# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-11-24T16:08:48+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 sustainable chemistry & engineering') 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
"4515206","10.8699","0.0006","28.1809","0.0016","13.7206","0.0008","90","","97.267","0.002","90","","4169.2","0.4","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C46 H34 Cu2 N6 O13 S2 -","- C46 H34 Cu2 N6 O13 S2 -","- C184 H136 Cu8 N24 O52 S8 -","4","1","","Panda, Dillip K.; Maity, Krishnendu; Palukoshka, Andrei; Ibrahim, Faysal; Saha, Sourav","Li+ Ion-Conducting Sulfonate-Based Neutral Metal‒Organic Framework","ACS Sustainable Chemistry & Engineering","2019","7","5","4619","","10.1021/acssuschemeng.8b06254","","","0.71073","MoKα","","0.0805","0.0639","","","0.1295","0.1355","","","","","","1.188","","","","has coordinates,has disorder","220316","2020-10-21","18:00:00",""
"4515207","19.1883","0.0015","12.5853","0.001","19.3989","0.0015","90","","99.19","0.002","90","","4624.5","0.6","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C51 H60 N4 Nd O4 P -","- C51 H60 N4 Nd O4 P -","- C204 H240 N16 Nd4 O16 P4 -","4","1","","Cheisson, Thibault; Cole, Bren E.; Manor, Brian C.; Carroll, Patrick J.; Schelter, Eric J.","Phosphoryl-Ligand Adducts of Rare Earth-TriNOx Complexes: Systematic Studies and Implications for Separations Chemistry","ACS Sustainable Chemistry & Engineering","2019","7","5","4993","","10.1021/acssuschemeng.8b05638","","","0.71073","MoKα","","0.0987","0.0946","","","0.2207","0.2223","","","","","","1.374","","","","has coordinates,has disorder","288221","2023-12-11","22:20:44",""
"4515208","38.1969","0.0008","10.9454","0.0002","19.2649","0.0004","90","","102.615","0.001","90","","7859.8","0.3","100","","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C36 H54 N4 Nd O4 P -","- C36 H54 N4 Nd O4 P -","- C288 H432 N32 Nd8 O32 P8 -","8","1","","Cheisson, Thibault; Cole, Bren E.; Manor, Brian C.; Carroll, Patrick J.; Schelter, Eric J.","Phosphoryl-Ligand Adducts of Rare Earth-TriNOx Complexes: Systematic Studies and Implications for Separations Chemistry","ACS Sustainable Chemistry & Engineering","2019","7","5","4993","","10.1021/acssuschemeng.8b05638","","","0.71073","MoKα","","0.0205","0.0183","","","0.0446","0.046","","","","","","1.098","","","","has coordinates","288221","2023-12-11","22:20:44",""
"4515209","11.9949","0.0005","18.6326","0.0008","18.9129","0.0008","90","","94.109","0.002","90","","4216.1","0.3","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C39 H63 N7 Nd O4 P -","- C39 H63 N7 Nd O4 P -","- C156 H252 N28 Nd4 O16 P4 -","4","1","","Cheisson, Thibault; Cole, Bren E.; Manor, Brian C.; Carroll, Patrick J.; Schelter, Eric J.","Phosphoryl-Ligand Adducts of Rare Earth-TriNOx Complexes: Systematic Studies and Implications for Separations Chemistry","ACS Sustainable Chemistry & Engineering","2019","7","5","4993","","10.1021/acssuschemeng.8b05638","","","0.71073","MoKα","","0.0398","0.0281","","","0.0746","0.0892","","","","","","1.193","","","","has coordinates","220317","2020-10-21","18:00:00",""
"4515210","16.5739","0.0008","17.6173","0.0008","27.2443","0.0013","90","","94.233","0.002","90","","7933.3","0.6","100","","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C36 H54 N4 Nd O7 P -","- C36 H54 N4 Nd O7 P -","- C288 H432 N32 Nd8 O56 P8 -","8","1","","Cheisson, Thibault; Cole, Bren E.; Manor, Brian C.; Carroll, Patrick J.; Schelter, Eric J.","Phosphoryl-Ligand Adducts of Rare Earth-TriNOx Complexes: Systematic Studies and Implications for Separations Chemistry","ACS Sustainable Chemistry & Engineering","2019","7","5","4993","","10.1021/acssuschemeng.8b05638","","","0.71073","MoKα","","0.0312","0.0305","","","0.0721","0.0726","","","","","","1.045","","","","has coordinates,has disorder","220317","2020-10-21","18:00:00",""
"4515211","16.4859","0.0005","17.8257","0.0005","27.8903","0.0008","90","","92.188","0.001","90","","8190.2","0.4","100","","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C39 H60 N4 Nd O4 P -","- C39 H60 N4 Nd O4 P -","- C312 H480 N32 Nd8 O32 P8 -","8","1","","Cheisson, Thibault; Cole, Bren E.; Manor, Brian C.; Carroll, Patrick J.; Schelter, Eric J.","Phosphoryl-Ligand Adducts of Rare Earth-TriNOx Complexes: Systematic Studies and Implications for Separations Chemistry","ACS Sustainable Chemistry & Engineering","2019","7","5","4993","","10.1021/acssuschemeng.8b05638","","","0.71073","MoKα","","0.0321","0.0298","","","0.0692","0.0706","","","","","","1.033","","","","has coordinates,has disorder","220317","2020-10-21","18:00:00",""
"4515212","11.5283","0.0007","12.1595","0.0008","16.8509","0.001","86.866","0.002","85.925","0.002","76.097","0.002","2285.4","0.2","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C45 H72 N4 Nd O4 P -","- C45 H72 N4 Nd O4 P -","- C90 H144 N8 Nd2 O8 P2 -","2","1","","Cheisson, Thibault; Cole, Bren E.; Manor, Brian C.; Carroll, Patrick J.; Schelter, Eric J.","Phosphoryl-Ligand Adducts of Rare Earth-TriNOx Complexes: Systematic Studies and Implications for Separations Chemistry","ACS Sustainable Chemistry & Engineering","2019","7","5","4993","","10.1021/acssuschemeng.8b05638","","","0.71073","MoKα","","0.019","0.0172","","","0.0489","0.0538","","","","","","1.262","","","","has coordinates","220317","2020-10-21","18:00:00",""
"4515213","11.8184","0.0008","14.1946","0.0012","19.7841","0.0018","89.948","0.003","89.399","0.004","71.741","0.003","3151.6","0.4","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C33 H45 Dy N4 O3 -","- C33 H45 Dy N4 O3 -","- C132 H180 Dy4 N16 O12 -","4","2","","Cheisson, Thibault; Cole, Bren E.; Manor, Brian C.; Carroll, Patrick J.; Schelter, Eric J.","Phosphoryl-Ligand Adducts of Rare Earth-TriNOx Complexes: Systematic Studies and Implications for Separations Chemistry","ACS Sustainable Chemistry & Engineering","2019","7","5","4993","","10.1021/acssuschemeng.8b05638","","","0.71073","MoKα","","0.0316","0.0201","","","0.0373","0.0409","","","","","","1.054","","","","has coordinates","220317","2020-10-21","18:00:00",""
"4515214","14.5413","0.0004","18.4181","0.0004","15.8401","0.0004","90","","91.075","0.001","90","","4241.6","0.18","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C42 H66 N4 Nd O4 P -","- C42 H66 N4 Nd O4 P -","- C168 H264 N16 Nd4 O16 P4 -","4","1","","Cheisson, Thibault; Cole, Bren E.; Manor, Brian C.; Carroll, Patrick J.; Schelter, Eric J.","Phosphoryl-Ligand Adducts of Rare Earth-TriNOx Complexes: Systematic Studies and Implications for Separations Chemistry","ACS Sustainable Chemistry & Engineering","2019","7","5","4993","","10.1021/acssuschemeng.8b05638","","","0.71073","MoKα","","0.0174","0.0163","","","0.0377","0.0386","","","","","","1.11","","","","has coordinates","220317","2020-10-21","18:00:00",""
"4515215","16.1024","0.0004","13.8935","0.0004","17.4194","0.0005","90","","93.326","0.001","90","","3890.48","0.19","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C39 H60 Dy N4 O4 P -","- C39 H60 Dy N4 O4 P -","- C156 H240 Dy4 N16 O16 P4 -","4","1","","Cheisson, Thibault; Cole, Bren E.; Manor, Brian C.; Carroll, Patrick J.; Schelter, Eric J.","Phosphoryl-Ligand Adducts of Rare Earth-TriNOx Complexes: Systematic Studies and Implications for Separations Chemistry","ACS Sustainable Chemistry & Engineering","2019","7","5","4993","","10.1021/acssuschemeng.8b05638","","","0.71073","MoKα","","0.0238","0.0186","","","0.0394","0.0414","","","","","","1.035","","","","has coordinates","220317","2020-10-21","18:00:00",""
"4515216","11.903","0.002","18.563","0.003","18.834","0.003","90","","94.039","0.009","90","","4151.1","1.2","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C39 H63 Dy N7 O4 P -","- C39 H63 Dy N7 O4 P -","- C156 H252 Dy4 N28 O16 P4 -","4","1","","Cheisson, Thibault; Cole, Bren E.; Manor, Brian C.; Carroll, Patrick J.; Schelter, Eric J.","Phosphoryl-Ligand Adducts of Rare Earth-TriNOx Complexes: Systematic Studies and Implications for Separations Chemistry","ACS Sustainable Chemistry & Engineering","2019","7","5","4993","","10.1021/acssuschemeng.8b05638","","","0.71073","MoKα","","0.0362","0.0246","","","0.0539","0.0573","","","","","","1.029","","","","has coordinates","220317","2020-10-21","18:00:00",""
"4515217","12.054","0.0005","18.776","0.001","18.8372","0.0009","90","","90.503","0.002","90","","4263.2","0.4","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C42 H66 Dy N4 O4 P -","- C42 H66 Dy N4 O4 P -","- C168 H264 Dy4 N16 O16 P4 -","4","1","","Cheisson, Thibault; Cole, Bren E.; Manor, Brian C.; Carroll, Patrick J.; Schelter, Eric J.","Phosphoryl-Ligand Adducts of Rare Earth-TriNOx Complexes: Systematic Studies and Implications for Separations Chemistry","ACS Sustainable Chemistry & Engineering","2019","7","5","4993","","10.1021/acssuschemeng.8b05638","","","0.71073","MoKα","","0.0299","0.0237","","","0.0565","0.0593","","","","","","1.029","","","","has coordinates","220317","2020-10-21","18:00:00",""
"4515218","6.217","0.002","7.746","0.003","9.321","0.003","90","","109.041","0.005","90","","424.3","0.3","90","0.2","90","0.2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C8 H13 N O4 -","- C8 H13 N O4 -","- C16 H26 N2 O8 -","2","1","","Sagawa, Takuya; Kobayashi, Hirokazu; Murata, Chinatsu; Shichibu, Yukatsu; Konishi, Katsuaki; Fukuoka, Atsushi","Catalytic Conversion of a Chitin-Derived Sugar Alcohol to an Amide-Containing Isosorbide Analog","ACS Sustainable Chemistry & Engineering","2019","7","17","14883","","10.1021/acssuschemeng.9b02985","","","0.71073","MoKα","","0.0357","0.0313","","","0.0664","0.0685","","","","","","1.079","","","","has coordinates","220318","2020-10-21","18:00:00",""
"4515219","18.1977","0.0005","8.4952","0.0002","19.6349","0.0005","90","","111.389","0.003","90","","2826.36","0.14","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C44 H94 Cl6 N4 O4 Sn -","- C44 H94 Cl6 N4 O4 Sn -","- C88 H188 Cl12 N8 O8 Sn2 -","2","0.5","","Doidge, Euan D.; Kinsman, Luke M. M.; Ji, Yiran; Carson, Innis; Duffy, Andrew J.; Kordas, Izabela A.; Shao, Eddie; Tasker, Peter A.; Ngwenya, Bryne T.; Morrison, Carole A.; Love, Jason B.","Evaluation of Simple Amides in the Selective Recovery of Gold from Secondary Sources by Solvent Extraction","ACS Sustainable Chemistry & Engineering","2019","7","17","15019","","10.1021/acssuschemeng.9b03436","","","0.71073","MoKα","","0.04","0.0309","","","0.1072","0.1192","","","","","","0.892","","","","has coordinates","220319","2020-10-21","18:00:00",""
"4515220","39.1","0.002","39.1","0.002","16.7147","0.0009","90","","90","","120","","22130","2","210","","210","","","","","","","","","6","P 6/m m m","-P 6 2","191","","","","- C21.46 H10 Cl0.25 Cr0.25 O8 Zr1.5 -","- C21.46 H10 Cl0.25 Cr0.25 O8 Zr1.5 -","- C257.52 H120 Cl3 Cr3 O96 Zr18 -","12","0.5","","Goetjen, Timothy A.; Zhang, Xuan; Liu, Jian; Hupp, Joseph T.; Farha, Omar K.","Metal‒Organic Framework Supported Single Site Chromium(III) Catalyst for Ethylene Oligomerization at Low Pressure and Temperature","ACS Sustainable Chemistry & Engineering","2019","7","2","2553","","10.1021/acssuschemeng.8b05524","","","1.54178","CuKα","","0.1642","0.1403","","","0.3816","0.4006","","","","","","1.401","","","","has coordinates,has disorder","220320","2020-10-21","18:00:00",""
"4515221","13.0502","0.0007","4.5002","0.0002","15.3524","0.0008","90","","99.661","0.005","90","","888.84","0.08","100.01","0.1","100.01","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H8 Cl I O -","- C8 H8 Cl I O -","- C32 H32 Cl4 I4 O4 -","4","1","","Yi, Wei; Wang, Peng-Fei; Lu, Meng; Liu, Qian-Qian; Bai, Xue; Chen, Kai-Die; Zhang, Jing-Wen; Liu, Gong-Qing","Environmentally Friendly Protocol for the Oxidative Iodofunctionalization of Olefins in a Green Solvent","ACS Sustainable Chemistry & Engineering","2019","7","19","16777","","10.1021/acssuschemeng.9b04298","","x-ray","0.71073","MoKα","","0.0198","0.0189","","","0.0455","0.0461","","","","","","1.077","","","","has coordinates","220321","2020-10-21","18:00:00",""
"4515222","9.1158","0.0005","32.969","0.002","19.0369","0.0011","90","","98.12","0.002","90","","5664","0.6","110","2","110.48","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C68 H67 N8 O6 -","- C68 H67 N8 O6 -","- C272 H268 N32 O24 -","4","1","","Paul, Suparna; Bhuyan, Samuzal; Mukhopadhyay, Subhra Kanti; Murmu, Naresh Chandra; Banerjee, Priyabrata","Sensitive and Selective in Vitro Recognition of Biologically Toxic As(III) by Rhodamine Based Chemoreceptor","ACS Sustainable Chemistry & Engineering","2019","7","16","13687","","10.1021/acssuschemeng.9b00935","","","0.71073","MoKα","","0.1123","0.0597","","","0.1411","0.1759","","","","","","1.017","","","","has coordinates,has disorder","220322","2020-10-21","18:00:00",""
"4515223","9.6843","0.0005","15.0889","0.0007","16.578","0.0008","89.55","0.001","78.093","0.001","81.195","0.002","2341.7","0.2","153","","153.15","","","","","","","","","6","P -1","-P 1","2","","","","- C46 H34 F18 I2 N2 O2 -","- C46 H34 F18 I2 N2 O2 -","- C92 H68 F36 I4 N4 O4 -","2","1","","Wang, Shuo-Wen; Yu, Jian; Zhou, Qin-Yi; Chen, Si-Yu; Xu, Zhen-Hua; Tang, Shi","Visible-Light-Induced Atom Transfer Radical Addition and Cyclization of Perfluoroalkyl Halides with 1,n-Enynes","ACS Sustainable Chemistry & Engineering","2019","7","11","10154","","10.1021/acssuschemeng.9b02178","","","0.71073","MoKα","","0.0489","0.0379","","","0.0874","0.0924","","","","","","1.027","","","","has coordinates,has disorder","220323","2020-10-21","18:00:00",""
"4515224","11.21892","0.00011","11.41336","0.00011","47.0823","0.0004","90","","90","","90","","6028.68","0.1","100.01","0.1","100","0.1","","","","","","","synthesis as described","6","P 21 21 21","P 2ac 2ab","19","","","","- C8 H10 F6 N4 O4 S2 -","- C8 H10 F6 N4 O4 S2 -","- C128 H160 F96 N64 O64 S32 -","16","4","","Zulfiqar, Sonia; Mantione, Daniele; El Tall, Omar; Ruipérez, Fernando; Sarwar, Muhammad Ilyas; Rothenberger, Alexander; Mecerreyes, David","Pyridinium Containing Amide Based Polymeric Ionic Liquids for CO2/CH4 Separation","ACS Sustainable Chemistry & Engineering","2019","7","12","10241","","10.1021/acssuschemeng.9b01903","","x-ray","1.54184","","","0.0354","0.0334","","","0.0783","0.0791","","","","","","1.05","","","","has coordinates","220324","2020-10-21","18:00:00",""
"4515225","18.5028","0.0007","11.5294","0.0005","20.0879","0.0008","90","","90","","90","","4285.3","0.3","293","2","293","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C30 H30 Cu6 N12 O0 S6 -","- C30 H30 Cu6 N12 S6 -","- C120 H120 Cu24 N48 S24 -","4","1","","Wang, XiaoXuan; Xu, XinXin; Liu, Ning; Shi, Fa-Nian; Shi, GuiMei","Zn‒H+ Battery, Versatile Energy Conversion Equipment for Electricity Generation and H2 Production Simultaneously","ACS Sustainable Chemistry & Engineering","2019","7","12","10979","","10.1021/acssuschemeng.9b02048","","","0.71073","MoKα","","0.078","0.0674","","","0.1925","0.2012","","","","","","1.426","","","","has coordinates","220325","2020-10-21","18:00:00",""
"4516230","11.2976","0.0007","14.1599","0.0008","15.1689","0.001","90","","107.882","0.007","90","","2309.4","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H36 Cu4 I4 N4 S8 -","- C36 H36 Cu4 I4 N4 S8 -","- C72 H72 Cu8 I8 N8 S16 -","2","0.5","","Liu, Guang-Ning; Xu, Rang-Dong; Zhao, Ruo-Yu; Sun, Yiqiang; Bo, Qi-Bing; Duan, Zhong-Yao; Li, Yue-Hua; Wang, Yang-Yang; Wu, Qian; Li, Cuncheng","Hybrid Copper Iodide Cluster-Based Pellet Sensor for Highly Selective Optical Detection of o-Nitrophenol and Tetracycline Hydrochloride in Aqueous Solution","ACS Sustainable Chemistry & Engineering","2019","7","23","18863","","10.1021/acssuschemeng.9b03963","","x-ray","0.71073","MoKα","","0.0357","0.026","","","0.0542","0.0587","","","","","","1.065","","","","has coordinates","246541","2020-10-21","18:00:00",""
"4517003","11.5414","0.0003","12.288","0.0006","10.9161","0.0005","90","","115.252","0.002","90","","1400.19","0.1","298","2","298","","","","100","","","","LAPESSB","5","P 1 21/c 1","-P 2ybc","14","Crystal_OP18","N'[(1E)-(4-methoxyphenyl)methylidene]benzenesulfonohydrazide","","- C14 H14 N2 O3 S -","- C14 H14 N2 O3 S -","- C56 H56 N8 O12 S4 -","4","1","","Cunha, Micael R.; Tavares, Maurício T.; Carvalho, Camila F.; Silva, Nuno A. T.; Souza, Alfredo D. F.; Pereira, Gustavo J. V.; Ferreira, Fábio F.; Parise-Filho, Roberto","Environmentally Safe Condition for the Synthesis of Aryl and Alkyl Sulfonyl Hydrazones via One-Pot Reaction","ACS Sustainable Chemistry & Engineering","2016","4","4","1899","","10.1021/acssuschemeng.6b00193","powder diffraction","x-ray","0.70926","MoKα~1~","","","","","","","","","0.0295","1.637","","","","","","","has coordinates","239685","2020-10-21","18:00:00",""
"4517004","5.6317","0.0006","7.7476","0.0008","11.7256","0.0013","96.036","0.003","92.324","0.004","104.799","0.003","490.69","0.09","120","2","120","2","","","","","","","","3","P -1","-P 1","2","","","","- C11 H10 O5 -","- C11 H10 O5 -","- C22 H20 O10 -","2","1","","Wilson, Jedediah; Chen, Eugene Y.-X.","Organocatalytic Cross-Coupling of Biofuranics to Multifunctional Difuranic C11 Building Blocks","ACS Sustainable Chemistry & Engineering","2016","4","9","4927","","10.1021/acssuschemeng.6b01235","","","0.71073","MoKα","","0.0461","0.0404","","","0.1078","0.1221","","","","","","1.089","","","","has coordinates","239686","2020-10-21","18:00:00",""
"4517005","41.6712","0.0009","9.02761","0.00018","26.1878","0.0005","90","","128.247","0.0009","90","","7737","0.3","173","","173","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C38 H48 N6 O13 -","- C38 H48 N6 O13 -","- C304 H384 N48 O104 -","8","1","","Udagawa, Akihiro; Johnston, Priscilla; Uekusa, Hidehiro; Koshima, Hideko; Saito, Kei; Asahi, Toru","Solid-State Photochemical Reaction of Multisubstituted Thymine Derivatives","ACS Sustainable Chemistry & Engineering","2016","4","11","6107","","10.1021/acssuschemeng.6b01529","","","1.54187","CuKα","","0.0787","0.0685","","","0.2005","0.2137","","","","","","1.102","","","","has coordinates","239687","2020-10-21","18:00:00",""
"4517006","11.0679","0.0005","13.2125","0.0005","16.1614","0.0007","90","","106.704","0.003","90","","2263.63","0.17","173","","173","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C46 H54 N8 O16 -","- C46 H54 N8 O16 -","- C92 H108 N16 O32 -","2","0.5","","Udagawa, Akihiro; Johnston, Priscilla; Uekusa, Hidehiro; Koshima, Hideko; Saito, Kei; Asahi, Toru","Solid-State Photochemical Reaction of Multisubstituted Thymine Derivatives","ACS Sustainable Chemistry & Engineering","2016","4","11","6107","","10.1021/acssuschemeng.6b01529","","","1.54187","CuKα","","0.0719","0.0595","","","0.167","0.1803","","","","","","1.083","","","","has coordinates","239688","2020-10-21","18:00:00",""
"4517007","10.943","0.0007","12.7063","0.0008","19.0931","0.0012","90","","95.517","0.003","90","","2642.5","0.3","173","","173","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H32 N4 O9 -","- C26 H32 N4 O9 -","- C104 H128 N16 O36 -","4","1","","Udagawa, Akihiro; Johnston, Priscilla; Uekusa, Hidehiro; Koshima, Hideko; Saito, Kei; Asahi, Toru","Solid-State Photochemical Reaction of Multisubstituted Thymine Derivatives","ACS Sustainable Chemistry & Engineering","2016","4","11","6107","","10.1021/acssuschemeng.6b01529","","","1.54187","CuKα","","0.1267","0.0944","","","0.2531","0.2997","","","","","","1.144","","","","has coordinates","239689","2020-10-21","18:00:00",""
"4517008","19.0828","0.0012","11.0641","0.0005","21.971","0.0011","90","","99.81","0.005","90","","4571","0.4","173","","173","","","","","","","","","5","I 1 a 1","I -2ya","9","","","","- C22 H28 Na O9 S -","- C22 H28 Na O9 S -","- C176 H224 Na8 O72 S8 -","8","2","","Miles-Barrett, Daniel M.; Montgomery, James R. D.; Lancefield, Christopher S.; Cordes, David B.; Slawin, Alexandra M. Z.; Lebl, Tomas; Carr, Reuben; Westwood, Nicholas J.","Use of Bisulfite Processing To Generate High-β-O-4 Content Water-Soluble Lignosulfonates","ACS Sustainable Chemistry & Engineering","2017","5","2","1831","","10.1021/acssuschemeng.6b02566","","","1.54187","CuKα","","0.0699","0.0631","","","0.1738","0.181","","","","","","1.04","","","","has coordinates","289785","2024-02-12","08:29:28",""
"4517009","7.8249","0.0007","22.011","0.002","12.217","0.0011","90","","99.059","0.002","90","","2077.9","0.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H15 Cl2 F N4 O8 -","- C20 H15 Cl2 F N4 O8 -","- C80 H60 Cl8 F4 N16 O32 -","4","1","","Chen, Liang; Huang, Rong; Du, Xuan-Xuan; Yan, Sheng-Jiao; Lin, Jun","One-Pot Synthesis of Highly Functionalized Bicyclic Imidazopyridinium Derivatives in Ethanol","ACS Sustainable Chemistry & Engineering","2017","5","2","1899","","10.1021/acssuschemeng.6b02622","","","0.71073","MoKα","","0.0509","0.0429","","","0.1057","0.111","","","","","","0.982","","","","has coordinates","239691","2020-10-21","18:00:00",""
"4517010","7.8228","0.0004","19.98","0.001","17.1179","0.0007","90","","91.087","0.001","90","","2675","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H16 N O4 Zn -","- C28 H16 N O4 Zn -","- C112 H64 N4 O16 Zn4 -","4","1","","Zhao, Hongmei; Xia, Qiansu; Xing, Hongzhu; Chen, Dashu; Wang, Hong","Construction of Pillared-Layer MOF as Efficient Visible-Light Photocatalysts for Aqueous Cr(VI) Reduction and Dye Degradation","ACS Sustainable Chemistry & Engineering","2017","5","5","4449","","10.1021/acssuschemeng.7b00641","","","0.71073","MoKα","","0.0483","0.0313","","","0.0675","0.0762","","","","","","1.069","","","","has coordinates","239692","2020-10-21","18:00:00",""
"4517011","16.376","0.005","5.782","0.002","19.03","0.006","90","","100.86","0.03","90","","1769.6","1","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H18 N2 O2 S -","- C21 H18 N2 O2 S -","- C84 H72 N8 O8 S4 -","4","1","","Pigulski, Bartłomiej; Cichos, Jakub; Szafert, Sławomir","Polyynes as Precursors of Photoluminescent Solvent Polarity Probes","ACS Sustainable Chemistry & Engineering","2017","5","8","7077","","10.1021/acssuschemeng.7b01274","","","1.54184","CuKα","","0.2546","0.086","","","0.189","0.2242","","","","","","0.61","","","","has coordinates,has disorder","239693","2020-10-21","18:00:00",""
"4517012","6.7039","0.0012","10.6697","0.0018","22.602","0.004","90","","90","","90","","1616.7","0.5","100","2","100","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C16 H20 N2 O5 S -","- C16 H20 N2 O5 S -","- C64 H80 N8 O20 S4 -","4","0.5","","Mehrotra, Sonam; Raje, Sakthi; Jain, Anant Kumar; Angamuthu, Raja","Benzimidazolines Convert Sulfur Dioxide to Bisulfate at Room Temperature and Atmospheric Pressure Utilizing Aerial Oxygen","ACS Sustainable Chemistry & Engineering","2017","5","7","6322","","10.1021/acssuschemeng.7b01495","","","0.71073","MoKα","","0.1008","0.0648","","","0.1552","0.1754","","","","","","1.024","","","","has coordinates,has disorder","239694","2020-10-21","18:00:00",""
"4517013","10.8743","0.0008","12.9713","0.0009","13.3718","0.001","64.0149","0.0019","71.014","0.002","70.772","0.002","1564","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H20 N5 O5 S -","- C15 H16 N2 O5 S -","- C60 H64 N8 O20 S4 -","4","2","","Mehrotra, Sonam; Raje, Sakthi; Jain, Anant Kumar; Angamuthu, Raja","Benzimidazolines Convert Sulfur Dioxide to Bisulfate at Room Temperature and Atmospheric Pressure Utilizing Aerial Oxygen","ACS Sustainable Chemistry & Engineering","2017","5","7","6322","","10.1021/acssuschemeng.7b01495","","","0.71073","MoKα","","0.0619","0.0439","","","0.1279","0.1427","","","","","","1.02","","","","has coordinates","239695","2020-10-21","18:00:00",""
"4517014","7.907","0.005","8.536","0.005","11.911","0.005","83.119","0.005","78.561","0.005","83.567","0.005","779.1","0.7","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H14 Br N3 O4 S -","- C14 H14 Br N3 O4 S -","- C28 H28 Br2 N6 O8 S2 -","2","1","","Mehrotra, Sonam; Raje, Sakthi; Jain, Anant Kumar; Angamuthu, Raja","Benzimidazolines Convert Sulfur Dioxide to Bisulfate at Room Temperature and Atmospheric Pressure Utilizing Aerial Oxygen","ACS Sustainable Chemistry & Engineering","2017","5","7","6322","","10.1021/acssuschemeng.7b01495","","","0.71073","MoKα","","0.0495","0.0428","","","0.1456","0.1523","","","","","","1.249","","","","has coordinates","239696","2020-10-21","18:00:00",""
"4517015","17.516","0.005","19.233","0.006","23.482","0.007","90","","90","","90","","7911","4","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C36 H34 Fe I2 N10 -","- C36 H34 Fe I2 N10 -","- C288 H272 Fe8 I16 N80 -","8","1","","Chen, Fei; Liu, Ning; Dai, Bin","Iron(II) Bis-CNN Pincer Complex-Catalyzed Cyclic Carbonate Synthesis at Room Temperature","ACS Sustainable Chemistry & Engineering","2017","5","10","9065","","10.1021/acssuschemeng.7b01990","","","0.71073","MoKα","","0.1288","0.0857","","","0.2502","0.2816","","","","","","0.992","","","","has coordinates","239697","2020-10-21","18:00:00",""
"4517016","12.549","0.007","7.632","0.007","16.158","0.01","90","","109.74","0.05","90","","1456.6","1.9","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H9 N2 O4 Zn -","- C13 H9 N2 O4 Zn -","- C52 H36 N8 O16 Zn4 -","4","1","","Senthilkumar, S.; Goswami, Ranadip; Obasi, Nnamdi Lawrence; Neogi, Subhadip","Construction of Pillar-Layer Metal‒Organic Frameworks for CO2 Adsorption under Humid Climate: High Selectivity and Sensitive Detection of Picric Acid in Water","ACS Sustainable Chemistry & Engineering","2017","5","12","11307","","10.1021/acssuschemeng.7b02087","","","0.71073","MoKα","","0.0792","0.0601","","","0.1164","0.1493","","","","","","1.019","","","","has coordinates","239698","2020-10-21","18:00:00",""
"4517017","14.702","0.004","7.736","0.002","15.973","0.005","90","","107.124","0.007","90","","1736.1","0.9","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H9 N3 O4 Zn -","- C13 H9 N3 O4 Zn -","- C52 H36 N12 O16 Zn4 -","4","1","","Senthilkumar, S.; Goswami, Ranadip; Obasi, Nnamdi Lawrence; Neogi, Subhadip","Construction of Pillar-Layer Metal‒Organic Frameworks for CO2 Adsorption under Humid Climate: High Selectivity and Sensitive Detection of Picric Acid in Water","ACS Sustainable Chemistry & Engineering","2017","5","12","11307","","10.1021/acssuschemeng.7b02087","","","0.71073","MoKα","","0.0897","0.0567","","","0.1133","0.1426","","","","","","0.935","","","","has coordinates","239698","2020-10-21","18:00:00",""
"4517018","35.331","0.002","7.6491","0.0004","16.0546","0.0008","90","","108.658","0.002","90","","4110.7","0.4","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H10 N2 O4 Zn -","- C14 H10 N2 O4 Zn -","- C112 H80 N16 O32 Zn8 -","8","1","","Senthilkumar, S.; Goswami, Ranadip; Obasi, Nnamdi Lawrence; Neogi, Subhadip","Construction of Pillar-Layer Metal‒Organic Frameworks for CO2 Adsorption under Humid Climate: High Selectivity and Sensitive Detection of Picric Acid in Water","ACS Sustainable Chemistry & Engineering","2017","5","12","11307","","10.1021/acssuschemeng.7b02087","","","0.71073","MoKα","","0.0519","0.0354","","","0.0814","0.086","","","","","","0.959","","","","has coordinates","239698","2020-10-21","18:00:00",""
"4517019","5.535","0.002","19.583","0.009","11.673","0.005","90","","97.599","0.006","90","","1254.1","0.9","150","2","150","2","","","101.3","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C11 H7 N5 O7 -","- C11 H7 N5 O7 -","- C44 H28 N20 O28 -","4","1","","Senthilkumar, S.; Goswami, Ranadip; Obasi, Nnamdi Lawrence; Neogi, Subhadip","Construction of Pillar-Layer Metal‒Organic Frameworks for CO2 Adsorption under Humid Climate: High Selectivity and Sensitive Detection of Picric Acid in Water","ACS Sustainable Chemistry & Engineering","2017","5","12","11307","","10.1021/acssuschemeng.7b02087","","x-ray","0.71073","MoKα","","0.1075","0.0755","","","0.116","0.1652","","","","","","0.995","","","","has coordinates,has disorder","239698","2020-10-21","18:00:00",""
"4517020","11.2185","0.0003","13.1576","0.0004","13.44","0.0005","111.204","0.003","93.969","0.003","112.787","0.003","1653.87","0.12","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C38 H36 N2 O7 -","- C38 H36 N2 O7 -","- C76 H72 N4 O14 -","2","1","","García-Montero, Angel; Rodriguez, Antonio M.; Juan, Alberto; Velders, Aldrik H.; Denisi, Antonio; Jiménez-Osés, Gonzalo; Gómez-Bengoa, Enrique; Cativiela, Carlos; Gómez, Maria Victoria; Urriolabeitia, Esteban P.","Metal-Free [2 + 2]-Photocycloaddition of (Z)-4-Aryliden-5(4H)-Oxazolones as Straightforward Synthesis of 1,3-Diaminotruxillic Acid Precursors: Synthetic Scope and Mechanistic Studies","ACS Sustainable Chemistry & Engineering","2017","5","9","8370","","10.1021/acssuschemeng.7b02140","","","0.71073","MoKα","","0.0421","0.0351","","","0.0802","0.0847","","","","","","1.021","","","","has coordinates","239699","2020-10-21","18:00:00",""
"4517021","7.5802","0.0004","9.6279","0.0006","10.5678","0.0009","69.46","0.007","73.023","0.006","68.198","0.005","658.87","0.09","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C34 H26 N2 O4 -","- C34 H26 N2 O4 -","- C34 H26 N2 O4 -","1","0.5","","García-Montero, Angel; Rodriguez, Antonio M.; Juan, Alberto; Velders, Aldrik H.; Denisi, Antonio; Jiménez-Osés, Gonzalo; Gómez-Bengoa, Enrique; Cativiela, Carlos; Gómez, Maria Victoria; Urriolabeitia, Esteban P.","Metal-Free [2 + 2]-Photocycloaddition of (Z)-4-Aryliden-5(4H)-Oxazolones as Straightforward Synthesis of 1,3-Diaminotruxillic Acid Precursors: Synthetic Scope and Mechanistic Studies","ACS Sustainable Chemistry & Engineering","2017","5","9","8370","","10.1021/acssuschemeng.7b02140","","","0.71073","MoKα","","0.0479","0.0382","","","0.0911","0.0966","","","","","","1.025","","","","has coordinates","239699","2020-10-21","18:00:00",""
"4517022","13.9228","0.0005","17.8301","0.0006","16.472","0.0007","90","","111.643","0.005","90","","3800.8","0.3","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H34 Cl4 N2 O8 -","- C38 H34 Cl4 N2 O8 -","- C152 H136 Cl16 N8 O32 -","4","1","","García-Montero, Angel; Rodriguez, Antonio M.; Juan, Alberto; Velders, Aldrik H.; Denisi, Antonio; Jiménez-Osés, Gonzalo; Gómez-Bengoa, Enrique; Cativiela, Carlos; Gómez, Maria Victoria; Urriolabeitia, Esteban P.","Metal-Free [2 + 2]-Photocycloaddition of (Z)-4-Aryliden-5(4H)-Oxazolones as Straightforward Synthesis of 1,3-Diaminotruxillic Acid Precursors: Synthetic Scope and Mechanistic Studies","ACS Sustainable Chemistry & Engineering","2017","5","9","8370","","10.1021/acssuschemeng.7b02140","","","0.71073","MoKα","","0.1056","0.063","","","0.1514","0.178","","","","","","1.043","","","","has coordinates","239699","2020-10-21","18:00:00",""
"4517023","12.4183","0.0008","13.3678","0.0005","8.9785","0.0004","90","","93.613","0.004","90","","1487.52","0.13","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H15 N O4 -","- C18 H15 N O4 -","- C72 H60 N4 O16 -","4","1","","García-Montero, Angel; Rodriguez, Antonio M.; Juan, Alberto; Velders, Aldrik H.; Denisi, Antonio; Jiménez-Osés, Gonzalo; Gómez-Bengoa, Enrique; Cativiela, Carlos; Gómez, Maria Victoria; Urriolabeitia, Esteban P.","Metal-Free [2 + 2]-Photocycloaddition of (Z)-4-Aryliden-5(4H)-Oxazolones as Straightforward Synthesis of 1,3-Diaminotruxillic Acid Precursors: Synthetic Scope and Mechanistic Studies","ACS Sustainable Chemistry & Engineering","2017","5","9","8370","","10.1021/acssuschemeng.7b02140","","","0.71073","MoKα","","0.1019","0.0632","","","0.1384","0.1596","","","","","","1.044","","","","has coordinates","239699","2020-10-21","18:00:00",""
"4517024","13.96","0.003","19.71","0.004","15.38","0.003","90","","116.32","0.003","90","","3793.1","1.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H34 F3 N3 O3 -","- C32 H34 F3 N3 O3 -","- C128 H136 F12 N12 O12 -","4","1","","Wang, Bao-Qu; Luo, Qin; Xiao, Qiang; Lin, Jun; Yan, Sheng-Jiao","Synthesis of Quinone Methide Substituted Neonicotinoid Derivatives via 1,6-Conjugate Addition of N-Benzyl Nitro Ketene Aminals with para-Quinone Methides Accompanying Oxidation","ACS Sustainable Chemistry & Engineering","2017","5","9","8382","","10.1021/acssuschemeng.7b02166","","","0.71073","MoKα","","0.1856","0.1233","","","0.4162","0.4529","","","","","","1.002","","","","has coordinates","258458","2020-10-21","18:00:00",""
"4517025","3.8541","0.0004","6.0625","0.0005","24.554","0.002","90","","94.163","0.004","90","","572.2","0.09","100","2","100","2","","","","","","","","3","P 1 2/n 1","-P 2yac","13","","","","- C12 H14 O8 -","- C12 H14 O8 -","- C24 H28 O16 -","2","0.5","","Kumalaputri, Angela J.; Randolph, Caelan; Otten, Edwin; Heeres, Hero J.; Deuss, Peter J.","Lewis Acid Catalyzed Conversion of 5-Hydroxymethylfurfural to 1,2,4-Benzenetriol, an Overlooked Biobased Compound.","ACS sustainable chemistry & engineering","2018","6","3","3419","3425","10.1021/acssuschemeng.7b03648","","","0.71073","MoKα","","0.0712","0.0668","","","0.1704","0.1729","","","","","","1.039","","","","has coordinates","239701","2020-10-21","18:00:00",""
"4517026","5.6334","0.0005","17.0832","0.0016","20.6455","0.0019","90","","90","","90","","1986.9","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H24 N2 O S -","- C21 H24 N2 O S -","- C84 H96 N8 O4 S4 -","4","1","","Dahiya, Anjali; Ali, Wajid; Patel, Bhisma K.","Catalyst and Solvent Free Domino Ring Opening Cyclization: A Greener and Atom Economic Route to 2-Iminothiazolidines","ACS Sustainable Chemistry & Engineering","2018","6","3","4272","","10.1021/acssuschemeng.7b04723","","","0.71073","MoKα","","0.1041","0.0697","","","0.1275","0.1508","","","","","","0.821","","","","has coordinates","239702","2020-10-21","18:00:00",""
"4517027","16.0134","0.0007","9.3012","0.0003","16.3406","0.0008","90","","114.009","0.006","90","","2223.26","0.19","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H26 N2 O2 S2 -","- C24 H26 N2 O2 S2 -","- C96 H104 N8 O8 S8 -","4","1","","Janković, Nenad; Stefanović, Srđan; Petronijević, Jelena; Joksimović, Nenad; Novaković, Slađana B.; Bogdanović, Goran A.; Muškinja, Jovana; Vraneš, Milan; Ratković, Zoran; Bugarčić, Zorica","Water-Tuned Tautomer-Selective Tandem Synthesis of the 5,6-Dihydropyrimidin-4(3H)-ones, Driven under the Umbrella of Sustainable Chemistry","ACS Sustainable Chemistry & Engineering","2018","6","10","13358","","10.1021/acssuschemeng.8b03127","","x-ray","0.71073","MoKα","","0.0702","0.046","","","0.1019","0.1147","","","","","","1.022","","","","has coordinates","239703","2020-10-21","18:00:00",""
"4517028","10.1382","0.0006","11.3042","0.0006","13.3643","0.0013","101.411","0.006","93.392","0.006","97.289","0.005","1483.59","0.19","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H15 Cl N2 O S -","- C14 H15 Cl N2 O S -","- C56 H60 Cl4 N8 O4 S4 -","4","2","","Janković, Nenad; Stefanović, Srđan; Petronijević, Jelena; Joksimović, Nenad; Novaković, Slađana B.; Bogdanović, Goran A.; Muškinja, Jovana; Vraneš, Milan; Ratković, Zoran; Bugarčić, Zorica","Water-Tuned Tautomer-Selective Tandem Synthesis of the 5,6-Dihydropyrimidin-4(3H)-ones, Driven under the Umbrella of Sustainable Chemistry","ACS Sustainable Chemistry & Engineering","2018","6","10","13358","","10.1021/acssuschemeng.8b03127","","x-ray","0.71073","MoKα","","0.0984","0.0598","","","0.1414","0.1661","","","","","","1.018","","","","has coordinates","239704","2020-10-21","18:00:00",""
"4517029","26.0519","0.0012","9.2061","0.0003","28.816","0.0015","90","","113.376","0.006","90","","6343.9","0.6","293","2","293","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C15 H18 N2 O S2 -","- C15 H18 N2 O S2 -","- C240 H288 N32 O16 S32 -","16","2","","Janković, Nenad; Stefanović, Srđan; Petronijević, Jelena; Joksimović, Nenad; Novaković, Slađana B.; Bogdanović, Goran A.; Muškinja, Jovana; Vraneš, Milan; Ratković, Zoran; Bugarčić, Zorica","Water-Tuned Tautomer-Selective Tandem Synthesis of the 5,6-Dihydropyrimidin-4(3H)-ones, Driven under the Umbrella of Sustainable Chemistry","ACS Sustainable Chemistry & Engineering","2018","6","10","13358","","10.1021/acssuschemeng.8b03127","","x-ray","0.71073","MoKα","","0.1007","0.0649","","","0.1451","0.1622","","","","","","1.071","","","","has coordinates,has disorder","239705","2020-10-21","18:00:00",""
"4517030","6.184","0.005","9.994","0.005","16.72","0.005","77.369","0.005","85.008","0.005","80.707","0.005","993.7","1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H26 N2 O3 S -","- C19 H26 N2 O3 S -","- C38 H52 N4 O6 S2 -","2","1","","Janković, Nenad; Stefanović, Srđan; Petronijević, Jelena; Joksimović, Nenad; Novaković, Slađana B.; Bogdanović, Goran A.; Muškinja, Jovana; Vraneš, Milan; Ratković, Zoran; Bugarčić, Zorica","Water-Tuned Tautomer-Selective Tandem Synthesis of the 5,6-Dihydropyrimidin-4(3H)-ones, Driven under the Umbrella of Sustainable Chemistry","ACS Sustainable Chemistry & Engineering","2018","6","10","13358","","10.1021/acssuschemeng.8b03127","","x-ray","0.71073","MoKα","","0.0746","0.0526","","","0.128","0.1442","","","","","","1.034","","","","has coordinates","239706","2020-10-21","18:00:00",""
"4517031","24.9132","0.0013","10.5411","0.0005","10.4984","0.0004","90","","101.545","0.005","90","","2701.2","0.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H13 Cl N2 O S -","- C13 H13 Cl N2 O S -","- C104 H104 Cl8 N16 O8 S8 -","8","2","","Janković, Nenad; Stefanović, Srđan; Petronijević, Jelena; Joksimović, Nenad; Novaković, Slađana B.; Bogdanović, Goran A.; Muškinja, Jovana; Vraneš, Milan; Ratković, Zoran; Bugarčić, Zorica","Water-Tuned Tautomer-Selective Tandem Synthesis of the 5,6-Dihydropyrimidin-4(3H)-ones, Driven under the Umbrella of Sustainable Chemistry","ACS Sustainable Chemistry & Engineering","2018","6","10","13358","","10.1021/acssuschemeng.8b03127","","","0.71073","MoKα","","0.1037","0.0854","","","0.2111","0.221","","","","","","1.084","","","","has coordinates,has disorder","239707","2020-10-21","18:00:00",""
"4517032","25.82","0.0006","11.60111","0.00024","8.0841","0.00018","90","","96.0474","0.0021","90","","2408.04","0.09","298","","298","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C8 Ce F4 O6 -","- C8 Ce F4 O6 -","- C64 Ce8 F32 O48 -","8","1","","D’Amato, Roberto; Donnadio, Anna; Carta, Mariolino; Sangregorio, Claudio; Tiana, Davide; Vivani, Riccardo; Taddei, Marco; Costantino, Ferdinando","Water-Based Synthesis and Enhanced CO2 Capture Performance of Perfluorinated Cerium-Based Metal‒Organic Frameworks with UiO-66 and MIL-140 Topology","ACS Sustainable Chemistry & Engineering","2018","7","1","394","","10.1021/acssuschemeng.8b03765","powder diffraction","x-ray","1.5405","CuKα","","","","","","","","0.12809","","2.6","","","","","","","has coordinates","239708","2020-10-21","18:00:00",""
"4517033","21.54155","0.00063","21.54155","0.00063","21.54155","0.00063","90","","90","","90","","9996.1","0.5","398","","398","","","","","","","","","4","F m -3 m","-F 4 2 3","225","","","","- C24 Ce3 F12 O16 -","- C24 Ce3 F12 O16 -","- C192 Ce24 F96 O128 -","8","0.0416667","","D’Amato, Roberto; Donnadio, Anna; Carta, Mariolino; Sangregorio, Claudio; Tiana, Davide; Vivani, Riccardo; Taddei, Marco; Costantino, Ferdinando","Water-Based Synthesis and Enhanced CO2 Capture Performance of Perfluorinated Cerium-Based Metal‒Organic Frameworks with UiO-66 and MIL-140 Topology","ACS Sustainable Chemistry & Engineering","2018","7","1","394","","10.1021/acssuschemeng.8b03765","powder diffraction","","1.5405","CuKα","","","","","","","","0.08997","","1.845","","","","","","","has coordinates","239708","2020-10-21","18:00:00",""
"4517140","8.252","0.005","8.511","0.005","11.23","0.007","92.512","0.004","110.205","0.008","113.719","0.004","662.1","0.7","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","'(E)-2-((4-(dimethylamino)phenyl)diazenyl)benzoic acid'","","- C15 H15 N3 O2 -","- C15 H15 N3 O2 -","- C30 H30 N6 O4 -","2","1","","Zhang, Lei; Cole, Jacqueline M.; Waddell, Paul G.; Low, Kian S.; Liu, Xiaogang","Relating Electron Donor and Carboxylic Acid Anchoring Substitution Effects in Azo Dyes to Dye-Sensitized Solar Cell Performance","ACS Sustainable Chemistry & Engineering","2013","1","11","1440","","10.1021/sc400183t","","","0.71073","MoKα","","0.0598","0.0473","","","","0.1392","","","","","","1.035","","","","has coordinates","243730","2020-10-21","18:00:00",""
"4517141","10.529","0.004","17.052","0.006","8.348","0.003","90","","92.743","0.004","90","","1497.1","0.9","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","'(E)-2-((4-(diethylamino)phenyl)diazenyl)benzoic acid'","","- C17 H19 N3 O2 -","- C17 H19 N3 O2 -","- C68 H76 N12 O8 -","4","1","","Zhang, Lei; Cole, Jacqueline M.; Waddell, Paul G.; Low, Kian S.; Liu, Xiaogang","Relating Electron Donor and Carboxylic Acid Anchoring Substitution Effects in Azo Dyes to Dye-Sensitized Solar Cell Performance","ACS Sustainable Chemistry & Engineering","2013","1","11","1440","","10.1021/sc400183t","","","0.71073","MoKα","","0.0644","0.0536","","","","0.1345","","","","","","1.096","","","","has coordinates","243730","2020-10-21","18:00:00",""
"4517142","10.214","0.006","13.482","0.008","12.661","0.007","90","","98.953","0.001","90","","1722.2","1.7","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","'(E)-2-((4-(dipropylamino)phenyl)diazenyl)benzoic acid'","","- C19 H23 N3 O2 -","- C19 H23 N3 O2 -","- C76 H92 N12 O8 -","4","1","","Zhang, Lei; Cole, Jacqueline M.; Waddell, Paul G.; Low, Kian S.; Liu, Xiaogang","Relating Electron Donor and Carboxylic Acid Anchoring Substitution Effects in Azo Dyes to Dye-Sensitized Solar Cell Performance","ACS Sustainable Chemistry & Engineering","2013","1","11","1440","","10.1021/sc400183t","","","0.71073","MoKα","","0.0932","0.069","","","","0.1487","","","","","","1.124","","","","has coordinates","243730","2020-10-21","18:00:00",""
"4517143","16.072","0.004","7.325","0.0019","14.97","0.004","90","","91.207","0.004","90","","1762","0.8","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","'(E)-4-((4-(dimethylamino)phenyl)diazenyl)benzoic acid pyridine solvate'","","- C20 H20 N4 O2 -","- C20 H20 N4 O2 -","- C80 H80 N16 O8 -","4","1","","Zhang, Lei; Cole, Jacqueline M.; Waddell, Paul G.; Low, Kian S.; Liu, Xiaogang","Relating Electron Donor and Carboxylic Acid Anchoring Substitution Effects in Azo Dyes to Dye-Sensitized Solar Cell Performance","ACS Sustainable Chemistry & Engineering","2013","1","11","1440","","10.1021/sc400183t","","","0.71073","MoKα","","0.064","0.0591","","","","0.1586","","","","","","1.096","","","","has coordinates","243730","2020-10-21","18:00:00",""
"4517144","12.241","0.005","8.264","0.003","15.473","0.006","90","","100.65","0.005","90","","1538.3","1","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","'(E)-4-((4-(diethylamino)phenyl)diazenyl)benzoic acid'","","- C17 H19 N3 O2 -","- C17 H19 N3 O2 -","- C68 H76 N12 O8 -","4","1","","Zhang, Lei; Cole, Jacqueline M.; Waddell, Paul G.; Low, Kian S.; Liu, Xiaogang","Relating Electron Donor and Carboxylic Acid Anchoring Substitution Effects in Azo Dyes to Dye-Sensitized Solar Cell Performance","ACS Sustainable Chemistry & Engineering","2013","1","11","1440","","10.1021/sc400183t","","","0.71073","MoKα","","0.074","0.063","","","","0.1668","","","","","","1.063","","","","has coordinates","243730","2020-10-21","18:00:00",""
"4517145","7.921","0.005","14.169","0.01","14.875","0.011","110.092","0.008","103.584","0.009","90.916","0.005","1515.4","1.8","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","'(E)-4-((4-(diethylamino)phenyl)diazenyl)benzoic acid'","","- C17 H19 N3 O2 -","- C17 H19 N3 O2 -","- C68 H76 N12 O8 -","4","2","","Zhang, Lei; Cole, Jacqueline M.; Waddell, Paul G.; Low, Kian S.; Liu, Xiaogang","Relating Electron Donor and Carboxylic Acid Anchoring Substitution Effects in Azo Dyes to Dye-Sensitized Solar Cell Performance","ACS Sustainable Chemistry & Engineering","2013","1","11","1440","","10.1021/sc400183t","","","0.71073","MoKα","","0.0816","0.0686","","","","0.1818","","","","","","1.085","","","","has coordinates","243730","2020-10-21","18:00:00",""
"4517151","7.3993","0.0004","11.5801","0.0006","7.7694","0.0004","90","","103.973","0.003","90","","646.02","0.06","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C13 H18 O6 -","- C13 H18 O6 -","- C26 H36 O12 -","2","1","","de la Cruz-Martínez, Felipe; Martínez de Sarasa Buchaca, Marc; Martínez, Javier; Fernández-Baeza, Juan; Sánchez-Barba, Luis F.; Rodríguez-Diéguez, Antonio; Castro-Osma, José A.; Lara-Sánchez, Agustín","Synthesis of Bio-Derived Cyclic Carbonates from Renewable Resources","ACS Sustainable Chemistry & Engineering","2019","","","","","10.1021/acssuschemeng.9b06016","","","0.71069","MoKα","","0.0837","0.0773","","","0.1938","0.2014","","","","","","1.037","","","","has coordinates","243791","2020-10-21","18:00:00",""
"4517152","9.512","0.003","11.725","0.003","17.418","0.005","98.197","0.003","104.309","0.003","97.372","0.003","1835.8","0.9","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H49 Al N6 O -","- C34 H49 Al N6 O -","- C68 H98 Al2 N12 O2 -","2","1","","de la Cruz-Martínez, Felipe; Martínez de Sarasa Buchaca, Marc; Martínez, Javier; Fernández-Baeza, Juan; Sánchez-Barba, Luis F.; Rodríguez-Diéguez, Antonio; Castro-Osma, José A.; Lara-Sánchez, Agustín","Synthesis of Bio-Derived Cyclic Carbonates from Renewable Resources","ACS Sustainable Chemistry & Engineering","2019","","","","","10.1021/acssuschemeng.9b06016","","","0.71069","MoKα","","0.1662","0.1146","","","0.2744","0.3031","","","","","","1.094","","","","has coordinates","243792","2020-10-21","18:00:00",""
"4517153","7.743","0.005","5.358","0.005","25.066","0.005","90","","90","","90","","1039.9","1.2","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C11 H14 O4 -","- C11 H14 O4 -","- C44 H56 O16 -","4","1","","de la Cruz-Martínez, Felipe; Martínez de Sarasa Buchaca, Marc; Martínez, Javier; Fernández-Baeza, Juan; Sánchez-Barba, Luis F.; Rodríguez-Diéguez, Antonio; Castro-Osma, José A.; Lara-Sánchez, Agustín","Synthesis of Bio-Derived Cyclic Carbonates from Renewable Resources","ACS Sustainable Chemistry & Engineering","2019","","","","","10.1021/acssuschemeng.9b06016","","","0.71069","MoKα","","0.0354","0.032","","","0.0801","0.0817","","","","","","1.079","","","","has coordinates","243793","2020-10-21","18:00:00",""
"4517197","32.917","0.01","10.637","0.003","22.889","0.008","90","","133.331","0.008","90","","5830","3","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C29 H16 Cl2 N2 O6 S -","- C29 H16 Cl2 N2 O6 S -","- C232 H128 Cl16 N16 O48 S8 -","8","1","","Mukherjee, Sayan; Pramanik, Animesh","Catalyst-Free One-Pot Three-Component Synthesis of 4-Hydroxy-3-pyrazolylcoumarins in Ethanol at Room Temperature: Enolisable Aroylhydrazones as Efficient Ambident Nucleophile","ACS Sustainable Chemistry & Engineering","2019","","","","","10.1021/acssuschemeng.9b05682","","","0.71073","MoKα","","0.2384","0.1638","","","0.4236","0.4497","","","","","","2.451","","","","has coordinates","245194","2020-10-21","18:00:00",""
"4517198","10.124","0.014","10.747","0.015","23.73","0.03","90.35","0.02","90.15","0.02","90.37","0.02","2582","6","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H20 N2 O4 S -","- C30 H20 N2 O4 S -","- C120 H80 N8 O16 S4 -","4","2","","Mukherjee, Sayan; Pramanik, Animesh","Catalyst-Free One-Pot Three-Component Synthesis of 4-Hydroxy-3-pyrazolylcoumarins in Ethanol at Room Temperature: Enolisable Aroylhydrazones as Efficient Ambident Nucleophile","ACS Sustainable Chemistry & Engineering","2019","","","","","10.1021/acssuschemeng.9b05682","","","0.71073","MoKα","","0.1899","0.1503","","","0.3953","0.4207","","","","","","2.447","","","","has coordinates","245195","2020-10-21","18:00:00",""
"4517485","13.8158","0.0012","18.9639","0.0019","18.5497","0.0018","90","","92.904","0.009","90","","4853.8","0.8","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C62 H44 Co N4 O6 -","- C62 H44 Co N4 O6 -","- C248 H176 Co4 N16 O24 -","4","0.5","","Xu, Dandan; Wu, Shijie; Xu, Xinxin; Wang, Qiang","Hybrid Zn Battery with Coordination-Polymer-Derived, Oxygen-Vacancy-Rich Co3O4 as a Cathode Material","ACS Sustainable Chemistry & Engineering","2020","","","","","10.1021/acssuschemeng.9b06715","","x-ray","0.71073","MoKα","","0.1925","0.0817","","","0.1369","0.1759","","","","","","1.02","","","","has coordinates","249233","2020-10-21","18:00:00",""
"4517486","17.261","0.002","14.564","0.002","14.563","0.003","90","","120.954","0.002","90","","3139.6","0.9","296","2","296","2","","","","","","","","9","C 1 2/m 1","-C 2y","12","","","","- C16 H16 Cl Cu12 Mo12 N24 O47 P V3 -","- C16 H16 Cl Cu12 Mo12 N24 O47 P V3 -","- C32 H32 Cl2 Cu24 Mo24 N48 O94 P2 V6 -","2","0.25","","Yang, Xiya; Sha, Jingquan; Li, Wenjing; Tan, Zenglong; Hou, Liran; Jiang, Jianzhuang","Ternary Cross-Vanadium Tetra-Capped POMOFs@PPy/RGO Nanocomposites with Hybrid Battery-Supercapacitor Behavior for Enhancing Lithium Battery Storage","ACS Sustainable Chemistry & Engineering","2020","8","11","4667","4675","10.1021/acssuschemeng.0c01162","","","0.71073","MoKα","","0.071","0.0642","","","0.1966","0.2029","","","","","","1.064","","","","has coordinates","257094","2020-10-21","18:00:00",""
"4517487","14.5374","0.0008","14.5374","0.0008","29.782","0.003","90","","90","","90","","6294","0.8","296","2","296","2","","","","","","","","9","P 41 21 2","P 4abw 2nw","92","","","","- C16 H16 Cl Cu12 Mo12 N24 O42 P V2 -","- C16 H16 Cl Cu12 Mo12 N24 O42 P V2 -","- C64 H64 Cl4 Cu48 Mo48 N96 O168 P4 V8 -","4","0.5","","Yang, Xiya; Sha, Jingquan; Li, Wenjing; Tan, Zenglong; Hou, Liran; Jiang, Jianzhuang","Ternary Cross-Vanadium Tetra-Capped POMOFs@PPy/RGO Nanocomposites with Hybrid Battery-Supercapacitor Behavior for Enhancing Lithium Battery Storage","ACS Sustainable Chemistry & Engineering","2020","8","11","4667","4675","10.1021/acssuschemeng.0c01162","","","0.71073","MoKα","","0.108","0.0947","","","0.2358","0.245","","","","","","1.116","","","","has coordinates","257094","2020-10-21","18:00:00",""
"4517756","9.7398","0.0004","8.1494","0.0003","21.0519","0.0009","90","","90.893","0.002","90","","1670.76","0.12","100","2","100.01","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H20 O6 -","- C18 H20 O6 -","- C72 H80 O24 -","4","1","","Wang, Zhihan; Scheuring, Mark; Mabin, Micah; Shahni, Rahul; Wang, Zijun D.; Ugrinov, Angel; Butz, Jonathan; Chu, Qianli R.","Renewable Cyclobutane-1,3-dicarboxylic Acid (CBDA) Building Block Synthesized from Furfural via Photocyclization","ACS Sustainable Chemistry & Engineering","2020","","","","","10.1021/acssuschemeng.0c00708","","","0.71073","MoKα","","0.0426","0.0369","","","0.1015","0.1126","","","","","","1.111","","","","has coordinates","253009","2020-10-21","18:00:00",""
"4517757","8.2085","0.0005","8.3297","0.0005","10.3384","0.0006","73.144","0.004","68.207","0.004","86.546","0.004","627.27","0.07","100","2","99.99","","","","","","","","","3","P -1","-P 1","2","","","","- C14 H12 O6 -","- C14 H12 O6 -","- C28 H24 O12 -","2","1","","Wang, Zhihan; Scheuring, Mark; Mabin, Micah; Shahni, Rahul; Wang, Zijun D.; Ugrinov, Angel; Butz, Jonathan; Chu, Qianli R.","Renewable Cyclobutane-1,3-dicarboxylic Acid (CBDA) Building Block Synthesized from Furfural via Photocyclization","ACS Sustainable Chemistry & Engineering","2020","","","","","10.1021/acssuschemeng.0c00708","","","0.71073","MoKα","","0.0493","0.0433","","","0.1189","0.1247","","","","","","1.084","","","","has coordinates","253009","2020-10-21","18:00:00",""
"4517768","8.50945","0.00004","11.48583","0.00006","28.11292","0.00013","90","","90","","90","","2747.7","0.02","100.01","0.1","100.01","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C30 H45 Br N2 O2 -","- C30 H45 Br N2 O2 -","- C120 H180 Br4 N8 O8 -","4","1","","Pernak, Juliusz; Rzemieniecki, Tomasz; Klejdysz, Tomasz; Qu, Fengrui; Rogers, Robin D.","Conversion of Quinine Derivatives into Biologically Active Ionic Liquids: Advantages, Multifunctionality, and Perspectives","ACS Sustainable Chemistry & Engineering","2020","8","25","9263","9267","10.1021/acssuschemeng.0c03501","","x-ray","1.54184","CuKα","","0.0186","0.0186","","","0.0476","0.0477","","","","","","1.057","","","","has coordinates","257093","2020-10-21","18:00:00",""
"4517769","8.25467","0.00002","13.60583","0.00004","22.29025","0.00007","90","","90","","90","","2503.45","0.012","100","0.1","100","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H37 Br N2 O3 -","- C25 H37 Br N2 O3 -","- C100 H148 Br4 N8 O12 -","4","1","","Pernak, Juliusz; Rzemieniecki, Tomasz; Klejdysz, Tomasz; Qu, Fengrui; Rogers, Robin D.","Conversion of Quinine Derivatives into Biologically Active Ionic Liquids: Advantages, Multifunctionality, and Perspectives","ACS Sustainable Chemistry & Engineering","2020","8","25","9263","9267","10.1021/acssuschemeng.0c03501","","x-ray","1.54184","CuKα","","0.0166","0.0166","","","0.044","0.044","","","","","","1.062","","","","has coordinates","257093","2020-10-21","18:00:00",""
"4517960","7.6889","0.0007","9.7991","0.0011","11.4575","0.0012","98.579","0.009","100.505","0.008","112.749","0.009","759.44","0.15","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C20 H18 N2 -","- C20 H18 N2 -","- C40 H36 N4 -","2","1","","Kumar, Inder; Gupta, Shiv Shankar; Kumar, Rakesh; Kumar, Rohit; Agrawal, Prakhar; Sahal, Dinkar; Sharma, Upendra","Photocatalytic Unsymmetrical Coupling of 2-Substituted Quinolines: Synthesis and Evaluation of the Antiplasmodial Potential of β-Norbenzomorphan Frameworks","ACS Sustainable Chemistry & Engineering","2020","","","","","10.1021/acssuschemeng.0c03415","","x-ray","1.54184","CuKα","","0.0654","0.0486","","","0.1305","0.1495","","","","","","1.021","","","","has coordinates","255408","2020-10-21","18:00:00",""
"4517985","7.3175","0.001","11.8808","0.001","40.778","0.007","90","","90","","90","","3545.1","0.8","300","","300","","","","","","","","","3","P b c a","-P 2ac 2ab","61","avobenzone_form_2","1-(4-Methoxyphenyl)-3-(4-tert-butylphenyl)propane-1,3-dione","","- C20 H22 O3 -","- C20 H22 O3 -","- C160 H176 O24 -","8","1","","d’Agostino, Simone; Azzali, Alessandra; Casali, Lucia; Taddei, Paola; Grepioni, Fabrizia","Environmentally Friendly Sunscreens: Mechanochemical Synthesis and Characterization of β-CD Inclusion Complexes of Avobenzone and Octinoxate with Improved Photostability","ACS Sustainable Chemistry & Engineering","2020","","","","","10.1021/acssuschemeng.0c02735","","x-ray","0.71073","MoKα","","0.2632","0.0761","","","0.0928","0.1399","","","","","","0.96","","","","has coordinates,has disorder","255631","2020-10-21","18:00:00",""
"4518049","15.7093","0.0004","11.6599","0.0003","14.4112","0.0004","90","","111.737","0.003","90","","2451.98","0.12","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H56 Cl8 N8 Pt2 S4 -","- C32 H56 Cl8 N8 Pt2 S4 -","- C64 H112 Cl16 N16 Pt4 S8 -","2","0.5","","Wang, Qi; Wang, Ning; Liu, Wenhui; Yan, Yan; Su, Hongmei; Wang, Min; Zhang, Guanju; Yang, Yanzhao","ESP‒ALIE Analysis as a Theoretical Tool for Identifying the Coordination Atoms of Possible Multisite Extractants: Validation and Prediction","ACS Sustainable Chemistry & Engineering","2020","8","38","14353","14364","10.1021/acssuschemeng.0c03934","","x-ray","1.54184","CuKα","","0.0539","0.0395","","","0.1286","0.1789","","","","","","1.197","","","","has coordinates","257095","2020-10-21","18:00:00",""
"4518067","15.1068","0.0014","15.5306","0.0014","23.406","0.002","81.311","0.003","86.361","0.003","61.117","0.003","4752.9","0.8","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C91 H140 Cl2 N8 Nd2 O6 -","- C91 H140 Cl2 N8 Nd2 O6 -","- C182 H280 Cl4 N16 Nd4 O12 -","2","1","","Cole, Bren E.; Cheisson, Thibault; Nelson, Joshua J. M.; Higgins, Robert F.; Gau, Michael R.; Carroll, Patrick J.; Schelter, Eric J.","Understanding Molecular Factors That Determine Performance in the Rare Earth (TriNOx) Separations System","ACS Sustainable Chemistry & Engineering","2020","","","","","10.1021/acssuschemeng.0c03974","","","0.71073","MoKα","","0.0799","0.052","","","0.0922","0.1013","","","","","","1.036","","","","has coordinates,has disorder","256625","2020-10-21","18:00:00",""
"4518068","11.4186","0.0004","19.3718","0.0008","28.121","0.001","90","","94.83","0.002","90","","6198.2","0.4","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C48.75 H72.75 Cl11.25 Dy N4 O3 -","- C48.75 H72.75 Cl11.25 Dy N4 O3 -","- C195 H291 Cl45 Dy4 N16 O12 -","4","1","","Cole, Bren E.; Cheisson, Thibault; Nelson, Joshua J. M.; Higgins, Robert F.; Gau, Michael R.; Carroll, Patrick J.; Schelter, Eric J.","Understanding Molecular Factors That Determine Performance in the Rare Earth (TriNOx) Separations System","ACS Sustainable Chemistry & Engineering","2020","","","","","10.1021/acssuschemeng.0c03974","","","0.71073","MoKα","","0.1298","0.0647","","","0.1392","0.1652","","","","","","1.029","","","","has coordinates,has disorder","256625","2020-10-21","18:00:00",""
"4518069","37.0064","0.0018","16.7595","0.0008","7.0881","0.0003","90","","90","","90","","4396.1","0.4","100","","100","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C44 H66 N4 Nd O3 -","- C45 H66 N4 Nd O3 -","- C180 H264 N16 Nd4 O12 -","4","0.5","","Cole, Bren E.; Cheisson, Thibault; Nelson, Joshua J. M.; Higgins, Robert F.; Gau, Michael R.; Carroll, Patrick J.; Schelter, Eric J.","Understanding Molecular Factors That Determine Performance in the Rare Earth (TriNOx) Separations System","ACS Sustainable Chemistry & Engineering","2020","","","","","10.1021/acssuschemeng.0c03974","","","0.71073","MoKα","","0.0767","0.0689","","","0.1562","0.1597","","","","","","1.199","","","","has coordinates,has disorder","256625","2020-10-21","18:00:00",""
"4518070","9.3851","0.0019","11.778","0.003","14.503","0.003","102.267","0.007","92.88","0.007","94.271","0.006","1558.6","0.6","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C39 H30 Br3 N -","- C39 H30 Br3 N -","- C78 H60 Br6 N2 -","2","1","","Cole, Bren E.; Cheisson, Thibault; Nelson, Joshua J. M.; Higgins, Robert F.; Gau, Michael R.; Carroll, Patrick J.; Schelter, Eric J.","Understanding Molecular Factors That Determine Performance in the Rare Earth (TriNOx) Separations System","ACS Sustainable Chemistry & Engineering","2020","","","","","10.1021/acssuschemeng.0c03974","","","0.71073","MoKα","","0.0558","0.0374","","","0.0911","0.0997","","","","","","1.035","","","","has coordinates","256625","2020-10-21","18:00:00",""
"4518071","24.47","0.002","7.2574","0.0007","24.738","0.002","90","","96.321","0.005","90","","4366.5","0.7","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C45 H72 N4 O3 -","- C45 H72 N4 O3 -","- C180 H288 N16 O12 -","4","1","","Cole, Bren E.; Cheisson, Thibault; Nelson, Joshua J. M.; Higgins, Robert F.; Gau, Michael R.; Carroll, Patrick J.; Schelter, Eric J.","Understanding Molecular Factors That Determine Performance in the Rare Earth (TriNOx) Separations System","ACS Sustainable Chemistry & Engineering","2020","","","","","10.1021/acssuschemeng.0c03974","","","0.71073","MoKα","","0.0812","0.0623","","","0.1706","0.1847","","","","","","1.032","","","","has coordinates","256625","2020-10-21","18:00:00",""
"4518072","8.7367","0.0003","10.4571","0.0003","15.233","0.0005","73.626","0.002","80.35","0.002","76.316","0.002","1289.72","0.07","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H15 Br3 F9 N -","- C24 H15 Br3 F9 N -","- C48 H30 Br6 F18 N2 -","2","1","","Cole, Bren E.; Cheisson, Thibault; Nelson, Joshua J. M.; Higgins, Robert F.; Gau, Michael R.; Carroll, Patrick J.; Schelter, Eric J.","Understanding Molecular Factors That Determine Performance in the Rare Earth (TriNOx) Separations System","ACS Sustainable Chemistry & Engineering","2020","","","","","10.1021/acssuschemeng.0c03974","","","0.71073","MoKα","","0.0435","0.0381","","","0.1011","0.1043","","","","","","1.043","","","","has coordinates,has disorder","256625","2020-10-21","18:00:00",""
"4518073","13.7629","0.0016","13.7728","0.0017","15.5782","0.0018","66.403","0.006","77.303","0.006","75.695","0.006","2597.7","0.5","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C57 H69 N7 O3 -","- C57 H69 N7 O3 -","- C114 H138 N14 O6 -","2","1","","Cole, Bren E.; Cheisson, Thibault; Nelson, Joshua J. M.; Higgins, Robert F.; Gau, Michael R.; Carroll, Patrick J.; Schelter, Eric J.","Understanding Molecular Factors That Determine Performance in the Rare Earth (TriNOx) Separations System","ACS Sustainable Chemistry & Engineering","2020","","","","","10.1021/acssuschemeng.0c03974","","","0.71073","MoKα","","0.0495","0.0403","","","0.1119","0.1194","","","","","","1.049","","","","has coordinates","256625","2020-10-21","18:00:00",""
"4518074","14.5635","0.0017","14.5635","0.0017","12.1646","0.0014","90","","90","","120","","2234.4","0.4","100","","100","","","","","","","","","6","P 3 1 c","P 3 -2c","159","","","","- C40 H50 Dy F9 N4 O4 -","- C40.0002 H49.9998 Dy F9 N4 O4 -","- C80.0004 H99.9996 Dy2 F18 N8 O8 -","2","0.333333","","Cole, Bren E.; Cheisson, Thibault; Nelson, Joshua J. M.; Higgins, Robert F.; Gau, Michael R.; Carroll, Patrick J.; Schelter, Eric J.","Understanding Molecular Factors That Determine Performance in the Rare Earth (TriNOx) Separations System","ACS Sustainable Chemistry & Engineering","2020","","","","","10.1021/acssuschemeng.0c03974","","","0.71073","MoKα","","0.0397","0.0342","","","0.0885","0.0915","","","","","","1.076","","","","has coordinates,has disorder","288221","2023-12-11","22:20:44",""
"4518075","15.494","0.0017","15.494","0.0017","54.709","0.006","90","","90","","120","","11374","2","100","","100","","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C36 H45 F9 N4 O3 -","- C36 H45 F9 N4 O3 -","- C432 H540 F108 N48 O36 -","12","0.333333","","Cole, Bren E.; Cheisson, Thibault; Nelson, Joshua J. M.; Higgins, Robert F.; Gau, Michael R.; Carroll, Patrick J.; Schelter, Eric J.","Understanding Molecular Factors That Determine Performance in the Rare Earth (TriNOx) Separations System","ACS Sustainable Chemistry & Engineering","2020","","","","","10.1021/acssuschemeng.0c03974","","","0.71073","MoKα","","0.0634","0.0554","","","0.1486","0.1548","","","","","","1.079","","","","has coordinates,has disorder","256625","2020-10-21","18:00:00",""
"4518076","9.8699","0.0008","14.7597","0.0012","22.1202","0.0018","103.709","0.003","100.401","0.003","105.739","0.003","2908.1","0.4","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C63.25 H82 N4 Nd O5.75 -","- C63.25 H82 N4 Nd O5.75 -","- C126.5 H164 N8 Nd2 O11.5 -","2","1","","Cole, Bren E.; Cheisson, Thibault; Nelson, Joshua J. M.; Higgins, Robert F.; Gau, Michael R.; Carroll, Patrick J.; Schelter, Eric J.","Understanding Molecular Factors That Determine Performance in the Rare Earth (TriNOx) Separations System","ACS Sustainable Chemistry & Engineering","2020","","","","","10.1021/acssuschemeng.0c03974","","","0.71073","MoKα","","0.0436","0.0355","","","0.084","0.0914","","","","","","1.117","","","","has coordinates,has disorder","256625","2020-10-21","18:00:00",""
"4518077","14.5759","0.0013","14.5759","0.0013","12.1484","0.0011","90","","90","","120","","2235.2","0.3","100","","100","","","","","","","","","6","P 3 1 c","P 3 -2c","159","","","","- C40 H50 F9 N4 Nd O4 -","- C39.9996 H49.9992 F9 N4 Nd O4 -","- C79.9992 H99.9984 F18 N8 Nd2 O8 -","2","0.333333","","Cole, Bren E.; Cheisson, Thibault; Nelson, Joshua J. M.; Higgins, Robert F.; Gau, Michael R.; Carroll, Patrick J.; Schelter, Eric J.","Understanding Molecular Factors That Determine Performance in the Rare Earth (TriNOx) Separations System","ACS Sustainable Chemistry & Engineering","2020","","","","","10.1021/acssuschemeng.0c03974","","","0.71073","MoKα","","0.023","0.0196","","","0.0474","0.0486","","","","","","1.055","","","","has coordinates,has disorder","256625","2020-10-21","18:00:00",""
"4518123","12.2209","0.0008","14.4974","0.0009","14.8694","0.001","111.642","0.001","103.266","0.001","101.58","0.001","2261.7","0.3","296","","296","","","","","","","","","7","P -1","-P 1","2","","","","- C48 H60 Cu2 N30 O46 Si W12 -","- C48 H60 Cu2 N30 O46 Si W12 -","- C48 H60 Cu2 N30 O46 Si W12 -","1","0.5","","Wang, Xiu-Li; Tian, Yuan; Chang, Zhi-Han; Lin, Hongyan","A Series of Polyoxometalate-Based Metal‒Bis(pyridyl-tetrazole) Complexes with High Electrocatalytic Activity for Hydrogen Evolution Reaction in Alkaline and Acid Media","ACS Sustainable Chemistry & Engineering","2020","","","","","10.1021/acssuschemeng.0c05459","","x-ray","0.71073","MoKα","","0.085","0.0688","","","0.1488","0.1569","","","","","","1.118","","","","has coordinates","258184","2020-10-21","18:00:00",""
"4518124","12.2804","0.0011","12.5014","0.0011","14.7202","0.0014","67.243","0.002","66.628","0.002","87.759","0.002","1895.4","0.3","296.15","","296.15","","","","","","","","","7","P -1","-P 1","2","","","","- C34 H60 Cu2 N20 O52 Si W12 -","- C34 H60 Cu2 N20 O52 Si W12 -","- C34 H60 Cu2 N20 O52 Si W12 -","1","0.5","","Wang, Xiu-Li; Tian, Yuan; Chang, Zhi-Han; Lin, Hongyan","A Series of Polyoxometalate-Based Metal‒Bis(pyridyl-tetrazole) Complexes with High Electrocatalytic Activity for Hydrogen Evolution Reaction in Alkaline and Acid Media","ACS Sustainable Chemistry & Engineering","2020","","","","","10.1021/acssuschemeng.0c05459","","x-ray","0.71073","MoKα","K-L~3~","0.0745","0.0592","","","0.1265","0.134","","","","","","1.161","","","","has coordinates,has disorder","258184","2020-10-21","18:00:00",""
"4518125","12.358","0.005","13.96","0.005","15.641","0.005","110.467","0.005","104.354","0.005","96.738","0.005","2386.4","1.5","296","","296","","","","","","","","","7","P -1","-P 1","2","","","","- C54 H72 Cu2 N30 O46 Si W12 -","- C54 H60 Cu2 N30 O46 Si W12 -","- C54 H60 Cu2 N30 O46 Si W12 -","1","0.5","","Wang, Xiu-Li; Tian, Yuan; Chang, Zhi-Han; Lin, Hongyan","A Series of Polyoxometalate-Based Metal‒Bis(pyridyl-tetrazole) Complexes with High Electrocatalytic Activity for Hydrogen Evolution Reaction in Alkaline and Acid Media","ACS Sustainable Chemistry & Engineering","2020","","","","","10.1021/acssuschemeng.0c05459","","x-ray","0.71069","MoKα","","0.0776","0.0527","","","0.1262","0.1408","","","","","","1.021","","","","has coordinates,has disorder","258184","2020-10-21","18:00:00",""
"4518408","17.095","0.0003","14.339","0.0002","38.364","0.0006","90","","106.233","0.001","90","","9029.1","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C164 H312 N16 O19 Zn8 -","- C164 H312 N16 O19 Zn8 -","- C328 H624 N32 O38 Zn16 -","2","0.5","","Krupiński, Piotr; Grala, Agnieszka; Wolska-Pietkiewicz, Małgorzata; Danowski, Wojciech; Justyniak, Iwona; Lewiński, Janusz","From Uncommon Ethylzinc Complexes Supported by Ureate Ligands to Water-Soluble ZnO Nanocrystals: A Mechanochemical Approach","ACS Sustainable Chemistry & Engineering","2021","9","4","1540","1549","10.1021/acssuschemeng.0c06081","","","0.71073","MoKα","","0.0754","0.0579","","","0.1435","0.1523","","","","","","1.033","","","","has coordinates,has disorder","261497","2021-02-04","03:29:47",""
"4518427","7.2567","0.0018","10.516","0.004","11.444","0.004","90","","105.095","0.014","90","","843.2","0.5","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H11 Au Cl4 N2 O4 -","- C12 H11 Au Cl4 N2 O4 -","- C24 H22 Au2 Cl8 N4 O8 -","2","0.5","","Nag, Abhijit; Islam, Md Rabiul; Pradeep, Thalappil","Selective Extraction of Gold by Niacin","ACS Sustainable Chemistry & Engineering","2021","","","","","10.1021/acssuschemeng.0c07409","","","0.71073","MoKα","","0.0354","0.0271","","","0.0644","0.071","","","","","","1.278","","","","has coordinates","261273","2021-01-27","23:01:38",""
"4518428","6.997","0.0006","7.1062","0.0004","8.7084","0.0005","68.407","0.005","68.867","0.007","62.662","0.007","347.9","0.05","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H16 Co Cu N2 O8 -","- C12 H16 Cu N2 O8 -","- C12 H16 Cu N2 O8 -","1","0.5","","Nag, Abhijit; Islam, Md Rabiul; Pradeep, Thalappil","Selective Extraction of Gold by Niacin","ACS Sustainable Chemistry & Engineering","2021","","","","","10.1021/acssuschemeng.0c07409","","x-ray","0.71073","MoKα","","0.0306","0.03","","","0.0734","0.0739","","","","","","1.092","","","","has coordinates","261274","2021-01-27","23:02:02",""
"4518484","7.272","0.002","11.453","0.004","12.792","0.004","105.317","0.011","97.72","0.011","94.62","0.01","1010.7","0.6","304","2","304","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H45 N8 O30 Zn3.5 -","- C26 H45 N8 O30 Zn3.5 -","- C26 H45 N8 O30 Zn3.5 -","1","0.5","","Li, Yixing; Zhang, Xiao; Lan, Jianwen; Li, Dazhi; Wang, Zhijiang; Xu, Ping; Sun, Jianmin","A High-Performance Zinc-Organic Framework with Accessible Open Metal Sites Catalyzes CO2 and Styrene Oxide into Styrene Carbonate under Mild Conditions","ACS Sustainable Chemistry & Engineering","2021","9","7","2795","2803","10.1021/acssuschemeng.0c08466","","","0.71073","MoKα","","0.0636","0.0625","","","0.1759","0.1765","","","","","","1.068","","","","has coordinates,has disorder","262444","2021-03-04","02:53:01",""
"4518547","7.9105","0.0008","10.1433","0.0014","12.1778","0.0013","68.787","0.005","73.015","0.004","71.871","0.005","847.74","0.17","170","2","169.96","","","","","","","","","4","P -1","-P 1","2","","","","- C20 H27 N O2 -","- C20 H27 N O2 -","- C40 H54 N2 O4 -","2","1","","Zhou, Kun; Hao, Hong-Yan; Mao, Yang-Jie; Wu, Qiu-Zi; Chen, Lei; Wang, Shuang; Jin, Wu; Xu, Zhen-Yuan; Lou, Shao-Jie; Xu, Dan-Qian","Solvent-less Dehydrogenative C‒H Etherification with Alcohols Using Mechanochemistry","ACS Sustainable Chemistry & Engineering","2021","9","12","4433","4439","10.1021/acssuschemeng.0c08201","","","1.34139","GaKα","","0.0509","0.0452","","","0.1212","0.1275","","","","","","1.051","","","","has coordinates","263591","2021-04-04","10:00:09",""
"4518570","8.0272","0.0006","10.3866","0.0008","21.6398","0.0015","90","","95.314","0.003","90","","1796.5","0.2","295","2","295","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H14 N4 O6 V2 Zn -","- C14 H14 N4 O6 V2 Zn -","- C56 H56 N16 O24 V8 Zn4 -","4","1","","Tian, Hongrui; Liu, Shumei; Zhang, Zhong; Dang, Tianyi; Lu, Ying; Liu, Shuxia","Highly Stable Polyoxovanadate-Based Zn‒MOF with Dual Active Sites as a Solvent-free Catalyst for C‒C Bond Formation","ACS Sustainable Chemistry & Engineering","2021","9","12","4660","4667","10.1021/acssuschemeng.1c00389","","","0.71073","MoKα","","0.0595","0.0351","","","0.0705","0.0793","","","","","","1.061","","","","has coordinates","263590","2021-04-04","10:00:02",""
"4518575","22.8691","0.0011","11.8858","0.0004","19.9571","0.001","90","","115.033","0.006","90","","4915.1","0.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C192 H192 Cl8 N24 O8 Ru8 -","- C192 H192 Cl8 N24 O8 Ru8 -","- C192 H192 Cl8 N24 O8 Ru8 -","1","0.25","","Ghosh, Rahul; Jana, Narayan Ch.; Panda, Surajit; Bagh, Bidraha","Transfer Hydrogenation of Aldehydes and Ketones in Air with Methanol and Ethanol by an Air-Stable Ruthenium‒Triazole Complex","ACS Sustainable Chemistry & Engineering","2021","","","","","10.1021/acssuschemeng.1c00633","","x-ray","0.71073","MoKα","","0.0469","0.0406","","","0.1091","0.1123","","","","","","1.072","","","","has coordinates","263218","2021-03-22","22:57:55",""
"4518716","7.3124","0.0012","8.0674","0.0014","11.1844","0.0017","90.429","0.013","96.849","0.014","93.54","0.014","653.76","0.19","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H8 Br N O2 S2 -","- C12 H8 Br N O2 S2 -","- C24 H16 Br2 N2 O4 S4 -","2","1","","Sobczak, Szymon; Ratajczyk, Paulina; Katrusiak, Andrzej","Squeezing Out the Catalysts: A Sustainable Approach to Disulfide Bond Exchange in Aryl Disulfides","ACS Sustainable Chemistry & Engineering","2021","9","20","7171","7178","10.1021/acssuschemeng.1c02240","","x-ray","1.54184","CuKα","","0.1533","0.0859","","","0.2208","0.2932","","","","","","1.013","","","","has coordinates","265752","2021-06-04","00:58:59",""
"4518717","7.5012","0.0013","7.6684","0.0014","12.37","0.002","77.306","0.015","82.115","0.015","74.588","0.015","666.8","0.2","299.5","0.2","299.5","0.2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H8 Br N O2 S2 -","- C12 H8 Br N O2 S2 -","- C24 H16 Br2 N2 O4 S4 -","2","1","","Sobczak, Szymon; Ratajczyk, Paulina; Katrusiak, Andrzej","Squeezing Out the Catalysts: A Sustainable Approach to Disulfide Bond Exchange in Aryl Disulfides","ACS Sustainable Chemistry & Engineering","2021","9","20","7171","7178","10.1021/acssuschemeng.1c02240","","x-ray","1.54184","CuKα","","0.0651","0.0473","","","0.105","0.1169","","","","","","1.145","","","","has coordinates,has disorder","265752","2021-06-04","00:58:59",""
"4518718","7.4862","0.0008","7.6173","0.0007","12.26","0.0009","77.313","0.007","81.768","0.008","74.085","0.009","653.34","0.11","299.8","0.2","299.8","0.2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H8 Cl N O2 S2 -","- C12 H8 Cl N O2 S2 -","- C24 H16 Cl2 N2 O4 S4 -","2","1","","Sobczak, Szymon; Ratajczyk, Paulina; Katrusiak, Andrzej","Squeezing Out the Catalysts: A Sustainable Approach to Disulfide Bond Exchange in Aryl Disulfides","ACS Sustainable Chemistry & Engineering","2021","9","20","7171","7178","10.1021/acssuschemeng.1c02240","","x-ray","1.54184","CuKα","","0.0433","0.0393","","","0.1005","0.1035","","","","","","1.078","","","","has coordinates,has disorder","265752","2021-06-04","00:58:59",""
"4518719","6.637","0.0005","24.4347","0.0018","7.9539","0.0009","90","","93.577","0.008","90","","1287.4","0.2","299.4","0.4","299.4","0.4","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H11 N O2 S2 -","- C13 H11 N O2 S2 -","- C52 H44 N4 O8 S8 -","4","1","","Sobczak, Szymon; Ratajczyk, Paulina; Katrusiak, Andrzej","Squeezing Out the Catalysts: A Sustainable Approach to Disulfide Bond Exchange in Aryl Disulfides","ACS Sustainable Chemistry & Engineering","2021","9","20","7171","7178","10.1021/acssuschemeng.1c02240","","x-ray","1.54184","CuKα","","0.0538","0.0352","","","0.0663","0.0749","","","","","","1.102","","","","has coordinates","265752","2021-06-04","00:58:59",""
"4518720","5.4415","0.0011","7.9266","0.0009","30.427","0.005","90","","94.695","0.019","90","","1308","0.4","299.1","0.3","299.1","0.3","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H9 Cl O2 S2 -","- C13 H9 Cl O2 S2 -","- C52 H36 Cl4 O8 S8 -","4","1","","Sobczak, Szymon; Ratajczyk, Paulina; Katrusiak, Andrzej","Squeezing Out the Catalysts: A Sustainable Approach to Disulfide Bond Exchange in Aryl Disulfides","ACS Sustainable Chemistry & Engineering","2021","9","20","7171","7178","10.1021/acssuschemeng.1c02240","","x-ray","1.54184","CuKα","","0.1121","0.0966","","","0.2322","0.2589","","","","","","1.061","","","","has coordinates","265752","2021-06-04","00:58:59",""
"4518721","5.4811","0.0003","7.9282","0.0003","30.7236","0.0013","90","","95.134","0.005","90","","1329.75","0.11","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H9 Br O2 S2 -","- C13 H9 Br O2 S2 -","- C52 H36 Br4 O8 S8 -","4","1","","Sobczak, Szymon; Ratajczyk, Paulina; Katrusiak, Andrzej","Squeezing Out the Catalysts: A Sustainable Approach to Disulfide Bond Exchange in Aryl Disulfides","ACS Sustainable Chemistry & Engineering","2021","9","20","7171","7178","10.1021/acssuschemeng.1c02240","","x-ray","1.54184","CuKα","","0.0499","0.0443","","","0.1248","0.1304","","","","","","1.09","","","","has coordinates","265752","2021-06-04","00:58:59",""
"4518722","5.9037","0.0002","12.98","0.0004","17.9041","0.0006","90","","90","","90","","1371.99","0.08","299.4","0.3","299.4","0.3","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H14 O2 S2 -","- C14 H14 O2 S2 -","- C56 H56 O8 S8 -","4","1","","Sobczak, Szymon; Ratajczyk, Paulina; Katrusiak, Andrzej","Squeezing Out the Catalysts: A Sustainable Approach to Disulfide Bond Exchange in Aryl Disulfides","ACS Sustainable Chemistry & Engineering","2021","9","20","7171","7178","10.1021/acssuschemeng.1c02240","","x-ray","1.54184","CuKα","","0.0292","0.0281","","","0.0744","0.0757","","","","","","1.037","","","","has coordinates","265752","2021-06-04","00:58:59",""
"4518723","5.7416","0.0003","13.0516","0.001","14.497","0.0008","90","","90","","90","","1086.36","0.12","100","0.2","100","0.2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H8 F2 S2 -","- C12 H8 F2 S2 -","- C48 H32 F8 S8 -","4","1","","Sobczak, Szymon; Ratajczyk, Paulina; Katrusiak, Andrzej","Squeezing Out the Catalysts: A Sustainable Approach to Disulfide Bond Exchange in Aryl Disulfides","ACS Sustainable Chemistry & Engineering","2021","9","20","7171","7178","10.1021/acssuschemeng.1c02240","","x-ray","1.54184","CuKα","","0.0779","0.0609","","","0.1362","0.1578","","","","","","1.193","","","","has coordinates","265752","2021-06-04","00:58:59",""
"4518724","7.7242","0.0008","28.033","0.004","5.9565","0.0005","90","","90","","90","","1289.8","0.3","293","","293","","","","","","","","","4","C c c 2","C 2 -2c","37","","","","- C12 H8 Br2 S2 -","- C12 H8 Br2 S2 -","- C48 H32 Br8 S8 -","4","0.5","","Sobczak, Szymon; Ratajczyk, Paulina; Katrusiak, Andrzej","Squeezing Out the Catalysts: A Sustainable Approach to Disulfide Bond Exchange in Aryl Disulfides","ACS Sustainable Chemistry & Engineering","2021","9","20","7171","7178","10.1021/acssuschemeng.1c02240","","x-ray","0.71","MoKα","","0.093","0.0535","","","0.0993","0.1186","","","","","","0.983","","","","has coordinates","265752","2021-06-04","00:58:59",""
"4519018","8.6254","0.0003","8.9016","0.0003","10.8499","0.0003","80.225","0.003","85.954","0.003","77.248","0.003","800.24","0.05","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C19 H15 F N O2 P -","- C19 H15 F N O2 P -","- C38 H30 F2 N2 O4 P2 -","2","1","","Huke, Cameron D.; Taylor, Laurence J.; Argent, Stephen P.; Kays, Deborah L.","Catalyst-free Hydrophosphinylation of Isocyanates and Isothiocyanates under Low-Added-Solvent Conditions","ACS Sustainable Chemistry & Engineering","2021","9","32","10704","10709","10.1021/acssuschemeng.1c02907","","x-ray","1.54184","CuKα","","0.0297","0.0277","","","0.0699","0.0714","","","","","","1.038","","","","has coordinates","268443","2021-09-03","21:23:48",""
"4519019","11.1796","0.0004","12.4375","0.0006","14.5087","0.0007","102.974","0.004","93.417","0.004","104.758","0.004","1886.37","0.16","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H20 N O4 P -","- C21 H20 N O4 P -","- C84 H80 N4 O16 P4 -","4","2","","Huke, Cameron D.; Taylor, Laurence J.; Argent, Stephen P.; Kays, Deborah L.","Catalyst-free Hydrophosphinylation of Isocyanates and Isothiocyanates under Low-Added-Solvent Conditions","ACS Sustainable Chemistry & Engineering","2021","9","32","10704","10709","10.1021/acssuschemeng.1c02907","","x-ray","1.54184","CuKα","","0.0369","0.0318","","","0.0798","0.083","","","","","","1.01","","","","has coordinates","268443","2021-09-03","21:23:49",""
"4519020","8.7838","0.0004","8.7951","0.0004","20.4442","0.0008","90.45","0.003","93.891","0.003","117.301","0.004","1398.88","0.12","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H16 N O2 P -","- C15 H16 N O2 P -","- C60 H64 N4 O8 P4 -","4","2","","Huke, Cameron D.; Taylor, Laurence J.; Argent, Stephen P.; Kays, Deborah L.","Catalyst-free Hydrophosphinylation of Isocyanates and Isothiocyanates under Low-Added-Solvent Conditions","ACS Sustainable Chemistry & Engineering","2021","9","32","10704","10709","10.1021/acssuschemeng.1c02907","","x-ray","1.54184","CuKα","","0.0404","0.0356","","","0.1038","0.1059","","","","","","1.058","","","","has coordinates","268443","2021-09-03","21:23:49",""
"4519021","13.2516","0.0002","14.607","0.0002","17.427","0.0003","108.164","0.001","109.21","0.001","94.747","0.001","2961.45","0.09","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H18 N O2 P -","- C16 H18 N O2 P -","- C128 H144 N8 O16 P8 -","8","4","","Huke, Cameron D.; Taylor, Laurence J.; Argent, Stephen P.; Kays, Deborah L.","Catalyst-free Hydrophosphinylation of Isocyanates and Isothiocyanates under Low-Added-Solvent Conditions","ACS Sustainable Chemistry & Engineering","2021","9","32","10704","10709","10.1021/acssuschemeng.1c02907","","x-ray","1.54184","CuKα","","0.0302","0.0281","","","0.0762","0.0779","","","","","","1.034","","","","has coordinates,has disorder","268443","2021-09-03","21:23:49",""
"4519022","8.7408","0.0002","10.399","0.0003","11.263","0.0003","82.043","0.002","85.124","0.002","82.282","0.002","1002.41","0.05","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C47.01 H44.01 N2 O4 P2 -","- C47.014 H44.014 N2 O4 P2 -","- C47.014 H44.014 N2 O4 P2 -","1","0.5","","Huke, Cameron D.; Taylor, Laurence J.; Argent, Stephen P.; Kays, Deborah L.","Catalyst-free Hydrophosphinylation of Isocyanates and Isothiocyanates under Low-Added-Solvent Conditions","ACS Sustainable Chemistry & Engineering","2021","9","32","10704","10709","10.1021/acssuschemeng.1c02907","","x-ray","1.54184","CuKα","","0.0366","0.0352","","","0.0898","0.0905","","","","","","1.049","","","","has coordinates,has disorder","268443","2021-09-03","21:23:50",""
"4519023","8.4872","0.0003","11.6741","0.0005","16.8354","0.0006","108.405","0.004","96.291","0.003","90.405","0.003","1571.67","0.11","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H16 N O3 P -","- C18 H16 N O3 P -","- C72 H64 N4 O12 P4 -","4","2","","Huke, Cameron D.; Taylor, Laurence J.; Argent, Stephen P.; Kays, Deborah L.","Catalyst-free Hydrophosphinylation of Isocyanates and Isothiocyanates under Low-Added-Solvent Conditions","ACS Sustainable Chemistry & Engineering","2021","9","32","10704","10709","10.1021/acssuschemeng.1c02907","","x-ray","1.54184","CuKα","","0.06","0.0388","","","0.0852","0.0953","","","","","","1.025","","","","has coordinates,has disorder","268443","2021-09-03","21:23:50",""
"4519024","12.1934","0.0001","10.7695","0.0001","13.8808","0.0001","90","","105.735","0.001","90","","1754.48","0.03","120","2","120","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C19 H15 Cl N O P S -","- C19 H15 Cl N O P S -","- C76 H60 Cl4 N4 O4 P4 S4 -","4","1","","Huke, Cameron D.; Taylor, Laurence J.; Argent, Stephen P.; Kays, Deborah L.","Catalyst-free Hydrophosphinylation of Isocyanates and Isothiocyanates under Low-Added-Solvent Conditions","ACS Sustainable Chemistry & Engineering","2021","9","32","10704","10709","10.1021/acssuschemeng.1c02907","","x-ray","1.54184","CuKα","","0.0287","0.0278","","","0.0725","0.0732","","","","","","1.06","","","","has coordinates","268443","2021-09-03","21:23:50",""
"4519025","12.1983","0.0001","10.781","0.0001","13.9142","0.0001","90","","104.72","0.001","90","","1769.8","0.03","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H18 N O2 P S -","- C20 H18 N O2 P S -","- C80 H72 N4 O8 P4 S4 -","4","1","","Huke, Cameron D.; Taylor, Laurence J.; Argent, Stephen P.; Kays, Deborah L.","Catalyst-free Hydrophosphinylation of Isocyanates and Isothiocyanates under Low-Added-Solvent Conditions","ACS Sustainable Chemistry & Engineering","2021","9","32","10704","10709","10.1021/acssuschemeng.1c02907","","x-ray","1.54184","CuKα","","0.0257","0.0254","","","0.0664","0.0666","","","","","","1.03","","","","has coordinates","268443","2021-09-03","21:23:50",""
"4519026","18.8671","0.0001","11.7269","0.0001","16.0554","0.0001","90","","95.579","0.001","90","","3535.47","0.04","120","2","120","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C19 H15 N2 O3 P S -","- C19 H15 N2 O3 P S -","- C152 H120 N16 O24 P8 S8 -","8","1","","Huke, Cameron D.; Taylor, Laurence J.; Argent, Stephen P.; Kays, Deborah L.","Catalyst-free Hydrophosphinylation of Isocyanates and Isothiocyanates under Low-Added-Solvent Conditions","ACS Sustainable Chemistry & Engineering","2021","9","32","10704","10709","10.1021/acssuschemeng.1c02907","","x-ray","1.54184","CuKα","","0.027","0.0269","","","0.0735","0.0736","","","","","","1.071","","","","has coordinates","268443","2021-09-03","21:23:50",""
"4519027","9.0779","0.0001","16.1069","0.0002","10.5344","0.0001","90","","102.06","0.001","90","","1506.31","0.03","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H16 N O P S -","- C16 H16 N O P S -","- C64 H64 N4 O4 P4 S4 -","4","1","","Huke, Cameron D.; Taylor, Laurence J.; Argent, Stephen P.; Kays, Deborah L.","Catalyst-free Hydrophosphinylation of Isocyanates and Isothiocyanates under Low-Added-Solvent Conditions","ACS Sustainable Chemistry & Engineering","2021","9","32","10704","10709","10.1021/acssuschemeng.1c02907","","x-ray","1.54184","CuKα","","0.0257","0.0246","","","0.0638","0.0646","","","","","","1.052","","","","has coordinates","268443","2021-09-03","21:23:50",""
"4519080","17.223","0.004","8.252","0.002","15.149","0.004","90","","99.137","0.004","90","","2125.7","0.9","130","2","130","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H33 B F4 N2 O2 -","- C18 H33 B F4 N2 O2 -","- C72 H132 B4 F16 N8 O8 -","4","1","","del Río, Enrique; Vidil, Thomas; Gati, Wafa; Grau, Étienne; Taton, Daniel; Cramail, Henri","Ester-Containing Imidazolium-Type Ionic Liquid Crystals Derived from Bio-based Fatty Alcohols","ACS Sustainable Chemistry & Engineering","2021","9","37","12687","12698","10.1021/acssuschemeng.1c05122","","","1.54178","CuKα","","0.0824","0.0702","","","0.1801","0.189","","","","","","0.955","","","","has coordinates","269502","2021-10-03","21:17:00",""
"4519192","12.4443","0.001","12.4258","0.0011","18.7974","0.0017","90","","108.271","0.003","90","","2760.1","0.4","150","2","150","2","","","","","","","","7","P 1 2/c 1","-P 2yc","13","","","","- C40 H70 Mo24 N8 O96 P2 Zn8 -","- C40 H32 Mo24 N8 O96 P2 Zn8 -","- C40 H32 Mo24 N8 O96 P2 Zn8 -","1","0.25","","Chen, Yanhong; Chang, Shenzhen; An, Haiyan; Li, Yanqin; Zhu, Qingshan; Luo, Huiyun; Huang, Yaohui","Two Polymorphic Polyoxometalate-Based Metal–Organic Frameworks for the Efficient Synthesis of Functionalized Sulfoxides and Detoxification of Mustard Gas Simulants","ACS Sustainable Chemistry & Engineering","2021","9","46","15683","15693","10.1021/acssuschemeng.1c06433","","","0.71073","MoKα","","0.1033","0.0499","","","0.1009","0.1171","","","","","","1.011","","","","has coordinates","271058","2021-12-03","22:39:13",""
"4519193","12.398","0.003","12.41","0.003","18.721","0.004","90","","109.145","0.009","90","","2721.1","1.1","150","2","150","2","","","","","","","","7","P 1 2/n 1","-P 2yac","13","","","","- C40 H70 Mo24 N8 O96 P2 Zn8 -","- C40 H32 Mo24 N8 O96 P2 Zn8 -","- C40 H32 Mo24 N8 O96 P2 Zn8 -","1","0.25","","Chen, Yanhong; Chang, Shenzhen; An, Haiyan; Li, Yanqin; Zhu, Qingshan; Luo, Huiyun; Huang, Yaohui","Two Polymorphic Polyoxometalate-Based Metal–Organic Frameworks for the Efficient Synthesis of Functionalized Sulfoxides and Detoxification of Mustard Gas Simulants","ACS Sustainable Chemistry & Engineering","2021","9","46","15683","15693","10.1021/acssuschemeng.1c06433","","","0.71073","MoKα","","0.1049","0.0815","","","0.1907","0.1999","","","","","","1.071","","","","has coordinates","271058","2021-12-03","22:39:14",""
"4519267","31.3976","0.0009","6.9692","0.0002","19.2078","0.0005","90","","125.086","0.002","90","","3439.25","0.19","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H15 Cl N2 O -","- C22 H15 Cl N2 O -","- C176 H120 Cl8 N16 O8 -","8","1","","Cai, Chen; Lu, Yi; Yuan, Chengcheng; Fang, Zheng; Yang, Xiaobing; Liu, Chengkou; Guo, Kai","Organocatalytic Electrosynthesis of Cinnolines through Cascade Radical Cyclization and Migration","ACS Sustainable Chemistry & Engineering","2021","9","50","16989","16996","10.1021/acssuschemeng.1c05810","","","1.54178","CuKα","","0.0655","0.0543","","","0.1459","0.1602","","","","","","1.007","","","","has coordinates","271762","2022-01-03","22:40:18",""
"4519268","11.1841","0.0005","11.7671","0.0004","12.2739","0.0006","90","","105.7","0.005","90","","1555.04","0.12","113.15","","113.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H20 F2 N2 O -","- C19 H20 F2 N2 O -","- C76 H80 F8 N8 O4 -","4","1","","Niu, Kaikai; Zhou, Pan; Ding, Ling; Hao, Yanke; Liu, Yuxiu; Song, Hongjian; Wang, Qingmin","Photoelectrochemical Decarboxylative C–H Alkylation of Quinoxalin-2(1H)-ones","ACS Sustainable Chemistry & Engineering","2021","9","49","16820","16828","10.1021/acssuschemeng.1c06702","","x-ray","0.71073","MoKα","","0.082","0.0533","","","0.1263","0.1501","","","","","","1.04","","","","has coordinates","271764","2022-01-03","22:40:42",""
"4519426","8.6432","0.0004","11.0448","0.0005","11.1069","0.0004","62.407","0.004","72.632","0.004","84.054","0.004","896.1","0.08","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H15 N O4 -","- C25 H15 N O4 -","- C50 H30 N2 O8 -","2","1","","Cai, Chen; Lu, Yi; Yuan, Chengcheng; Fang, Zheng; Yang, Xiaobing; Liu, Chengkou; Guo, Kai","Metal-Free C–C Cross Coupling: Electrosynthesis of Azaheterocycles through Anodic Oxidation Cyclization of 1,6-Enynes","ACS Sustainable Chemistry & Engineering","2022","10","10","3288","3294","10.1021/acssuschemeng.1c07933","","","1.54178","CuKα","","0.0437","0.0417","","","0.1292","0.132","","","","","","1.008","","","","has coordinates","274277","2022-04-03","21:04:16",""