","","Murugan, Sivan Perumal; Zhong, Hong-Jie; Wu, Chih-Yu; Pan, Hao-Wei; Chen, Chinpiao; Lee, Gene-Hsian","Camphorsulfonic Acid-Mediated One-Pot Tandem Consecutive via the Ugi Four-Component Reaction for the Synthesis of Functionalized Indole and 2-Quinolone Derivatives by Switching Solvents.","ACS omega","2022","7","7","5713","5729","10.1021/acsomega.1c05460","","","1.54178","CuKα","","0.0438","0.0391","","","0.1002","0.1067","","","","","","1.039","","","","has coordinates","273264","2022-03-03","21:13:51",""
"4519358","6.264","0.0002","17.8352","0.0005","15.8767","0.0004","90","","97.605","0.0011","90","","1758.14","0.09","200","2","200","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H17 N O -","- C24 H17 N O -","- C96 H68 N4 O4 -","4","1","","Murugan, Sivan Perumal; Zhong, Hong-Jie; Wu, Chih-Yu; Pan, Hao-Wei; Chen, Chinpiao; Lee, Gene-Hsian","Camphorsulfonic Acid-Mediated One-Pot Tandem Consecutive via the Ugi Four-Component Reaction for the Synthesis of Functionalized Indole and 2-Quinolone Derivatives by Switching Solvents.","ACS omega","2022","7","7","5713","5729","10.1021/acsomega.1c05460","","","0.71073","MoKα","","0.0594","0.0493","","","0.127","0.1359","","","","","","1.022","","","","has coordinates","273265","2022-03-03","21:14:14",""
"4519359","14.8518","0.0004","15.7023","0.0005","25.8545","0.0007","90","","90","","90","","6029.5","0.3","200","2","200","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C32.25 H30.5 Cl0.5 N2 O3 -","- C32.25 H30.5 Cl0.5 N2 O3 -","- C258 H244 Cl4 N16 O24 -","8","1","","Murugan, Sivan Perumal; Zhong, Hong-Jie; Wu, Chih-Yu; Pan, Hao-Wei; Chen, Chinpiao; Lee, Gene-Hsian","Camphorsulfonic Acid-Mediated One-Pot Tandem Consecutive via the Ugi Four-Component Reaction for the Synthesis of Functionalized Indole and 2-Quinolone Derivatives by Switching Solvents.","ACS omega","2022","7","7","5713","5729","10.1021/acsomega.1c05460","","","0.71073","MoKα","","0.0823","0.0664","","","0.186","0.1995","","","","","","1.044","","","","has coordinates","273266","2022-03-03","21:14:48",""
"4519360","7.1468","0.0002","17.7533","0.0006","8.5534","0.0002","90","","103.318","0.001","90","","1056.06","0.05","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H10 Co N2 O5 -","- C8 H10 Co N2 O5 -","- C32 H40 Co4 N8 O20 -","4","1","","D'souza, Luann R.; Harmalkar, Nikita N.; Harmalkar, Sarvesh S.; Tayade, Sakharam B.; Dhuri, Sunder N.","Construction of Pyrazine-Appended 1D and 3D Cobalt(II) Succinate Coordination Polymers: Influence of Solvent on Architectures and Applications in Gas Adsorption and NAC Detection.","ACS omega","2022","7","7","5698","5712","10.1021/acsomega.1c05216","","","0.71073","MoKα","","0.0389","0.0281","","","0.0629","0.0693","","","","","","1.063","","","","has coordinates","273267","2022-03-03","21:15:10",""
"4519361","12.1608","0.0005","7.5544","0.0003","8.6393","0.0004","90","","90.528","0.001","90","","793.64","0.06","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C6 H6 Co N2 O4 -","- C6 H6 Co N2 O4 -","- C24 H24 Co4 N8 O16 -","4","0.5","","D'souza, Luann R.; Harmalkar, Nikita N.; Harmalkar, Sarvesh S.; Tayade, Sakharam B.; Dhuri, Sunder N.","Construction of Pyrazine-Appended 1D and 3D Cobalt(II) Succinate Coordination Polymers: Influence of Solvent on Architectures and Applications in Gas Adsorption and NAC Detection.","ACS omega","2022","7","7","5698","5712","10.1021/acsomega.1c05216","","","0.71073","MoKα","","0.0306","0.0298","","","0.0817","0.0822","","","","","","1.224","","","","has coordinates","273268","2022-03-03","21:15:35",""
"4519362","10.316","0.004","7.114","0.003","9.458","0.004","90","","90","","90","","694.1","0.5","296","2","296","2","","","","","","","","5","P n n m","-P 2 2n","58","","","","- C8 H16 Co N2 O8 -","- C8 H16 Co N2 O8 -","- C16 H32 Co2 N4 O16 -","2","0.25","","D'souza, Luann R.; Harmalkar, Nikita N.; Harmalkar, Sarvesh S.; Tayade, Sakharam B.; Dhuri, Sunder N.","Construction of Pyrazine-Appended 1D and 3D Cobalt(II) Succinate Coordination Polymers: Influence of Solvent on Architectures and Applications in Gas Adsorption and NAC Detection.","ACS omega","2022","7","7","5698","5712","10.1021/acsomega.1c05216","","","0.71076","MoKα","","0.0422","0.0357","","","0.0793","0.083","","","","","","1.196","","","","has coordinates","273269","2022-03-03","21:15:57",""
"4519363","7.4075","0.0003","14.8143","0.0006","7.7787","0.0003","90","","99.741","0.001","90","","841.3","0.06","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C4 H12 Co O8 -","- C4 H12 Co O8 -","- C16 H48 Co4 O32 -","4","1","","D'souza, Luann R.; Harmalkar, Nikita N.; Harmalkar, Sarvesh S.; Tayade, Sakharam B.; Dhuri, Sunder N.","Construction of Pyrazine-Appended 1D and 3D Cobalt(II) Succinate Coordination Polymers: Influence of Solvent on Architectures and Applications in Gas Adsorption and NAC Detection.","ACS omega","2022","7","7","5698","5712","10.1021/acsomega.1c05216","","","0.71073","MoKα","","0.0283","0.0225","","","0.0557","0.0596","","","","","","1.06","","","","has coordinates","273270","2022-03-03","21:16:19",""
"4519364","12.7414","0.0005","6.7729","0.0002","13.4227","0.0004","90","","107.659","0.001","90","","1103.75","0.06","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C8 H12 Co N2 O6 -","- C8 H12 Co N2 O6 -","- C32 H48 Co4 N8 O24 -","4","0.5","","D'souza, Luann R.; Harmalkar, Nikita N.; Harmalkar, Sarvesh S.; Tayade, Sakharam B.; Dhuri, Sunder N.","Construction of Pyrazine-Appended 1D and 3D Cobalt(II) Succinate Coordination Polymers: Influence of Solvent on Architectures and Applications in Gas Adsorption and NAC Detection.","ACS omega","2022","7","7","5698","5712","10.1021/acsomega.1c05216","","","0.71073","MoKα","","0.0472","0.0294","","","0.0676","0.0772","","","","","","1.066","","","","has coordinates","273271","2022-03-03","21:16:42",""
"4519365","7.7368","0.0004","9.0843","0.0005","11.321","0.0006","90.118","0.001","99.312","0.001","97.756","0.001","777.78","0.07","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H16 Co2 N2 O10 -","- C12 H16 Co2 N2 O10 -","- C24 H32 Co4 N4 O20 -","2","1","","D'souza, Luann R.; Harmalkar, Nikita N.; Harmalkar, Sarvesh S.; Tayade, Sakharam B.; Dhuri, Sunder N.","Construction of Pyrazine-Appended 1D and 3D Cobalt(II) Succinate Coordination Polymers: Influence of Solvent on Architectures and Applications in Gas Adsorption and NAC Detection.","ACS omega","2022","7","7","5698","5712","10.1021/acsomega.1c05216","","","0.71073","MoKα","","0.0449","0.0309","","","0.0664","0.0737","","","","","","1.054","","","","has coordinates","273272","2022-03-03","21:17:05",""
"4519394","8.5453","0.0003","22.0815","0.0007","24.6638","0.0008","90","","97.013","0.001","90","","4619.1","0.3","120","2","120","2","","","","","","","synthesized by the authors","6","P 1 21/n 1","-P 2yn","14","","","","- C60 H40 B Cl2 F4 N -","- C60 H40 B Cl2 F4 N -","- C240 H160 B4 Cl8 F16 N4 -","4","1","","Ulč, Jan; Asanuma, Yuya; Moss, Robert; Manca, Gabriele; Císařová, Ivana; Kotora, Martin","Computational, Mechanistic, and Experimental Insights into Regioselective Catalytic C-C Bond Activation in Linear 1-Aza-[3]triphenylene.","ACS omega","2022","7","10","8665","8674","10.1021/acsomega.1c06664","","","1.54178","CuKα","","0.0436","0.0431","","","0.1074","0.1078","","","","","","1.035","","","","has coordinates","274250","2022-04-03","20:08:28",""
"4519395","11.0371","0.0006","13.4132","0.0007","15.606","0.0009","70.893","0.002","73.798","0.002","74.546","0.002","2057","0.2","120","2","120","2","","","","","","","synthesized by the authors","4","P -1","-P 1","2","","","","- C51 H45 N Si2 -","- C51 H45 N Si2 -","- C102 H90 N2 Si4 -","2","1","","Ulč, Jan; Asanuma, Yuya; Moss, Robert; Manca, Gabriele; Císařová, Ivana; Kotora, Martin","Computational, Mechanistic, and Experimental Insights into Regioselective Catalytic C-C Bond Activation in Linear 1-Aza-[3]triphenylene.","ACS omega","2022","7","10","8665","8674","10.1021/acsomega.1c06664","","","1.54178","CuKα","","0.0414","0.036","","","0.0918","0.0952","","","","","","1.019","","","","has coordinates","274251","2022-04-03","20:08:54",""
"4519396","8.2706","0.0003","34.0842","0.0013","15.5666","0.0005","90","","94.273","0.002","90","","4376","0.3","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C52 H47 Cl2 N Si2 -","- C52 H47 Cl2 N Si2 -","- C208 H188 Cl8 N4 Si8 -","4","1","","Ulč, Jan; Asanuma, Yuya; Moss, Robert; Manca, Gabriele; Císařová, Ivana; Kotora, Martin","Computational, Mechanistic, and Experimental Insights into Regioselective Catalytic C-C Bond Activation in Linear 1-Aza-[3]triphenylene.","ACS omega","2022","7","10","8665","8674","10.1021/acsomega.1c06664","","","1.54178","CuKα","","0.0692","0.0591","","","0.1406","0.1454","","","","","","1.12","","","","has coordinates","274252","2022-04-03","20:09:20",""
"4519397","15.5106","0.0007","4.9274","0.0002","18.1757","0.0009","90","","99.752","0.007","90","","1369.04","0.11","138","2","138","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","4-Phenylbenzo[4,5]pentaleno[1,2-c]thiophene","","- C20 H12 S -","- C20 H12 S -","- C80 H48 S4 -","4","1","","Gazdag, Tamás; Mayer, Péter J; Kalapos, Péter Pál; Holczbauer, Tamás; El Bakouri, Ouissam; London, Gábor","Unsymmetrical Thienopentalenes: Synthesis, Optoelectronic Properties, and (Anti)aromaticity Analysis.","ACS omega","2022","7","10","8336","8349","10.1021/acsomega.1c05618","","","0.71075","MoKα","","0.0639","0.058","","","0.1243","0.1272","","","","","","1.168","","","","has coordinates,has disorder","274253","2022-04-03","20:09:45",""
"4519398","44.87","0.02","8.909","0.004","14.807","0.007","90","","90.851","0.009","90","","5918","5","210","2","210","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C27 H20 Co2 N2 O12 S -","- C27 H20 Co2 N2 O12 S -","- C216 H160 Co16 N16 O96 S8 -","8","1","","Rothman, Jeffrey H.","Synthesis of Endocyclic Cycloalkyne Amino Acids.","ACS omega","2022","7","10","9053","9060","10.1021/acsomega.2c00270","","","0.71073","MoKα","","0.0824","0.0567","","","0.1403","0.1608","","","","","","1.053","","","","has coordinates","274254","2022-04-03","20:10:13",""
"4519399","9.2143","0.0002","12.7406","0.0003","12.62","0.0003","85.167","0.001","73.242","0.001","71.786","0.001","1347.51","0.05","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C52 H42 F4 N4 -","- C52 H42 F4 N4 -","- C52 H42 F4 N4 -","1","0.5","","Chou, Pallas; Kim, Lauren; Marzouk, Sammer M.; Sun, Rui; Hartnett, Alaina C.; Dogutan, Dilek K.; Zheng, Shao-Liang; Nocera, Daniel G.","Synthesis, Characterization, and Hydrogen Evolution Activity of Metallo-<i>meso</i>-(4-fluoro-2,6-dimethylphenyl)porphyrin Derivatives.","ACS omega","2022","7","10","8988","8994","10.1021/acsomega.2c00109","","","1.54178","CuKα","","0.0675","0.0528","","","0.1536","0.1666","","","","","","1.086","","","","has coordinates,has disorder","274255","2022-04-03","20:10:33",""
"4519400","9.5087","0.0001","7.8793","0.0001","18.5965","0.0002","90","","91.407","0.001","90","","1392.87","0.03","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H39 N O14 -","- C23 H39 N O14 -","- C46 H78 N2 O28 -","2","1","","Zhang, Tingting; Yang, Shiying; Zhang, Baoxi; Yang, Dezhi; Lu, Yang; Du, Guanhua","Insights Into the Properties of Amygdalin Solvatomorphs: X-ray Structures, Intermolecular Interactions, and Transformations.","ACS omega","2022","7","10","8906","8918","10.1021/acsomega.1c07314","","","1.54184","CuKα","","0.0476","0.0452","","","0.1239","0.1282","","","","","","1.064","","","","has coordinates,has disorder","274257","2022-04-03","20:10:54",""
"4519401","9.41201","0.00005","7.9414","0.00005","19.98256","0.00011","90","","97.5366","0.0005","90","","1480.68","0.015","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H43 N O14 -","- C25 H43 N O14 -","- C50 H86 N2 O28 -","2","1","","Zhang, Tingting; Yang, Shiying; Zhang, Baoxi; Yang, Dezhi; Lu, Yang; Du, Guanhua","Insights Into the Properties of Amygdalin Solvatomorphs: X-ray Structures, Intermolecular Interactions, and Transformations.","ACS omega","2022","7","10","8906","8918","10.1021/acsomega.1c07314","","","1.54184","CuKα","","0.0328","0.0326","","","0.0913","0.0916","","","","","","1.038","","","","has coordinates","274258","2022-04-03","20:11:16",""
"4519402","9.41164","0.00019","7.95651","0.00014","20.651","0.0004","90","","100.299","0.0017","90","","1521.51","0.05","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H45 N O14 -","- C26 H45 N O14 -","- C52 H90 N2 O28 -","2","1","","Zhang, Tingting; Yang, Shiying; Zhang, Baoxi; Yang, Dezhi; Lu, Yang; Du, Guanhua","Insights Into the Properties of Amygdalin Solvatomorphs: X-ray Structures, Intermolecular Interactions, and Transformations.","ACS omega","2022","7","10","8906","8918","10.1021/acsomega.1c07314","","x-ray","1.54184","CuKα","","0.0558","0.0541","","","0.1541","0.1574","","","","","","1.132","","","","has coordinates,has disorder","274259","2022-04-03","20:11:38",""
"4519403","14.3012","0.0012","8.9089","0.0008","16.767","0.0014","90","","96.005","0.001","90","","2124.5","0.3","296.15","","296.15","","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C49 H36 Au2 P2 S4 -","- C49 H36 Au2 P2 S4 -","- C98 H72 Au4 P4 S8 -","2","1","","Abe, Ryota; Tsuchido, Yoshitaka; Ide, Tomohito; Koizumi, Take-Aki; Osakada, Kohtaro","Digold(I) Thianthrenyl Complexes. Effect of Diphosphine Ligands on Molecular Structures in the Solid State and in Solution.","ACS omega","2022","7","11","9594","9601","10.1021/acsomega.1c06938","","","0.71073","MoKα","","0.013","0.0125","","","0.0272","0.0273","","","","","","0.735","","","","has coordinates","274260","2022-04-03","20:12:02",""
"4519404","16.0501","0.0002","17.0934","0.0002","20.701","0.0003","91.582","0.001","108.552","0.001","96.765","0.001","5333.93","0.12","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C108 H87 Au4 Cl8 P4 S8 -","- C108 H87 Au4 Cl8 P4 S8 -","- C216 H174 Au8 Cl16 P8 S16 -","2","1","","Abe, Ryota; Tsuchido, Yoshitaka; Ide, Tomohito; Koizumi, Take-Aki; Osakada, Kohtaro","Digold(I) Thianthrenyl Complexes. Effect of Diphosphine Ligands on Molecular Structures in the Solid State and in Solution.","ACS omega","2022","7","11","9594","9601","10.1021/acsomega.1c06938","","x-ray","1.54184","CuKα","","0.0728","0.0675","","","0.1912","0.1961","","","","","","1.04","","","","has coordinates","274261","2022-04-03","20:12:29",""
"4519405","18.48","0.0004","16.1182","0.0003","33.0678","0.0006","90","","90","","90","","9849.7","0.3","293","2","293","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C111 H98 Au4 O3 P4 S8 -","- C111 H98 Au4 O3 P4 S8 -","- C444 H392 Au16 O12 P16 S32 -","4","0.5","","Abe, Ryota; Tsuchido, Yoshitaka; Ide, Tomohito; Koizumi, Take-Aki; Osakada, Kohtaro","Digold(I) Thianthrenyl Complexes. Effect of Diphosphine Ligands on Molecular Structures in the Solid State and in Solution.","ACS omega","2022","7","11","9594","9601","10.1021/acsomega.1c06938","","x-ray","1.54184","CuKα","","0.0354","0.0302","","","0.0755","0.0779","","","","","","1.06","","","","has coordinates","274262","2022-04-03","20:12:55",""
"4519406","12.3768","0.0001","16.5846","0.0002","21.3999","0.0002","90","","101.368","0.001","90","","4306.46","0.08","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C50 H38 Au2 P2 S4 -","- C50 H38 Au2 P2 S4 -","- C200 H152 Au8 P8 S16 -","4","1","","Abe, Ryota; Tsuchido, Yoshitaka; Ide, Tomohito; Koizumi, Take-Aki; Osakada, Kohtaro","Digold(I) Thianthrenyl Complexes. Effect of Diphosphine Ligands on Molecular Structures in the Solid State and in Solution.","ACS omega","2022","7","11","9594","9601","10.1021/acsomega.1c06938","","x-ray","1.54184","CuKα","","0.0289","0.0255","","","0.0619","0.0633","","","","","","1.038","","","","has coordinates","274263","2022-04-03","20:13:20",""
"4519407","21.019","0.0018","7.8788","0.0007","46.469","0.004","90","","97.275","0.001","90","","7633.5","1.1","73","","73","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C34 H20 S4 -","- C34 H20 S4 -","- C408 H240 S48 -","12","3","","Abe, Ryota; Tsuchido, Yoshitaka; Ide, Tomohito; Koizumi, Take-Aki; Osakada, Kohtaro","Digold(I) Thianthrenyl Complexes. Effect of Diphosphine Ligands on Molecular Structures in the Solid State and in Solution.","ACS omega","2022","7","11","9594","9601","10.1021/acsomega.1c06938","","","0.71073","MoKα","","0.0811","0.0473","","","0.0949","0.1048","","","","","","1.01","","","","has coordinates","274264","2022-04-03","20:13:46",""
"4519408","10.2644","0.001","15.054","0.0009","10.2555","0.001","90","","119.67","0.007","90","","1376.9","0.2","180","2","180","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H48 N6 Si2 -","- C24.004 H48.008 N6.001 Si1.9966 -","- C48.008 H96.016 N12.002 Si3.9932 -","2","0.5","","Ryll, Christopher; Kraushaar, Konstantin; Wagler, Jörg; Brendler, Erica; Kroke, Edwin","Disilanes with Pentacoordinate Si Atoms by Carbon Dioxide Insertion into Aminodisilanes: Syntheses, Molecular Structures, and Dynamic Behavior.","ACS omega","2022","7","11","9527","9536","10.1021/acsomega.1c06868","","","0.71073","MoKα","","0.0678","0.0495","","","0.1349","0.1452","","","","","","1.049","","","","has coordinates,has disorder","274265","2022-04-03","20:15:21",""
"4519409","10.0211","0.0005","17.9266","0.0008","15.5703","0.0008","90","","103.901","0.004","90","","2715.2","0.2","180","2","180","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H48 N6 Si2 -","- C24 H48 N6 Si2 -","- C96 H192 N24 Si8 -","4","1","","Ryll, Christopher; Kraushaar, Konstantin; Wagler, Jörg; Brendler, Erica; Kroke, Edwin","Disilanes with Pentacoordinate Si Atoms by Carbon Dioxide Insertion into Aminodisilanes: Syntheses, Molecular Structures, and Dynamic Behavior.","ACS omega","2022","7","11","9527","9536","10.1021/acsomega.1c06868","","","0.71073","MoKα","","0.0672","0.0453","","","0.1176","0.1313","","","","","","1.086","","","","has coordinates,has disorder","274265","2022-04-03","20:15:21",""
"4519410","10.2419","0.0007","11.9781","0.0008","13.8119","0.0008","72.61","0.005","89.884","0.005","68.752","0.005","1496.25","0.18","180","2","180","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H46 N4 O9 Si2 -","- C22 H46 N4 O9 Si2 -","- C44 H92 N8 O18 Si4 -","2","1","","Ryll, Christopher; Kraushaar, Konstantin; Wagler, Jörg; Brendler, Erica; Kroke, Edwin","Disilanes with Pentacoordinate Si Atoms by Carbon Dioxide Insertion into Aminodisilanes: Syntheses, Molecular Structures, and Dynamic Behavior.","ACS omega","2022","7","11","9527","9536","10.1021/acsomega.1c06868","","","0.71073","MoKα","","0.0447","0.0371","","","0.099","0.1035","","","","","","1.054","","","","has coordinates,has disorder","274265","2022-04-03","20:15:21",""
"4519411","18.6575","0.0005","6.3147","0.0001","16.0768","0.0004","90","","96.139","0.002","90","","1883.25","0.08","180","2","180","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H28 N2 O4 Si2 -","- C14 H28 N2 O4 Si2 -","- C56 H112 N8 O16 Si8 -","4","1","","Ryll, Christopher; Kraushaar, Konstantin; Wagler, Jörg; Brendler, Erica; Kroke, Edwin","Disilanes with Pentacoordinate Si Atoms by Carbon Dioxide Insertion into Aminodisilanes: Syntheses, Molecular Structures, and Dynamic Behavior.","ACS omega","2022","7","11","9527","9536","10.1021/acsomega.1c06868","","","0.71073","MoKα","","0.0475","0.0374","","","0.0914","0.0963","","","","","","1.103","","","","has coordinates,has disorder","274265","2022-04-03","20:15:21",""
"4519412","9.773","0.0003","11.6396","0.0003","16.0521","0.0005","86.509","0.002","75.909","0.002","86.201","0.002","1765.26","0.09","180","2","180","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H40 Cl6 N4 O8 Si2 -","- C23.999 H39.999 Cl5.997 N4 O8 Si2 -","- C47.998 H79.998 Cl11.994 N8 O16 Si4 -","2","1","","Ryll, Christopher; Kraushaar, Konstantin; Wagler, Jörg; Brendler, Erica; Kroke, Edwin","Disilanes with Pentacoordinate Si Atoms by Carbon Dioxide Insertion into Aminodisilanes: Syntheses, Molecular Structures, and Dynamic Behavior.","ACS omega","2022","7","11","9527","9536","10.1021/acsomega.1c06868","","","0.71073","MoKα","","0.0449","0.0368","","","0.0909","0.0949","","","","","","1.063","","","","has coordinates,has disorder","274265","2022-04-03","20:15:22",""
"4519413","7.6684","0.0009","8.5044","0.0009","8.923","0.001","67.142","0.008","66.196","0.008","88.7","0.009","484.36","0.11","180","2","180","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H32 N2 O4 Si2 -","- C16 H32 N2 O4 Si2 -","- C16 H32 N2 O4 Si2 -","1","0.5","","Ryll, Christopher; Kraushaar, Konstantin; Wagler, Jörg; Brendler, Erica; Kroke, Edwin","Disilanes with Pentacoordinate Si Atoms by Carbon Dioxide Insertion into Aminodisilanes: Syntheses, Molecular Structures, and Dynamic Behavior.","ACS omega","2022","7","11","9527","9536","10.1021/acsomega.1c06868","","","0.71073","MoKα","","0.0327","0.0291","","","0.0773","0.0801","","","","","","1.064","","","","has coordinates","274265","2022-04-03","20:15:22",""
"4519414","9.3555","0.0006","19.1906","0.0008","10.8119","0.0006","90","","91.602","0.005","90","","1940.38","0.18","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H48 Cl6 N4 O8 Si2 -","- C28 H48 Cl6 N4 O8 Si2 -","- C56 H96 Cl12 N8 O16 Si4 -","2","0.5","","Ryll, Christopher; Kraushaar, Konstantin; Wagler, Jörg; Brendler, Erica; Kroke, Edwin","Disilanes with Pentacoordinate Si Atoms by Carbon Dioxide Insertion into Aminodisilanes: Syntheses, Molecular Structures, and Dynamic Behavior.","ACS omega","2022","7","11","9527","9536","10.1021/acsomega.1c06868","","","0.71073","MoKα","","0.0455","0.0336","","","0.0826","0.0893","","","","","","1.072","","","","has coordinates,has disorder","274265","2022-04-03","20:15:22",""
"4519415","26.638","0.003","13.754","0.002","7.5085","0.0009","90","","90","","90","","2751","0.6","296","2","296","2","","","","","","","","5","A e a 2","A 2 -2ab","41","","(E)-2-methoxy-6-(((4-(trifluoromethyl)phenyl)imino)methyl)phenol","","- C15 H12 F3 N O2 -","- C15 H12 F2.994 N O2 -","- C120 H96 F23.952 N8 O16 -","8","1","","Ashfaq, Muhammad; Khalid, Muhammad; Tahir, Muhammad Nawaz; Ali, Akbar; Arshad, Muhammad Nadeem; Asiri, Abdullah M.","Synthesis of Crystalline Fluoro-Functionalized Imines, Single Crystal Investigation, Hirshfeld Surface Analysis, and Theoretical Exploration.","ACS omega","2022","7","11","9867","9878","10.1021/acsomega.2c00288","","","0.71073","MoKα","","0.0572","0.0387","","","0.076","0.0842","","","","","","1.016","","","","has coordinates,has disorder","274266","2022-04-03","20:16:22",""
"4519416","7.1922","0.0018","7.5334","0.0016","12.289","0.003","90","","100.816","0.011","90","","654","0.3","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(E)-2-methoxy-6-(((4-(trifluoromethyl)phenyl)imino)methyl)phenol","","- C17 H12 F N O -","- C17 H12 F N O -","- C34 H24 F2 N2 O2 -","2","1","","Ashfaq, Muhammad; Khalid, Muhammad; Tahir, Muhammad Nawaz; Ali, Akbar; Arshad, Muhammad Nadeem; Asiri, Abdullah M.","Synthesis of Crystalline Fluoro-Functionalized Imines, Single Crystal Investigation, Hirshfeld Surface Analysis, and Theoretical Exploration.","ACS omega","2022","7","11","9867","9878","10.1021/acsomega.2c00288","","","0.71073","MoKα","","0.0802","0.0449","","","0.0979","0.1139","","","","","","1.001","","","","has coordinates","274267","2022-04-03","20:16:46",""
"4519417","7.6501","0.0006","12.0632","0.001","13.6914","0.0016","90","","90","","90","","1263.5","0.2","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H15 N O -","- C15 H15 N O -","- C60 H60 N4 O4 -","4","1","","Tatlidil, Digdem; Raza, Muhammad Asam; Dege, Necmi; Agar, Aysen Alaman; Farwa, Umme; Rehman, Shafiq Ur","Therapeutical Potential of Imines; Synthesis, Single Crystal Structure, Computational, Molecular Modeling, and ADMET Evaluation","ACS Omega","2022","7","12","10568","10579","10.1021/acsomega.2c00102","","","0.71073","MoKα","","0.0635","0.0395","","","0.0779","0.0849","","","","","","0.968","","","","has coordinates","274268","2022-04-03","20:17:07",""
"4519418","5.731","0.0002","12.9388","0.0008","18.826","0.001","90","","90","","90","","1395.99","0.12","296","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H17 N O2 -","- C16 H17 N O2 -","- C64 H68 N4 O8 -","4","1","","Tatlidil, Digdem; Raza, Muhammad Asam; Dege, Necmi; Agar, Aysen Alaman; Farwa, Umme; Rehman, Shafiq Ur","Therapeutical Potential of Imines; Synthesis, Single Crystal Structure, Computational, Molecular Modeling, and ADMET Evaluation","ACS Omega","2022","7","12","10568","10579","10.1021/acsomega.2c00102","","","0.71073","MoKα","","0.0579","0.0369","","","0.0867","0.0959","","","","","","0.947","","","","has coordinates","274269","2022-04-03","20:17:42",""
"4519419","8.6522","0.0008","32.232","0.003","14.3606","0.0013","90","","97.169","0.002","90","","3973.5","0.6","150","","150","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C24 H26 O5 -","- C24 H26 O5 -","- C192 H208 O40 -","8","2","","Fomina, Marina V.; Vatsadze, Sergey Z.; Freidzon, Alexandra Ya.; Kuz’mina, Lyudmila G.; Moiseeva, Anna A.; Starostin, Roman O.; Nuriev, Vyacheslav N.; Gromov, Sergey P.","Structure–Property Relationships of Dibenzylidenecyclohexanones","ACS Omega","2022","7","12","10087","10099","10.1021/acsomega.1c06129","","","0.71073","MoKα","","0.1212","0.0595","","","0.1271","0.1415","","","","","","1.013","","","","has coordinates","274270","2022-04-03","20:18:04",""
"4519420","8.8899","0.0003","9.4022","0.0003","20.6943","0.0007","90","","100.172","0.001","90","","1702.54","0.1","173.15","","173.15","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C22 H22 O3 -","- C22 H22 O3 -","- C88 H88 O12 -","4","1","","Fomina, Marina V.; Vatsadze, Sergey Z.; Freidzon, Alexandra Ya.; Kuz’mina, Lyudmila G.; Moiseeva, Anna A.; Starostin, Roman O.; Nuriev, Vyacheslav N.; Gromov, Sergey P.","Structure–Property Relationships of Dibenzylidenecyclohexanones","ACS Omega","2022","7","12","10087","10099","10.1021/acsomega.1c06129","","","0.71073","MoKα","","0.0513","0.0403","","","0.1071","0.1129","","","","","","1.037","","","","has coordinates","274271","2022-04-03","20:18:37",""
"4519421","21.798","0.003","8.9774","0.0016","9.6932","0.0018","90","","90","","90","","1896.9","0.6","150","2","150","2","","","","","","","","4","C m c 21","C 2c -2","36","","(2E,6E)-2,6-bis[4-(dimethylamino)benzylidene]cyclohexanone","","- C24 H28 N2 O -","- C24 H28 N2 O -","- C96 H112 N8 O4 -","4","0.5","","Fomina, Marina V.; Vatsadze, Sergey Z.; Freidzon, Alexandra Ya.; Kuz’mina, Lyudmila G.; Moiseeva, Anna A.; Starostin, Roman O.; Nuriev, Vyacheslav N.; Gromov, Sergey P.","Structure–Property Relationships of Dibenzylidenecyclohexanones","ACS Omega","2022","7","12","10087","10099","10.1021/acsomega.1c06129","","","0.71073","MoKα","","0.0713","0.0457","","","0.0995","0.1087","","","","","","1.032","","","","has coordinates","274272","2022-04-03","20:19:03",""
"4519422","9.2176","0.0011","22.382","0.003","18.333","0.002","90","","103.619","0.002","90","","3675.9","0.8","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(2E,6E)-2,6-bis[4-(methylthio)benzylidene]cyclohexanone","","- C22 H22 O S2 -","- C22 H22 O S2 -","- C176 H176 O8 S16 -","8","2","","Fomina, Marina V.; Vatsadze, Sergey Z.; Freidzon, Alexandra Ya.; Kuz’mina, Lyudmila G.; Moiseeva, Anna A.; Starostin, Roman O.; Nuriev, Vyacheslav N.; Gromov, Sergey P.","Structure–Property Relationships of Dibenzylidenecyclohexanones","ACS Omega","2022","7","12","10087","10099","10.1021/acsomega.1c06129","","","0.71073","MoKα","","0.1898","0.1075","","","0.296","0.324","","","","","","1.062","","","","has coordinates","274273","2022-04-03","20:19:31",""
"4519423","9.4669","0.0003","18.2488","0.0007","9.3371","0.0003","90","","115.269","0.001","90","","1458.72","0.09","170.15","","170.15","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H18 O -","- C20 H18 O -","- C80 H72 O4 -","4","1","","Fomina, Marina V.; Vatsadze, Sergey Z.; Freidzon, Alexandra Ya.; Kuz’mina, Lyudmila G.; Moiseeva, Anna A.; Starostin, Roman O.; Nuriev, Vyacheslav N.; Gromov, Sergey P.","Structure–Property Relationships of Dibenzylidenecyclohexanones","ACS Omega","2022","7","12","10087","10099","10.1021/acsomega.1c06129","","","0.71073","MoKα","","0.0483","0.0403","","","0.1082","0.1122","","","","","","1.061","","","","has coordinates","274274","2022-04-03","20:19:52",""
"4519515","2.87086","0.00017","2.87086","0.00017","2.87086","0.00017","90","","90","","90","","23.661","0.002","","","","","","","","","","","","1","I m -3 m","-I 4 2 3","229","α-Iron","","","- Fe -","- Fe -","- Fe2 -","2","0.0208333","","Sanchez-Perez, Clara; Knapp, Caroline E; Colman, Ross H; Sotelo-Vazquez, Carlos; Sathasivam,Sanjayan; Oilunkaniemi, Raija; Laitinen, Risto S.; Carmalt, Claire J.","Iron-intercalated zirconium diselenide thin films from the low-pressure chemical vapor deposition of[Fe(η^5-C_5H_4Se)_2Zr(η^5-C_5H_5)_2]_2","ACS Omega","2020","5","","15799","","10.1021/acsomega.0c00413","","","","","","","","","","","","","","","","","","","","","has coordinates","303191","2025-11-05","08:52:04",""