# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-07-04T18:41:07+02:00
# 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 volume = 7 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",""
"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",""