# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-10-18T14:15:23+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 omega') AND volume = 6 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
"4518477","6.03","0.03","30.28","0.16","11.18","0.06","90","","104.36","0.05","90","","1978","18","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H16 Cl F2 N3 O4 -","- C21 H16 Cl F2 N3 O4 -","- C84 H64 Cl4 F8 N12 O16 -","4","1","","Konduri, Srihari; Bhargavi, Dodda; Prashanth, Jyothi; Krishna, Vagolu Siva; Sriram, Dharmarajan; Rao, Koya Prabhakara","Design and Synthesis of ""Chloropicolinate Amides and Urea Derivatives"" as Novel Inhibitors for <i>Mycobacterium tuberculosis</i>.","ACS omega","2021","6","2","1657","1667","10.1021/acsomega.0c05690","","","0.71073","MoKα","","0.1609","0.0739","","","0.1969","0.2447","","","","","","1.027","","","","has coordinates","261420","2021-02-03","21:02:33",""
"4518478","19.05","0.003","10.8747","0.0014","19.747","0.003","90","","90","","90","","4090.8","1","273","2","273","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C20 H14 Cl F3 N4 O3 -","- C20 H14 Cl F3 N4 O3 -","- C160 H112 Cl8 F24 N32 O24 -","8","1","","Konduri, Srihari; Bhargavi, Dodda; Prashanth, Jyothi; Krishna, Vagolu Siva; Sriram, Dharmarajan; Rao, Koya Prabhakara","Design and Synthesis of ""Chloropicolinate Amides and Urea Derivatives"" as Novel Inhibitors for <i>Mycobacterium tuberculosis</i>.","ACS omega","2021","6","2","1657","1667","10.1021/acsomega.0c05690","","","0.71073","MoKα","","0.1055","0.0524","","","0.1091","0.1323","","","","","","1.01","","","","has coordinates","261421","2021-02-03","21:02:57",""
"4518479","11.3899","0.0014","14.5663","0.0015","6.6853","0.0006","90","","90","","90","","1109.1","0.2","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C8 H10 Cu N5 O4 -","- C8 H10 Cu N5 O4 -","- C32 H40 Cu4 N20 O16 -","4","1","","Wang, Ying; Gong, Shuang-Shuang; Liu, Yue; Cheng, Lin; Li, Shuang-Shuang; Zhang, Ying; Cui, Yukun; Liang, Chenlu; Tang, Li; Ren, Peng; Fang, Yu; Day, Gregory S.","SC-SC Anion-Assisted Linker Exchange within a Three-Dimensional Cu(II)-Triazole Framework: A Luminescent Probe for S<sup>2</sup>.","ACS omega","2021","6","2","1266","1272","10.1021/acsomega.0c04676","","","0.71073","MoKα","","0.0604","0.0436","","","0.0948","0.0987","","","","","","1.003","","","","has coordinates","261422","2021-02-03","21:03:20",""
"4518480","12.097","0.0012","7.7388","0.0008","15.2512","0.0015","90","","98.357","0.004","90","","1412.6","0.2","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","(13R,15aS,16S,111R,111aR,2S)-111,34,2-trihydroxy-56-methoxy-12- methyl-11,12,13,14,15a,16-hexahydro-111H-4,7-dioxa-1(3,6)-3,11a- epidithiooxepino[3',4':4,5]pyrrolo[1,2-a]pyrazina-3,5(1,3)- dibenzenacycloheptaphane-11,14,6-trione","","- C29 H30 N2 O12 S2 -","- C29 H30 N2 O12 S2 -","- C58 H60 N4 O24 S4 -","2","1","","Oberhofer, Martina; Wackerlig, Judith; Zehl, Martin; Büyük, Havva; Cao, Jia Jian; Prado-Roller, Alexander; Urban, Ernst; Zotchev, Sergey B.","Endophytic <i>Akanthomyces</i> sp. LN303 from Edelweiss Produces Emestrin and Two New 2-Hydroxy-4 Pyridone Alkaloids.","ACS omega","2021","6","3","2184","2191","10.1021/acsomega.0c05472","","","0.71073","MoKα","","0.1094","0.0609","","","0.1169","0.1403","","","","","","1.031","","","","has coordinates","261423","2021-02-03","21:04:05",""
"4518481","10.7161","0.0004","20.8498","0.001","6.5316","0.0002","90","","90","","90","","1459.35","0.1","297","","297","","","","","","","","","5","P n n a","-P 2a 2bc","52","Potassium Vanadium Phosphate Hydrate","tripotassium trivanadium tetraphosphate monohydrate","","- H2 K3 O17 P4 V3 -","- H2 K3 O17 P4 V3 -","- H8 K12 O68 P16 V12 -","4","0.5","","Jenkins, Tristram; Alarco, Jose A.; Mackinnon, Ian D. R.","Synthesis and Characterization of a Novel Hydrated Layered Vanadium(III) Phosphate Phase K<sub>3</sub>V<sub>3</sub>(PO<sub>4</sub>)<sub>4</sub>·H<sub>2</sub>O: A Functional Cathode Material for Potassium-Ion Batteries.","ACS omega","2021","6","3","1917","1929","10.1021/acsomega.0c04675","powder diffraction","","1.54056","CuKα~1~","","","","","","","","","0.02918","1.08","","","","","","","has coordinates","261424","2021-02-03","21:04:46",""
"4518494","9.13","0.005","10.005","0.005","13.765","0.006","92.986","0.017","101.29","0.02","107.468","0.018","1167.9","1","298","","298","","","","","","","","","6","P -1","-P 1","2","","","","- C26 H23 Au Cl Fe2 P -","- C26 H23 Au Cl Fe2 P -","- C52 H46 Au2 Cl2 Fe4 P2 -","2","1","","Hu, Hao; Ichiryu, Hiroki; Nakajima, Kiyohiko; Ogasawara, Masamichi","Estimating Effective Steric and Electronic Impacts of a Ferrocenyl Group in Organophosphines","ACS Omega","2021","6","8","5981","5989","10.1021/acsomega.1c00307","","","0.71075","MoKα","","0.0462","0.0406","","","0.1011","0.1042","","","","","","1.045","","","","has coordinates","262441","2021-03-04","02:52:24",""
"4518495","10.872","0.005","11.237","0.005","11.91","0.005","65.276","0.018","72.47","0.02","73.215","0.017","1237.8","1","298","","298","","","","","","","","","7","P -1","-P 1","2","","","","- C27 H23 Au Cl Fe2 O2 P -","- C27 H23 Au Cl Fe2 O2 P -","- C54 H46 Au2 Cl2 Fe4 O4 P2 -","2","1","","Hu, Hao; Ichiryu, Hiroki; Nakajima, Kiyohiko; Ogasawara, Masamichi","Estimating Effective Steric and Electronic Impacts of a Ferrocenyl Group in Organophosphines","ACS Omega","2021","6","8","5981","5989","10.1021/acsomega.1c00307","","","0.71075","MoKα","","0.05","0.0454","","","0.1206","0.1225","","","","","","1.111","","","","has coordinates","262441","2021-03-04","02:52:24",""
"4518496","18.102","0.004","14.686","0.004","25.322","0.005","90","","109.296","0.01","90","","6354","3","298","","298","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C31 H28 Au Cl4 Fe3 P -","- C31 H28 Au Cl4 Fe3 P -","- C248 H224 Au8 Cl32 Fe24 P8 -","8","1","","Hu, Hao; Ichiryu, Hiroki; Nakajima, Kiyohiko; Ogasawara, Masamichi","Estimating Effective Steric and Electronic Impacts of a Ferrocenyl Group in Organophosphines","ACS Omega","2021","6","8","5981","5989","10.1021/acsomega.1c00307","","","0.71075","MoKα","","0.0528","0.0427","","","0.1055","0.1102","","","","","","1.071","","","","has coordinates","262441","2021-03-04","02:52:24",""
"4518497","19.1751","0.0019","9.6598","0.001","13.3995","0.0013","90","","120.229","0.0014","90","","2144.5","0.4","100","","100","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C88 H100 N12 O20 -","- C88 H100 N12 O20 -","- C88 H100 N12 O20 -","1","0.25","","Wang, Jingdong; Liu, Yuxin; Wei, Zhonglin; Cao, Jungang; Liang, Dapeng; Lin, Yingjie; Duan, Hai-feng","Novel Chiral Thiourea Derived from Hydroquinine and l-Phenylglycinol: An Effective Catalyst for Enantio- and Diastereoselective Aza-Henry Reaction","ACS Omega","2021","6","8","5812","5824","10.1021/acsomega.0c06233","","","0.71073","MoKα","","0.0496","0.0452","","","0.1031","0.1064","","","","","","1.049","","","","has coordinates","262440","2021-03-04","02:52:10",""
"4518498","15.1676","0.0012","16.5831","0.0013","17.0312","0.0013","106.676","0.002","95.767","0.003","116.781","0.002","3528.7","0.5","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C82 H68 Cl4 N4 O8 -","- C82 H68 Cl4 N4 O8 -","- C164 H136 Cl8 N8 O16 -","2","1","","Wang, Jie; Shi, Dong","Correlation between the Intrinsic Photophysical Properties of the Spirobifluorene-Derived Monomer","ACS Omega","2021","6","8","5972","5980","10.1021/acsomega.1c00262","","","0.71073","MoKα","","0.1552","0.0751","","","0.1813","0.2504","","","","","","1.034","","","","has coordinates,has disorder","262442","2021-03-04","02:52:38",""
"4518499","13.1368","0.001","16.167","0.0012","16.9132","0.0012","75.115","0.002","85.626","0.002","75.727","0.003","3364.1","0.4","140","2","140","2","","","","","","","","5","P -1","-P 1","2","","","","- C168 H141 Cl N8 O16 -","- C168 H141 Cl N8 O16 -","- C168 H141 Cl N8 O16 -","1","0.5","","Wang, Jie; Shi, Dong","Correlation between the Intrinsic Photophysical Properties of the Spirobifluorene-Derived Monomer","ACS Omega","2021","6","8","5972","5980","10.1021/acsomega.1c00262","","","0.71073","MoKα","","0.1187","0.0653","","","0.1298","0.1782","","","","","","1.044","","","","has coordinates,has disorder","262442","2021-03-04","02:52:39",""
"4518500","13.8322","0.0004","14.8314","0.0005","17.2503","0.0006","86.082","0.001","70.408","0.001","80.111","0.001","3284.27","0.19","308","2","308","2","","","","","","","","4","P -1","-P 1","2","","","","- C81 H68 N4 O8 -","- C81 H68 N4 O8 -","- C162 H136 N8 O16 -","2","1","","Wang, Jie; Shi, Dong","Correlation between the Intrinsic Photophysical Properties of the Spirobifluorene-Derived Monomer","ACS Omega","2021","6","8","5972","5980","10.1021/acsomega.1c00262","","","0.71073","MoKα","","0.1305","0.0646","","","0.1702","0.2197","","","","","","1.031","","","","has coordinates","262442","2021-03-04","02:52:39",""
"4518528","8.0424","0.00005","13.88872","0.00007","25.03583","0.00014","90","","90","","90","","2796.47","0.03","100.01","0.1","100.01","0.1","","","","","","","Lindera aggregata","3","P 21 21 21","P 2ac 2ab","19","","Linderaggrenolide A","","- C31 H38 O8 -","- C31 H38 O8 -","- C124 H152 O32 -","4","1","","Liu, Xin; Fu, Jing; Yang, Ji; Huang, Ancheng C.; Li, Run-Feng; Bai, Li-Ping; Liu, Liang; Jiang, Zhi-Hong; Zhu, Guo-Yuan","Linderaggrenolides A‒N, Oxygen-Conjugated Sesquiterpenoid Dimers from the Roots of Lindera aggregata","ACS Omega","2021","6","8","5898","5909","10.1021/acsomega.0c06349","","x-ray","1.54184","CuKα","","0.0311","0.0307","","","0.0787","0.079","","","","","","1.058","","","","has coordinates","262412","2021-03-03","21:08:00",""
"4518529","10.0138","0.0008","12.6312","0.0009","14.498","0.0014","101.619","0.007","100.574","0.007","101.945","0.006","1708.1","0.3","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 Fe2 O8 P S2 -","- C33 Fe2 O8 P S2 -","- C66 Fe4 O16 P2 S4 -","2","1","","Pandey, Indresh Kumar; Agarwal, Tashika; Mobin, Shaikh M.; Stein, Matthias; Kaur-Ghumaan, Sandeep","Switching Site Reactivity in Hydrogenase Model Systems by Introducing a Pendant Amine Ligand.","ACS omega","2021","6","6","4192","4203","10.1021/acsomega.0c04901","","","0.71073","MoKα","","0.104","0.066","","","0.1809","0.214","","","","","","1.033","","","","has coordinates","262413","2021-03-03","21:09:09",""
"4518530","11.3522","0.001","12.0516","0.0015","13.4728","0.0011","67.057","0.009","65.881","0.008","64.689","0.01","1468.2","0.3","150","","150","","","","","","","","","7","P -1","-P 1","2","","","","- C28.5 H18.5 Fe2 N O5 P S2 -","- C28.5 H18.5 Fe2 N O5 P S2 -","- C57 H37 Fe4 N2 O10 P2 S4 -","2","1","","Pandey, Indresh Kumar; Agarwal, Tashika; Mobin, Shaikh M.; Stein, Matthias; Kaur-Ghumaan, Sandeep","Switching Site Reactivity in Hydrogenase Model Systems by Introducing a Pendant Amine Ligand.","ACS omega","2021","6","6","4192","4203","10.1021/acsomega.0c04901","","","0.71073","MoKα","","0.1098","0.0645","","","0.1339","0.1589","","","","","","1.04","","","","has coordinates,has disorder","262414","2021-03-03","21:09:32",""
"4518531","10.1335","0.0003","29.5446","0.0006","16.6587","0.0004","90","","106.065","0.003","90","","4792.7","0.2","170","0.1","170","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C54 H52 Cl4 Co F N3 -","- C54 H52 Cl4 Co F N3 -","- C216 H208 Cl16 Co4 F4 N12 -","4","1","","Bariashir, Chantsalnyam; Zhang, Randi; Vignesh, Arumugam; Ma, Yanping; Liang, Tongling; Sun, Wen-Hua","Enhancing Ethylene Polymerization of <i>NNN</i>-Cobalt(II) Precatalysts Adorned with a Fluoro-substituent.","ACS omega","2021","6","6","4448","4460","10.1021/acsomega.0c05916","","x-ray","0.71073","MoKα","","0.0539","0.0409","","","0.0997","0.1054","","","","","","1.0217","","","","has coordinates","262415","2021-03-03","21:10:24",""
"4518532","21.7565","0.0016","14.1649","0.0009","16.2888","0.001","90","","111.466","0.008","90","","4671.7","0.6","170","0.1","170","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C50 H44 Cl2 Co F N3 -","- C50 H44 Cl2 Co F N3 -","- C200 H176 Cl8 Co4 F4 N12 -","4","1","","Bariashir, Chantsalnyam; Zhang, Randi; Vignesh, Arumugam; Ma, Yanping; Liang, Tongling; Sun, Wen-Hua","Enhancing Ethylene Polymerization of <i>NNN</i>-Cobalt(II) Precatalysts Adorned with a Fluoro-substituent.","ACS omega","2021","6","6","4448","4460","10.1021/acsomega.0c05916","","x-ray","0.71073","MoKα","","0.1094","0.0613","","","0.1525","0.1724","","","","","","0.991","","","","has coordinates","262415","2021-03-03","21:10:24",""
"4518534","38.486","0.006","38.486","0.006","11.122","0.003","90","","90","","120","","14267","5","296","2","296","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C138 H62 O61 Sm8 -","- C138 H62.0004 O61.0002 Sm7.9998 -","- C414 H186.001 O183.001 Sm23.9994 -","3","0.166667","","Zhang, Gang-Qiang; Gao, Lou-Jun; Chai, Hong-Mei; Ren, Yi-Xia","Novel Multifunctional Samarium-Organic Framework for Fluorescence Sensing of Ag<sup>+</sup>, MnO<sub>4</sub><sup>-</sup>, and Cimetidine and Electrochemical Sensing of <i>o</i>-Nitrophenol in Aqueous Solutions.","ACS omega","2021","6","10","6810","6816","10.1021/acsomega.0c05867","","","0.71073","MoKα","","0.0693","0.0661","","","0.1555","0.1574","","","","","","1.127","","","","has coordinates,has disorder","263586","2021-04-04","09:59:08",""
"4518540","12.7695","0.0003","11.3269","0.0002","23.2057","0.0006","90","","104.041","0.003","90","","3256.16","0.13","297","","297","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- Ba9 Cr4 S19 -","- Ba9 Cr4 S19 -","- Ba36 Cr16 S76 -","4","0.5","","Yan, Hong; Matsushita, Yoshitaka; Chikamatsu, Akira; Hasegawa, Tetsuya; Yamaura, Kazunari; Tsujimoto, Yoshihiro","Flux Crystal Growth, Crystal Structure, and Magnetic Properties of a Ternary Chromium Disulfide Ba<sub>9</sub>Cr<sub>4</sub>S<sub>19</sub> with Unusual Cr<sub>4</sub>S<sub>15</sub> Tetramer Units.","ACS omega","2021","6","10","6842","6847","10.1021/acsomega.0c06017","","x-ray","0.71073","MoKα","","0.0362","0.0257","","","0.0411","0.0431","","","","","","1.035","","","","has coordinates","263585","2021-04-04","09:58:54",""
"4518551","7.3043","0.0005","11.8154","0.0008","12.0064","0.0006","67.444","0.006","87.953","0.005","88.503","0.005","956.23","0.11","293","","293","","","","","","","","","4","P 1","P 1","1","-Epicatechin","(2R,3R)-2-(3,4-Dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol","","- C38 H42 N4 O21 -","- C38 H42 N4 O21 -","- C38 H42 N4 O21 -","1","1","","Budziak-Wieczorek, Iwona; Maciołek, Urszula","Synthesis and Characterization of a (−)-Epicatechin and Barbituric Acid Cocrystal: Single-Crystal X-ray Diffraction and Vibrational Spectroscopic Studies","ACS Omega","2021","6","12","8199","8209","10.1021/acsomega.0c06239","","","1.54184","CuKα","","0.067","0.0593","","","0.1554","0.1779","","","","","","1.08","","","","has coordinates","263589","2021-04-04","09:59:46",""
"4518569","32.0854","0.0018","16.6338","0.0007","18.7396","0.0011","90","","106.521","0.002","90","","9588.5","0.9","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Bis(3,5-dimethylpyrazole-1-carbonyl)hydrazine + ethanol-toluene solvents","","- C12 H16 N6 O2 -","- C12 H16 N6 O2 -","- C288 H384 N144 O48 -","24","3","","Glukhacheva, Vera S.; Il’yasov, Sergey G.; Kazantsev, Igor V.; Shestakova, Elena O.; Il’yasov, Dmitri S.; Eltsov, Ilia V.; Nefedov, Andrey A.; Gatilov, Yuri V.","New Reaction Products of Acetylacetone with Semicarbazide Derivatives","ACS Omega","2021","6","12","8637","8645","10.1021/acsomega.1c00518","","","0.71073","MoKα","","0.1097","0.0701","","","0.2211","0.2908","","","","","","1.093","","","","has coordinates","263587","2021-04-04","09:59:28",""
"4518574","7.5864","0.0004","12.9878","0.0007","21.6163","0.0012","90","","90","","90","","2129.9","0.2","296","2","296","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C18 H24 Cl2 N4 O Ru S -","- C18 H24 Cl2 N4 O Ru S -","- C72 H96 Cl8 N16 O4 Ru4 S4 -","4","1","","Karmakar, Jit; Nandy, Promita; Das, Saurabh; Bhattacharya, Debalina; Karmakar, Parimal; Bhattacharya, Samaresh","Utilization of Guanidine-Based Ancillary Ligands in Arene‒Ruthenium Complexes for Selective Cytotoxicity","ACS Omega","2021","6","12","8226","8238","10.1021/acsomega.0c06265","","","0.71073","MoKα","","0.0485","0.0452","","","0.1148","0.1175","","","","","","1.035","","","","has coordinates","263588","2021-04-04","09:59:35",""
"4518681","6.1774","0.0018","22.134","0.007","11.445","0.004","90","","99.446","0.004","90","","1543.7","0.9","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H14 N Nd O8 -","- C12 H14 N Nd O8 -","- C48 H56 N4 Nd4 O32 -","4","1","","Liu, Ming-li; Shi, Quan; Liu, Lei-fang; Li, Wen-bo","Lanthanide-Aromatic Iminodiacetate Frameworks with Helical Tubes: Structure, Properties, and Low-Temperature Heat Capacity","ACS Omega","2021","6","15","10475","10485","10.1021/acsomega.1c01052","","","0.71073","MoKα","","0.0266","0.025","","","0.0654","0.0666","","","","","","0.603","","","","has coordinates","264798","2021-05-03","19:56:11",""
"4518682","5.9855","0.0007","22.116","0.003","6.1152","0.0007","90","","110.656","0.002","90","","757.46","0.16","273","2","273","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C12 H14 Gd N O8 -","- C12 H14 Gd N O8 -","- C24 H28 Gd2 N2 O16 -","2","1","","Liu, Ming-li; Shi, Quan; Liu, Lei-fang; Li, Wen-bo","Lanthanide-Aromatic Iminodiacetate Frameworks with Helical Tubes: Structure, Properties, and Low-Temperature Heat Capacity","ACS Omega","2021","6","15","10475","10485","10.1021/acsomega.1c01052","","","0.71073","MoKα","","0.0691","0.0506","","","0.1167","0.135","","","","","","1.01","","","","has coordinates","264799","2021-05-03","19:56:36",""
"4518683","6.1775","0.0004","22.1665","0.0013","11.4573","0.0008","90","","99.435","0.001","90","","1547.67","0.17","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H14 N O8 Sm -","- C12 H14 N O8 Sm -","- C48 H56 N4 O32 Sm4 -","4","1","","Liu, Ming-li; Shi, Quan; Liu, Lei-fang; Li, Wen-bo","Lanthanide-Aromatic Iminodiacetate Frameworks with Helical Tubes: Structure, Properties, and Low-Temperature Heat Capacity","ACS Omega","2021","6","15","10475","10485","10.1021/acsomega.1c01052","","","0.71073","MoKα","","0.0403","0.0386","","","0.1201","0.1209","","","","","","1.113","","","","has coordinates","264800","2021-05-03","19:56:59",""
"4518684","6.2123","0.0008","22.161","0.003","11.4967","0.0015","90","","99.387","0.002","90","","1561.6","0.4","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H14 N O8 Pr -","- C12 H14 N O8 Pr -","- C48 H56 N4 O32 Pr4 -","4","1","","Liu, Ming-li; Shi, Quan; Liu, Lei-fang; Li, Wen-bo","Lanthanide-Aromatic Iminodiacetate Frameworks with Helical Tubes: Structure, Properties, and Low-Temperature Heat Capacity","ACS Omega","2021","6","15","10475","10485","10.1021/acsomega.1c01052","","","0.71073","MoKα","","0.046","0.0445","","","0.1201","0.1216","","","","","","0.741","","","","has coordinates","264801","2021-05-03","19:57:23",""
"4518685","5.9823","0.0008","22.145","0.003","6.1201","0.0008","90","","110.649","0.001","90","","758.69","0.18","273","2","273","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C12 H14 Eu N O8 -","- C12 H14 Eu N O8 -","- C24 H28 Eu2 N2 O16 -","2","1","","Liu, Ming-li; Shi, Quan; Liu, Lei-fang; Li, Wen-bo","Lanthanide-Aromatic Iminodiacetate Frameworks with Helical Tubes: Structure, Properties, and Low-Temperature Heat Capacity","ACS Omega","2021","6","15","10475","10485","10.1021/acsomega.1c01052","","","0.71073","MoKα","","0.0454","0.0379","","","0.0955","0.1075","","","","","","1.024","","","","has coordinates","264802","2021-05-03","19:57:47",""
"4518699","7.7081","0.0004","15.6681","0.0007","7.7483","0.0004","90","","113.824","0.002","90","","856.04","0.07","103","2","103","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C7 H7 N O6 Zn -","- C7 H7 N O6 Zn -","- C28 H28 N4 O24 Zn4 -","4","1","","Pandey, Rampal; Singh, Durgesh; Thakur, Neha; Raj, Krishna K.","Catalytic C-H Bond Activation and Knoevenagel Condensation Using Pyridine-2,3-Dicarboxylate-Based Metal-Organic Frameworks.","ACS omega","2021","6","20","13240","13259","10.1021/acsomega.1c01155","","","0.71073","MoKα","","0.0374","0.0264","","","0.0538","0.0567","","","","","","1.08","","","","has coordinates","265749","2021-06-04","00:58:13",""
"4518700","7.8597","0.0005","15.9234","0.001","8.0981","0.0005","90","","114.849","0.002","90","","919.67","0.1","130","2","130","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C7 H7 Cd N O6 -","- C7 H7 Cd N O6 -","- C28 H28 Cd4 N4 O24 -","4","1","","Pandey, Rampal; Singh, Durgesh; Thakur, Neha; Raj, Krishna K.","Catalytic C-H Bond Activation and Knoevenagel Condensation Using Pyridine-2,3-Dicarboxylate-Based Metal-Organic Frameworks.","ACS omega","2021","6","20","13240","13259","10.1021/acsomega.1c01155","","","0.71073","MoKα","","0.0249","0.0208","","","0.0462","0.0477","","","","","","1.078","","","","has coordinates","265749","2021-06-04","00:58:14",""
"4518701","21.7641","0.0013","17.4903","0.001","9.3685","0.0005","90","","90","","90","","3566.2","0.4","120","2","120","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C56 H48 Cu4 K4 N12 O32 -","- C56 H44 Cu4 K4 N12 O32 -","- C112 H88 Cu8 K8 N24 O64 -","2","0.25","","Pandey, Rampal; Singh, Durgesh; Thakur, Neha; Raj, Krishna K.","Catalytic C-H Bond Activation and Knoevenagel Condensation Using Pyridine-2,3-Dicarboxylate-Based Metal-Organic Frameworks.","ACS omega","2021","6","20","13240","13259","10.1021/acsomega.1c01155","","","0.71073","MoKα","","0.1638","0.1104","","","0.2224","0.2423","","","","","","1.173","","","","has coordinates,has disorder","265749","2021-06-04","00:58:14",""
"4518727","13.3663","0.0002","10.80081","0.00018","17.0804","0.0003","90","","102.718","0.0017","90","","2405.35","0.07","295","2","295","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H35 N O6 -","- C26 H35 N O6 -","- C104 H140 N4 O24 -","4","1","","Yu, Hongmei; Zhang, Yong; Xing, Cheng; Wang, Ying; Zhang, Hailu; Gong, Ningbo; Lu, Yang; Du, Guanhua","Venlafaxine Caffeic Acid Salt: Synthesis, Structural Characterization, and Hypoglycemic Effect Analysis","ACS Omega","2021","6","21","13895","13903","10.1021/acsomega.1c01581","","","1.54184","CuKα","","0.0532","0.0451","","","0.1161","0.1246","","","","","","1.039","","","","has coordinates","265750","2021-06-04","00:58:22",""
"4518733","24.8417","0.0006","14.2633","0.0004","17.1697","0.0004","90","","128.915","0.001","90","","4733.6","0.2","100.02","","100.02","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H24 Cu N2 O4 -","- C28 H24 Cu N2 O4 -","- C224 H192 Cu8 N16 O32 -","8","1","","Yusuf, Tunde L.; Oladipo, Segun D.; Zamisa, Sizwe; Kumalo, Hezekiel M.; Lawal, Isiaka A.; Lawal, Monsurat M.; Mabuba, Nonhlangabezo","Design of New Schiff-Base Copper(II) Complexes: Synthesis, Crystal Structures, DFT Study, and Binding Potency toward Cytochrome P450 3A4","ACS Omega","2021","6","21","13704","13718","10.1021/acsomega.1c00906","","x-ray","0.71073","MoKα","","0.0291","0.0251","","","0.0698","0.0723","","","","","","1.066","","","","has coordinates","265751","2021-06-04","00:58:32",""
"4518734","12.028","0.0009","14.7995","0.0012","13.5238","0.001","90","","110.518","0.004","90","","2254.6","0.3","100.33","","100.33","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H18 Cl2 Cu N2 O4 -","- C26 H18 Cl2 Cu N2 O4 -","- C104 H72 Cl8 Cu4 N8 O16 -","4","1","","Yusuf, Tunde L.; Oladipo, Segun D.; Zamisa, Sizwe; Kumalo, Hezekiel M.; Lawal, Isiaka A.; Lawal, Monsurat M.; Mabuba, Nonhlangabezo","Design of New Schiff-Base Copper(II) Complexes: Synthesis, Crystal Structures, DFT Study, and Binding Potency toward Cytochrome P450 3A4","ACS Omega","2021","6","21","13704","13718","10.1021/acsomega.1c00906","","x-ray","0.71073","MoKα","","0.112","0.1023","","","0.3183","0.3223","","","","","","1.182","","","","has coordinates","265751","2021-06-04","00:58:33",""
"4518771","26.8708","0.0018","7.3323","0.0007","20.6528","0.0014","90","","95.548","0.006","90","","4050.1","0.5","150","2","150","0.1","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C19 H25 N5 O6 -","- C19 H25 N5 O6 -","- C152 H200 N40 O48 -","8","1","","Zeng, Ziyu; Kociok-Köhn, Gabriele; Woodman, Timothy J.; Rowan, Michael G.; Blagbrough, Ian S.","The <sup>1</sup>H NMR Spectroscopic Effect of Steric Compression Is Found in [3.3.1]Oxa- and Azabicycles and Their Analogues.","ACS omega","2021","6","19","12769","12786","10.1021/acsomega.1c01093","","x-ray","1.54184","CuKα","","0.0744","0.0537","","","0.1391","0.1534","","","","","","1.02","","","","has coordinates","265731","2021-06-03","19:48:47",""
"4518772","8.2535","0.0002","14.1548","0.0004","18.1606","0.0007","100.206","0.003","99.075","0.003","102.165","0.002","1998.79","0.11","150","2","150.01","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C19 H25 N5 O6 -","- C19 H25 N5 O6 -","- C76 H100 N20 O24 -","4","2","","Zeng, Ziyu; Kociok-Köhn, Gabriele; Woodman, Timothy J.; Rowan, Michael G.; Blagbrough, Ian S.","The <sup>1</sup>H NMR Spectroscopic Effect of Steric Compression Is Found in [3.3.1]Oxa- and Azabicycles and Their Analogues.","ACS omega","2021","6","19","12769","12786","10.1021/acsomega.1c01093","","x-ray","1.54184","CuKα","","0.0703","0.0495","","","0.124","0.1369","","","","","","1.046","","","","has coordinates","265732","2021-06-03","19:49:10",""
"4518773","7.7392","0.0004","15.8949","0.0016","17.396","0.002","110.066","0.011","90.729","0.007","90.19","0.007","2009.8","0.4","150","2","149.9","0.4","","","","","","","","4","P -1","-P 1","2","","","","- C18.6 H23.8 N5 O6 -","- C18.6 H23.8 N5 O6 -","- C74.4 H95.2 N20 O24 -","4","2","","Zeng, Ziyu; Kociok-Köhn, Gabriele; Woodman, Timothy J.; Rowan, Michael G.; Blagbrough, Ian S.","The <sup>1</sup>H NMR Spectroscopic Effect of Steric Compression Is Found in [3.3.1]Oxa- and Azabicycles and Their Analogues.","ACS omega","2021","6","19","12769","12786","10.1021/acsomega.1c01093","","x-ray","1.54184","CuKα","","0.1407","0.0621","","","0.1311","0.1536","","","","","","0.786","","","","has coordinates","265733","2021-06-03","19:49:32",""
"4518774","7.7446","0.0001","15.5385","0.0002","36.6455","0.0007","90","","91.337","0.002","90","","4408.7","0.12","150","2","150.01","0.1","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C21 H29 N5 O6 -","- C21 H29 N5 O6 -","- C168 H232 N40 O48 -","8","1","","Zeng, Ziyu; Kociok-Köhn, Gabriele; Woodman, Timothy J.; Rowan, Michael G.; Blagbrough, Ian S.","The <sup>1</sup>H NMR Spectroscopic Effect of Steric Compression Is Found in [3.3.1]Oxa- and Azabicycles and Their Analogues.","ACS omega","2021","6","19","12769","12786","10.1021/acsomega.1c01093","","x-ray","1.54184","CuKα","","0.0509","0.047","","","0.1337","0.1367","","","","","","1.076","","","","has coordinates,has disorder","265734","2021-06-03","19:49:56",""
"4518775","5.9795","0.0002","10.4226","0.0005","8.2748","0.0003","90","","95.08","0.004","90","","513.68","0.04","150","2","150.01","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C10 H18 O4 -","- C10 H18 O4 -","- C20 H36 O8 -","2","1","","Zeng, Ziyu; Kociok-Köhn, Gabriele; Woodman, Timothy J.; Rowan, Michael G.; Blagbrough, Ian S.","The <sup>1</sup>H NMR Spectroscopic Effect of Steric Compression Is Found in [3.3.1]Oxa- and Azabicycles and Their Analogues.","ACS omega","2021","6","19","12769","12786","10.1021/acsomega.1c01093","","x-ray","1.54184","CuKα","","0.0306","0.0297","","","0.0764","0.0773","","","","","","1.052","","","","has coordinates","265735","2021-06-03","19:50:17",""
"4518776","14.0556","0.0003","8.4265","0.0002","23.4225","0.0006","90","","90","","90","","2774.15","0.11","150","2","150","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C13 H22 Cl N O3 -","- C13 H22 Cl N O3 -","- C104 H176 Cl8 N8 O24 -","8","1","","Zeng, Ziyu; Kociok-Köhn, Gabriele; Woodman, Timothy J.; Rowan, Michael G.; Blagbrough, Ian S.","The <sup>1</sup>H NMR Spectroscopic Effect of Steric Compression Is Found in [3.3.1]Oxa- and Azabicycles and Their Analogues.","ACS omega","2021","6","19","12769","12786","10.1021/acsomega.1c01093","","x-ray","1.54184","CuKα","","0.0465","0.0449","","","0.117","0.1185","","","","","","1.065","","","","has coordinates","265736","2021-06-03","19:50:41",""
"4518794","7.8674","0.0012","10.8182","0.0015","16.305","0.003","94.407","0.007","91.928","0.007","97.087","0.007","1371.8","0.4","293","","293","","","","","","","","","4","P -1","-P 1","2","","","","- C16 H12 N4 O2 -","- C16 H12 N4 O2 -","- C64 H48 N16 O8 -","4","2","","Ibrahim, Hamada Mohamed; Behbehani, Haider","TFA-catalyzed Q-Tube Reactor-Assisted Strategy for the Synthesis of Pyrido[1,2-<i>b</i>][1,2,4]triazine and Pyrido[1',2':2,3][1,2,4]triazino[5,6-<i>b</i>]indole Derivatives.","ACS omega","2021","6","24","16086","16099","10.1021/acsomega.1c01980","","","0.71075","MoKα","","","0.083","","","","0.288","","","","","","1.038","","","","has coordinates","266964","2021-07-04","01:37:55",""
"4518795","16.516","0.0013","14.1547","0.0011","7.1025","0.0007","90","","91.122","0.006","90","","1660.1","0.2","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Hamada_GH60_14_09_17","","","- C20 H10 Cl N5 -","- C20 H10 Cl N5 -","- C80 H40 Cl4 N20 -","4","1","","Ibrahim, Hamada Mohamed; Behbehani, Haider","TFA-catalyzed Q-Tube Reactor-Assisted Strategy for the Synthesis of Pyrido[1,2-<i>b</i>][1,2,4]triazine and Pyrido[1',2':2,3][1,2,4]triazino[5,6-<i>b</i>]indole Derivatives.","ACS omega","2021","6","24","16086","16099","10.1021/acsomega.1c01980","","","1.54178","CuKα","","0.1315","0.0627","","","0.1646","0.1904","","","","","","1.129","","","","has coordinates","266964","2021-07-04","01:38:06",""
"4518796","7.4315","0.0003","15.4721","0.0007","13.5859","0.0006","90","","91.551","0.002","90","","1561.55","0.12","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","Hamada_GH68C_11_10_17","","","- C20 H12 N6 -","- C20 H12 N6 -","- C80 H48 N24 -","4","1","","Ibrahim, Hamada Mohamed; Behbehani, Haider","TFA-catalyzed Q-Tube Reactor-Assisted Strategy for the Synthesis of Pyrido[1,2-<i>b</i>][1,2,4]triazine and Pyrido[1',2':2,3][1,2,4]triazino[5,6-<i>b</i>]indole Derivatives.","ACS omega","2021","6","24","16086","16099","10.1021/acsomega.1c01980","","","1.54178","CuKα","","0.0506","0.0441","","","0.1112","0.1177","","","","","","1.164","","","","has coordinates","266964","2021-07-04","01:38:06",""
"4518797","16.8422","0.0008","14.1742","0.0008","7.0948","0.0004","90","","90.995","0.004","90","","1693.45","0.16","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Hamada_GH64C_27_09_17","","","- C20 H10 Br N5 -","- C20 H10 Br N5 -","- C80 H40 Br4 N20 -","4","1","","Ibrahim, Hamada Mohamed; Behbehani, Haider","TFA-catalyzed Q-Tube Reactor-Assisted Strategy for the Synthesis of Pyrido[1,2-<i>b</i>][1,2,4]triazine and Pyrido[1',2':2,3][1,2,4]triazino[5,6-<i>b</i>]indole Derivatives.","ACS omega","2021","6","24","16086","16099","10.1021/acsomega.1c01980","","","1.54178","CuKα","","0.0727","0.0551","","","0.1585","0.1819","","","","","","1.053","","","","has coordinates","266964","2021-07-04","01:38:06",""
"4518798","18.444","0.002","12.6807","0.0012","6.8046","0.0007","90","","90","","90","","1591.5","0.3","296","2","296","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C21 H13 N5 -","- C21 H13 N5 -","- C84 H52 N20 -","4","1","","Ibrahim, Hamada Mohamed; Behbehani, Haider","TFA-catalyzed Q-Tube Reactor-Assisted Strategy for the Synthesis of Pyrido[1,2-<i>b</i>][1,2,4]triazine and Pyrido[1',2':2,3][1,2,4]triazino[5,6-<i>b</i>]indole Derivatives.","ACS omega","2021","6","24","16086","16099","10.1021/acsomega.1c01980","","","1.54178","CuKα","","0.0756","0.0687","","","0.1728","0.1781","","","","","","1.088","","","","has coordinates","266964","2021-07-04","01:38:06",""
"4518799","16.3529","0.0014","14.2319","0.0013","7.2576","0.0008","90","","97.256","0.008","90","","1675.6","0.3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Hamada_GH61_17_09_17","","","- C21 H13 N5 O -","- C21 H13 N5 O -","- C84 H52 N20 O4 -","4","1","","Ibrahim, Hamada Mohamed; Behbehani, Haider","TFA-catalyzed Q-Tube Reactor-Assisted Strategy for the Synthesis of Pyrido[1,2-<i>b</i>][1,2,4]triazine and Pyrido[1',2':2,3][1,2,4]triazino[5,6-<i>b</i>]indole Derivatives.","ACS omega","2021","6","24","16086","16099","10.1021/acsomega.1c01980","","","1.54178","CuKα","","0.159","0.0712","","","0.1798","0.2235","","","","","","1.106","","","","has coordinates","266964","2021-07-04","01:38:06",""
"4518800","7.0765","0.0005","14.1844","0.0009","15.9271","0.001","76.326","0.004","77.458","0.005","88.903","0.005","1515.44","0.18","296","2","296","2","","","","","","","","3","P -1","-P 1","2","Hamada_GH59_13_09_17","","","- C40 H22 N10 -","- C40 H22 N10 -","- C80 H44 N20 -","2","1","","Ibrahim, Hamada Mohamed; Behbehani, Haider","TFA-catalyzed Q-Tube Reactor-Assisted Strategy for the Synthesis of Pyrido[1,2-<i>b</i>][1,2,4]triazine and Pyrido[1',2':2,3][1,2,4]triazino[5,6-<i>b</i>]indole Derivatives.","ACS omega","2021","6","24","16086","16099","10.1021/acsomega.1c01980","","","1.54178","CuKα","","0.079","0.0497","","","0.1505","0.1997","","","","","","0.738","","","","has coordinates","266964","2021-07-04","01:38:06",""
"4518801","9.0705","0.0005","10.4979","0.0006","12.268","0.0007","94.399","0.003","106.772","0.003","96.64","0.003","1103.51","0.11","100","1","100","1","","","","","","","","6","P -1","-P 1","2","","","","- C14 H37 N3 O Si2 Sr -","- C14 H37 N3 O Si2 Sr -","- C28 H74 N6 O2 Si4 Sr2 -","2","1","","Park, Chanwoo; Hwang, Jeong Min; Go, Yongmin; Choi, Heenang; Park, Bo Keun; Kim, Chang Gyoun; Ryu, Ji Yeon; Hong, Chang Seop; Chung, Taek-Mo","Synthesis and Crystal Structures of New Strontium Complexes with Aminoalkoxy and β-Diketonato Ligands.","ACS omega","2021","6","24","15948","15956","10.1021/acsomega.1c01624","","","0.71073","MoKα","","0.0723","0.0553","","","0.1362","0.1445","","","","","","0.966","","","","has coordinates","266965","2021-07-04","01:38:59",""
"4518802","10.027","0.002","10.505","0.002","12.868","0.003","86.037","0.012","72.8","0.01","81.722","0.011","1280.8","0.5","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C17 H43 N3 O2 Si2 Sr -","- C17 H43 N3 O2 Si2 Sr -","- C34 H86 N6 O4 Si4 Sr2 -","2","1","","Park, Chanwoo; Hwang, Jeong Min; Go, Yongmin; Choi, Heenang; Park, Bo Keun; Kim, Chang Gyoun; Ryu, Ji Yeon; Hong, Chang Seop; Chung, Taek-Mo","Synthesis and Crystal Structures of New Strontium Complexes with Aminoalkoxy and β-Diketonato Ligands.","ACS omega","2021","6","24","15948","15956","10.1021/acsomega.1c01624","","","0.71073","MoKα","","0.0767","0.0553","","","0.1473","0.1654","","","","","","1.105","","","","has coordinates,has disorder","266965","2021-07-04","01:39:09",""
"4518803","12.2155","0.0009","18.9312","0.0014","20.4702","0.0016","90","","90","","90","","4733.8","0.6","100","1","100","1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C15 H39 N3 O Si2 Sr -","- C15 H39 N3 O Si2 Sr -","- C120 H312 N24 O8 Si16 Sr8 -","8","1","","Park, Chanwoo; Hwang, Jeong Min; Go, Yongmin; Choi, Heenang; Park, Bo Keun; Kim, Chang Gyoun; Ryu, Ji Yeon; Hong, Chang Seop; Chung, Taek-Mo","Synthesis and Crystal Structures of New Strontium Complexes with Aminoalkoxy and β-Diketonato Ligands.","ACS omega","2021","6","24","15948","15956","10.1021/acsomega.1c01624","","","0.71073","MoKα","","0.0627","0.0346","","","0.0783","0.0913","","","","","","1.045","","","","has coordinates","266965","2021-07-04","01:39:09",""
"4518804","18.04","0.0014","11.5817","0.0009","35.591","0.003","90","","103.789","0.004","90","","7221.9","1","100","1","100","1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C29 H61 N4 O4 Sr1.5 -","- C29 H61 N4 O4 Sr1.5 -","- C232 H488 N32 O32 Sr12 -","8","1","","Park, Chanwoo; Hwang, Jeong Min; Go, Yongmin; Choi, Heenang; Park, Bo Keun; Kim, Chang Gyoun; Ryu, Ji Yeon; Hong, Chang Seop; Chung, Taek-Mo","Synthesis and Crystal Structures of New Strontium Complexes with Aminoalkoxy and β-Diketonato Ligands.","ACS omega","2021","6","24","15948","15956","10.1021/acsomega.1c01624","","","0.71073","MoKα","","0.1126","0.0527","","","0.1219","0.144","","","","","","1.026","","","","has coordinates","266965","2021-07-04","01:39:09",""
"4518805","17.582","0.0007","14.2227","0.0005","23.1741","0.0009","90","","97.147","0.002","90","","5750","0.4","100","1","100","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C39 H60 F18 N6 O9 Sr3 -","- C39 H60 F18 N6 O9 Sr3 -","- C156 H240 F72 N24 O36 Sr12 -","4","1","","Park, Chanwoo; Hwang, Jeong Min; Go, Yongmin; Choi, Heenang; Park, Bo Keun; Kim, Chang Gyoun; Ryu, Ji Yeon; Hong, Chang Seop; Chung, Taek-Mo","Synthesis and Crystal Structures of New Strontium Complexes with Aminoalkoxy and β-Diketonato Ligands.","ACS omega","2021","6","24","15948","15956","10.1021/acsomega.1c01624","","","0.71073","MoKα","","0.0877","0.0566","","","0.1454","0.1665","","","","","","1.035","","","","has coordinates,has disorder","266965","2021-07-04","01:39:09",""
"4518806","12.058","0.003","12.438","0.003","21.422","0.006","93.087","0.016","101.598","0.014","110.133","0.013","2928.3","1.3","100","1","100","1","","","","","","","","6","P -1","-P 1","2","","","","- C42 H66 F18 N6 O9 Sr3 -","- C42 H66 F18 N6 O9 Sr3 -","- C84 H132 F36 N12 O18 Sr6 -","2","1","","Park, Chanwoo; Hwang, Jeong Min; Go, Yongmin; Choi, Heenang; Park, Bo Keun; Kim, Chang Gyoun; Ryu, Ji Yeon; Hong, Chang Seop; Chung, Taek-Mo","Synthesis and Crystal Structures of New Strontium Complexes with Aminoalkoxy and β-Diketonato Ligands.","ACS omega","2021","6","24","15948","15956","10.1021/acsomega.1c01624","","","0.71073","MoKα","","0.1047","0.0628","","","0.1545","0.175","","","","","","1.013","","","","has coordinates,has disorder","266965","2021-07-04","01:39:09",""
"4518818","16.8193","0.001","17.3271","0.001","21.1897","0.0015","107.161","0.008","99.537","0.007","100.103","0.007","5651.6","0.7","160","","160","","","","","","","","","7","P -1","-P 1","2","","","","- C156 H203 B2 F20 Fe12 N24 O40 -","- C156 H203 B2 F20 Fe12 N24 O40 -","- C156 H203 B2 F20 Fe12 N24 O40 -","1","0.5","","De Silva, D. Nirosha T.; Dais, Tyson N.; Jameson, Geoffrey B.; Cutler, Daniel J.; Brechin, Euan K.; Davies, Casey G.; Jameson, Guy N. L.; Plieger, Paul G.","Synthesis and Characterization of Symmetrically versus Unsymmetrically Proton-Bridged Hexa-Iron Clusters","ACS Omega","2021","6","25","16661","16669","10.1021/acsomega.1c02255","","","1.54187","CuKα","","0.1491","0.1049","","","0.281","0.3259","","","","","","1.037","","","","has coordinates,has disorder","266966","2021-07-04","01:39:57",""
"4518819","17.9936","0.0004","37.0613","0.0007","20.437","0.0014","90","","113.409","0.008","90","","12507","1.2","163","","163","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C116 H131 B3 F18 Fe6 N13 O14 -","- C116 H131 B3 F18 Fe6 N13 O14 -","- C464 H524 B12 F72 Fe24 N52 O56 -","4","1","","De Silva, D. Nirosha T.; Dais, Tyson N.; Jameson, Geoffrey B.; Cutler, Daniel J.; Brechin, Euan K.; Davies, Casey G.; Jameson, Guy N. L.; Plieger, Paul G.","Synthesis and Characterization of Symmetrically versus Unsymmetrically Proton-Bridged Hexa-Iron Clusters","ACS Omega","2021","6","25","16661","16669","10.1021/acsomega.1c02255","","","1.54178","CuKα","","0.1894","0.1012","","","0.2518","0.3043","","","","","","0.97","","","","has coordinates,has disorder","266966","2021-07-04","01:40:10",""
"4519003","6.4476","0.0002","9.4727","0.0003","12.1525","0.0003","96.18","0.002","92.803","0.002","108.433","0.003","697.34","0.04","150","0.1","150","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C16 H14 N2 O S -","- C16 H14 N2 O S -","- C32 H28 N4 O2 S2 -","2","1","","Bhattacharya, Anwesha; Thirupathi, Annaram; Natarajan, Pradeep; Peruncheralathan, Saravanan","Chemoselective Ullmann Reaction of α-Trisubstituted Thioamides: Synthesis of Novel 2-Iminobenzothiolanes.","ACS omega","2021","6","32","21169","21180","10.1021/acsomega.1c03410","","x-ray","1.54184","CuKα","","0.0421","0.0385","","","0.1051","0.1054","","","","","","1.0423","","","","has coordinates","268428","2021-09-03","20:23:24",""
"4519004","8.1526","0.0002","9.0963","0.0002","10.4069","0.0002","106.308","0.002","104.374","0.002","103.637","0.002","677.68","0.03","293","2","291","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H12 N2 S -","- C16 H12 N2 S -","- C32 H24 N4 S2 -","2","1","","Bhattacharya, Anwesha; Thirupathi, Annaram; Natarajan, Pradeep; Peruncheralathan, Saravanan","Chemoselective Ullmann Reaction of α-Trisubstituted Thioamides: Synthesis of Novel 2-Iminobenzothiolanes.","ACS omega","2021","6","32","21169","21180","10.1021/acsomega.1c03410","","x-ray","1.54184","CuKα","","0.0424","0.0408","","","0.1094","0.1105","","","","","","1.0462","","","","has coordinates","268429","2021-09-03","20:23:47",""
"4519005","10.246","0.0005","12.0419","0.0007","15.9309","0.0008","92.106","0.001","102.831","0.001","112.696","0.001","1751.64","0.16","100","2","100","2","","","","","","","","4","P -1","-P 1","2","Pm-BBP","","","- C48 H30 N4 O2 -","- C48 H30 N4 O2 -","- C96 H60 N8 O4 -","2","1","","Mukhopadhyay, Arindam; Jindal, Swati; Maka, Vijay Kumar; Moorthy, Jarugu Narasimha","Contrasting Photochromic and Acidochromic Behaviors of Pyridyl- and Pyrimidylethynylated Mono- and Bis-Benzopyrans.","ACS omega","2021","6","32","21113","21124","10.1021/acsomega.1c02948","","","0.71073","MoKα","","0.0945","0.0591","","","0.1362","0.1553","","","","","","1.013","","","","has coordinates","268430","2021-09-03","20:24:07",""
"4519006","21.622","0.001","14.9773","0.001","16.9507","0.0009","90","","107.267","0.002","90","","5241.9","0.5","273","2","273","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Py-MBP","","","- C72 H50 N4 O5 -","- C72 H50 N4 O5 -","- C288 H200 N16 O20 -","4","0.5","","Mukhopadhyay, Arindam; Jindal, Swati; Maka, Vijay Kumar; Moorthy, Jarugu Narasimha","Contrasting Photochromic and Acidochromic Behaviors of Pyridyl- and Pyrimidylethynylated Mono- and Bis-Benzopyrans.","ACS omega","2021","6","32","21113","21124","10.1021/acsomega.1c02948","","","0.71073","MoKα","","0.1004","0.0517","","","0.1044","0.115","","","","","","1.02","","","","has coordinates","268431","2021-09-03","20:24:30",""
"4519007","14.4202","0.0006","9.3653","0.0004","37.5025","0.0017","90","","90.967","0.002","90","","5064","0.4","100","2","100","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","TFA salt of Py-BBP","","","- C58 H36 F12 N2 O10 -","- C58 H36 F12 N2 O10 -","- C232 H144 F48 N8 O40 -","4","0.5","","Mukhopadhyay, Arindam; Jindal, Swati; Maka, Vijay Kumar; Moorthy, Jarugu Narasimha","Contrasting Photochromic and Acidochromic Behaviors of Pyridyl- and Pyrimidylethynylated Mono- and Bis-Benzopyrans.","ACS omega","2021","6","32","21113","21124","10.1021/acsomega.1c02948","","","0.71073","MoKα","","0.1403","0.0678","","","0.1347","0.1661","","","","","","1.05","","","","has coordinates","268432","2021-09-03","20:24:54",""
"4519008","8.6204","0.0005","9.516","0.0005","14.2523","0.0009","108.353","0.002","100.322","0.002","94.923","0.002","1078.97","0.11","100","2","100","2","","","","","","","","5","P -1","-P 1","2","Py-BBP","","","- C52 H34 Cl6 N2 O2 -","- C52 H34 Cl6 N2 O2 -","- C52 H34 Cl6 N2 O2 -","1","0.5","","Mukhopadhyay, Arindam; Jindal, Swati; Maka, Vijay Kumar; Moorthy, Jarugu Narasimha","Contrasting Photochromic and Acidochromic Behaviors of Pyridyl- and Pyrimidylethynylated Mono- and Bis-Benzopyrans.","ACS omega","2021","6","32","21113","21124","10.1021/acsomega.1c02948","","","0.71073","MoKα","","0.0713","0.0447","","","0.0895","0.1023","","","","","","1.028","","","","has coordinates","268433","2021-09-03","20:25:09",""
"4519009","16.6568","0.0009","27.3432","0.0014","16.0488","0.0008","90","","110.19","0.001","90","","6860.3","0.6","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Pm-MBP","","- C72 H50 Cl12 N8 O5 -","- C72 H50 Cl12 N8 O5 -","- C288 H200 Cl48 N32 O20 -","4","1","","Mukhopadhyay, Arindam; Jindal, Swati; Maka, Vijay Kumar; Moorthy, Jarugu Narasimha","Contrasting Photochromic and Acidochromic Behaviors of Pyridyl- and Pyrimidylethynylated Mono- and Bis-Benzopyrans.","ACS omega","2021","6","32","21113","21124","10.1021/acsomega.1c02948","","","0.71073","MoKα","","0.1919","0.1084","","","0.2921","0.3305","","","","","","1.073","","","","has coordinates,has disorder","268434","2021-09-03","20:25:30",""
"4519010","6.9892","0.0012","9.8482","0.0016","17.931","0.003","90","","90.995","0.002","90","","1234","0.4","273","2","273","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C22 H18 F6 Fe2 N O4 S2 -","- C22 H18 F6 Fe2 N O4 S2 -","- C44 H36 F12 Fe4 N2 O8 S4 -","2","0.5","","Kimata, Hironori; Inagaki, Takashi; Mochida, Tomoyuki","Anion-Ordering Phase Transitions in Biferrocenium and Ferrocenium Salts with the Bis(trifluoromethanesulfonyl)amide Anion.","ACS omega","2021","6","32","21139","21146","10.1021/acsomega.1c03059","","","0.71073","MoKα","","0.0665","0.0598","","","0.1497","0.1553","","","","","","1.109","","","","has coordinates,has disorder","268435","2021-09-03","20:25:53",""
"4519011","16.5057","0.0018","14.3305","0.0016","28.243","0.003","90","","90.968","0.002","90","","6679.5","1.3","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C12 H10 F6 Fe N O4 S2 -","- C12 H10 F6 Fe N O4 S2 -","- C192 H160 F96 Fe16 N16 O64 S32 -","16","8","","Kimata, Hironori; Inagaki, Takashi; Mochida, Tomoyuki","Anion-Ordering Phase Transitions in Biferrocenium and Ferrocenium Salts with the Bis(trifluoromethanesulfonyl)amide Anion.","ACS omega","2021","6","32","21139","21146","10.1021/acsomega.1c03059","","","0.71073","MoKα","","0.0409","0.0363","","","0.0995","0.1034","","","","","","1.05","","","","has coordinates,has disorder","268436","2021-09-03","20:26:17",""
"4519012","14.385","0.003","20.809","0.005","23.264","0.005","90","","90","","90","","6964","3","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C32 H38 F6 Fe2 N O4 S2 -","- C32 H38 F6 Fe2 N O4 S2 -","- C256 H304 F48 Fe16 N8 O32 S16 -","8","2","","Kimata, Hironori; Inagaki, Takashi; Mochida, Tomoyuki","Anion-Ordering Phase Transitions in Biferrocenium and Ferrocenium Salts with the Bis(trifluoromethanesulfonyl)amide Anion.","ACS omega","2021","6","32","21139","21146","10.1021/acsomega.1c03059","","","0.71073","MoKα","","0.0573","0.0503","","","0.1251","0.1308","","","","","","1.052","","","","has coordinates","268437","2021-09-03","20:26:42",""
"4519013","10.5371","0.0005","23.5057","0.0012","14.5393","0.0007","90","","90","","90","","3601.1","0.3","273","2","273","2","","","","","","","","7","C m c e","-C 2ac 2","64","","","","- C32 H38 F6 Fe2 N O4 S2 -","- C32 H38 F6 Fe2 N O4 S2 -","- C128 H152 F24 Fe8 N4 O16 S8 -","4","0.25","","Kimata, Hironori; Inagaki, Takashi; Mochida, Tomoyuki","Anion-Ordering Phase Transitions in Biferrocenium and Ferrocenium Salts with the Bis(trifluoromethanesulfonyl)amide Anion.","ACS omega","2021","6","32","21139","21146","10.1021/acsomega.1c03059","","","0.71073","MoKα","","0.0702","0.0634","","","0.1945","0.2055","","","","","","1.057","","","","has coordinates","268438","2021-09-03","20:27:02",""
"4519014","22.883","0.005","9.712","0.002","32.042","0.007","90","","96.052","0.002","90","","7081","3","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C22 H18 F6 Fe2 N O4 S2 -","- C22 H18 F6 Fe2 N O4 S2 -","- C264 H216 F72 Fe24 N12 O48 S24 -","12","3","","Kimata, Hironori; Inagaki, Takashi; Mochida, Tomoyuki","Anion-Ordering Phase Transitions in Biferrocenium and Ferrocenium Salts with the Bis(trifluoromethanesulfonyl)amide Anion.","ACS omega","2021","6","32","21139","21146","10.1021/acsomega.1c03059","","","0.71073","MoKα","","0.1215","0.0885","","","0.1997","0.2225","","","","","","1.007","","","","has coordinates,has disorder","268439","2021-09-03","20:27:27",""
"4519015","11.9414","0.0004","15.0754","0.0003","12.8497","0.0005","90","","116.707","0.005","90","","2066.44","0.15","293","2","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H16 N2 O9 Ru -","- C18 H16 N4 O9 Ru -","- C72 H64 N16 O36 Ru4 -","4","1","","Zheng, Zhiwei; Arai, Tsuyoshi; Takao, Koichiro","Complexation-Distribution Separated Solvent Extraction Process Designed for Rapid and Efficient Recovery of Inert Platinum Group Metals.","ACS omega","2021","6","33","21809","21818","10.1021/acsomega.1c03565","","","0.71073","MoKα","","0.0601","0.0387","","","0.1017","0.1148","","","","","","0.957","","","","has coordinates","268440","2021-09-03","20:27:53",""
"4519016","12.384","0.006","19.821","0.009","19.834","0.009","103.858","0.013","90.682","0.014","102.42","0.013","4606","4","","","","","","","","","","","","6","P -1","-P 1","2","","","","- C74 H70 F42 N4 O12 Sm2 -","- C74 H77 F42 N4 O12 Sm2 -","- C148 H154 F84 N8 O24 Sm4 -","2","1","","Ganaie, Aabid Bashir; Iftikhar, Khalid","Theoretical Modeling (Sparkle RM1 and PM7) and Crystal Structures of the Luminescent Dinuclear Sm(III) and Eu(III) Complexes of 6,6,7,7,8,8,8- Heptafluoro-2,2-dimethyl-3,5-octanedione and 2,3-Bis(2-pyridyl)pyrazine: Determination of Individual Spectroscopic Parameters for Two Unique Eu<sup>3+</sup> Sites.","ACS omega","2021","6","33","21207","21226","10.1021/acsomega.0c05976","","","","","","0.154","","","","","","","","","","","","","","","has coordinates","268441","2021-09-03","20:28:36",""
"4519071","18.3668","0.0011","18.3668","0.0011","49.803","0.003","90","","90","","120","","14549.7","1.5","293","2","293","2","","","","","","","","6","P -3 c 1","-P 3 2""c","165","","","","- C31 H23 Cu2 N3 O13 P2 -","- C31 H23 Cu2 N3 O13 P2 -","- C372 H276 Cu24 N36 O156 P24 -","12","1","","Han, Jing-Hua; Hu, Bing-Qian; Li, Tangming; Liang, Hao; Yu, Fan; Zhao, Qiang; Li, Bao","Synthesis, Structures, and Sorption Properties of Two New Metal-Organic Frameworks Constructed by the Polycarboxylate Ligand Derived from Cyclotriphosphazene.","ACS omega","2021","6","36","23110","23116","10.1021/acsomega.1c02492","","","0.71073","MoKα","","0.1819","0.1062","","","0.2921","0.3301","","","","","","0.974","","","","has coordinates","269493","2021-10-03","20:32:06",""
"4519072","16.652","0.0012","33.684","0.002","16.5376","0.0012","90","","90.498","0.001","90","","9275.7","1.1","273","2","273.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C62 H40 Cu3 N7 O24 P3 -","- C62 H40 Cu3 N7 O24 P3 -","- C248 H160 Cu12 N28 O96 P12 -","4","0.5","","Han, Jing-Hua; Hu, Bing-Qian; Li, Tangming; Liang, Hao; Yu, Fan; Zhao, Qiang; Li, Bao","Synthesis, Structures, and Sorption Properties of Two New Metal-Organic Frameworks Constructed by the Polycarboxylate Ligand Derived from Cyclotriphosphazene.","ACS omega","2021","6","36","23110","23116","10.1021/acsomega.1c02492","","","0.71073","MoKα","","0.0586","0.0467","","","0.14","0.1469","","","","","","1.012","","","","has coordinates","269494","2021-10-03","20:32:33",""
"4519073","10.5327","0.0013","13.9466","0.0018","15.712","0.002","63.727","0.002","74.453","0.002","78.923","0.002","1986.6","0.4","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C40 H50 F6 Fe N7 O Sb -","- C40 H50 F6 Fe N7 O Sb -","- C80 H100 F12 Fe2 N14 O2 Sb2 -","2","1","","Khade, Rahul L.; Abucayon, Erwin G.; Powell, Douglas R.; Richter-Addo, George B.; Zhang, Yong","Insights into the Observed trans-Bond Length Variations upon NO Binding to Ferric and Ferrous Porphyrins with Neutral Axial Ligands","ACS Omega","2021","6","38","24777","24787","10.1021/acsomega.1c03610","","","0.71073","MoKα","","0.0771","0.0489","","","0.1284","0.1473","","","","","","1.008","","","","has coordinates,has disorder","269495","2021-10-03","20:32:56",""
"4519074","9.9783","0.0012","10.928","0.0013","11.3674","0.0014","75.369","0.0018","88.574","0.0019","66.4191","0.0018","1095.1","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H56 F6 Fe N8 Sb -","- C44 H56 F6 Fe N8 Sb -","- C44 H56 F6 Fe N8 Sb -","1","0.5","","Khade, Rahul L.; Abucayon, Erwin G.; Powell, Douglas R.; Richter-Addo, George B.; Zhang, Yong","Insights into the Observed trans-Bond Length Variations upon NO Binding to Ferric and Ferrous Porphyrins with Neutral Axial Ligands","ACS Omega","2021","6","38","24777","24787","10.1021/acsomega.1c03610","","","0.71073","MoKα","","0.0294","0.0257","","","0.0673","0.0713","","","","","","1.012","","","","has coordinates,has disorder","269496","2021-10-03","20:33:14",""
"4519075","11.502","0.004","13.713","0.004","13.952","0.004","66.47","0.007","82.509","0.008","78.86","0.007","1976.1","1.1","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H50 F6 Fe N6 Sb -","- C40 H50 F6 Fe N6 Sb -","- C80 H100 F12 Fe2 N12 Sb2 -","2","1","","Khade, Rahul L.; Abucayon, Erwin G.; Powell, Douglas R.; Richter-Addo, George B.; Zhang, Yong","Insights into the Observed trans-Bond Length Variations upon NO Binding to Ferric and Ferrous Porphyrins with Neutral Axial Ligands","ACS Omega","2021","6","38","24777","24787","10.1021/acsomega.1c03610","","","0.71073","MoKα","","0.1506","0.0732","","","0.1527","0.1872","","","","","","1.012","","","","has coordinates,has disorder","269497","2021-10-03","20:33:34",""
"4519076","16.2677","0.0002","16.0705","0.0002","11.287","0.0002","90","","90","","90","","2950.76","0.07","296","2","296.15","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C22 H48 N4 O6 Ta -","- C22 H48 N4 O6 Ta -","- C88 H192 N16 O24 Ta4 -","4","0.5","","Hwang, Jeong Min; Lee, Sung Kwang; Shin, Sunyoung; Jeong, Ji-Seoung; Kim, Hae Sun; Ryu, Ji Yeon; Eom, Taeyong; Park, Bo Keun; Kim, Chang Gyoun; Chung, Taek-Mo","New Volatile Tantalum Imido Precursors with Carboxamide Ligands","ACS Omega","2021","6","38","24795","24802","10.1021/acsomega.1c03659","","x-ray","0.71073","MoKα","","0.0172","0.0148","","","0.0377","0.0387","","","","","","1.0435","","","","has coordinates","269498","2021-10-03","20:34:07",""
"4519077","11.4733","0.0003","16.5773","0.0004","17.1424","0.0004","90","","95.6888","0.0017","90","","3244.36","0.14","296.15","","296.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H50 N4 O6 Ta -","- C25 H50 N4 O6 Ta -","- C100 H200 N16 O24 Ta4 -","4","1","","Hwang, Jeong Min; Lee, Sung Kwang; Shin, Sunyoung; Jeong, Ji-Seoung; Kim, Hae Sun; Ryu, Ji Yeon; Eom, Taeyong; Park, Bo Keun; Kim, Chang Gyoun; Chung, Taek-Mo","New Volatile Tantalum Imido Precursors with Carboxamide Ligands","ACS Omega","2021","6","38","24795","24802","10.1021/acsomega.1c03659","","x-ray","0.71073","MoKα","","0.0829","0.0636","","","0.157","0.1715","","","","","","1.1031","","","","has coordinates,has disorder","269499","2021-10-03","20:34:44",""
"4519078","24.089","0.0012","13.5356","0.0007","18.7495","0.0009","90","","105.603","0.002","90","","5888.2","0.5","100","1","100","1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Ta(NtBu)(mdpa)3","","","- C42 H84 N6 O14 Ta2 -","- C42 H84 N6 O14 Ta2 -","- C168 H336 N24 O56 Ta8 -","4","0.5","","Hwang, Jeong Min; Lee, Sung Kwang; Shin, Sunyoung; Jeong, Ji-Seoung; Kim, Hae Sun; Ryu, Ji Yeon; Eom, Taeyong; Park, Bo Keun; Kim, Chang Gyoun; Chung, Taek-Mo","New Volatile Tantalum Imido Precursors with Carboxamide Ligands","ACS Omega","2021","6","38","24795","24802","10.1021/acsomega.1c03659","","","0.71073","MoKa","","0.0252","0.0228","","","0.0564","0.0572","","","","","","1.093","","","","has coordinates","269500","2021-10-03","20:35:09",""
"4519079","5.9104","0.0013","11.2158","0.0016","31.305","0.008","90","","90.21","0.02","90","","2075.2","0.8","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1,1'-([2,2':5',2''-terthiophene]-5,5''-diyl)bis(2,2-dimethylpropan-1-one)","","- C22 H24 O2 S3 -","- C22 H24 O2 S3 -","- C88 H96 O8 S12 -","4","1","","Langhals, Heinz; Schlücker, Thorben; Reiners, Felix; Karaghiosoff, Konstantin","Terminal Terthiophenediones: Fast-Decay Fluorescent Dyes and Their Efficient Syntheses","ACS Omega","2021","6","38","24973","24980","10.1021/acsomega.1c04010","","","0.71073","MoKα","","0.1885","0.0798","","","0.0762","0.1009","","","","","","0.975","","","","has coordinates","269501","2021-10-03","20:35:38",""
"4519102","11.0125","0.0016","6.523","0.0011","14.3222","0.0012","90","","90","","90","","1028.8","0.2","290.69","0.16","290.69","0.16","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C40 H32 Br4 N4 O12 -","- C40 H32 Br4 N4 O12 -","- C40 H32 Br4 N4 O12 -","1","0.125","","Lipon, Tyrchain Mitre; Marpna, Ibakyntiew D.; Wanniang, Kmendashisha; Shangpliang, O. Risuklang; Laloo, Badaker M.; Nongkhlaw, Rishanlang; Myrboh, Bekington","Selenium Dioxide-Mediated Bromination of α,β-Unsaturated Ketones Using <i>N</i>-Bromosuccinimide in the Presence of <i>p</i>-Toluenesulfonic Acid: A Versatile Route for the Synthesis of α'-Bromo-4-arylbut-3-en-2-one and α',α'-Dibromo-4-arylbut-3-en-2-one.","ACS omega","2021","6","41","27466","27477","10.1021/acsomega.1c04352","","x-ray","0.71073","MoKα","","0.1376","0.0639","","","0.1057","0.1307","","","","","","1.011","","","","has coordinates","270242","2021-11-03","21:12:50",""
"4519103","19.939","0.005","7.058","0.003","8.04","0.003","90","","90","","90","","1131.5","0.7","291.6","0.3","291.6","0.3","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C40 H28 Br8 Cl4 O4 -","- C40 H28 Br8 Cl4 O4 -","- C40 H28 Br8 Cl4 O4 -","1","0.125","","Lipon, Tyrchain Mitre; Marpna, Ibakyntiew D.; Wanniang, Kmendashisha; Shangpliang, O. Risuklang; Laloo, Badaker M.; Nongkhlaw, Rishanlang; Myrboh, Bekington","Selenium Dioxide-Mediated Bromination of α,β-Unsaturated Ketones Using <i>N</i>-Bromosuccinimide in the Presence of <i>p</i>-Toluenesulfonic Acid: A Versatile Route for the Synthesis of α'-Bromo-4-arylbut-3-en-2-one and α',α'-Dibromo-4-arylbut-3-en-2-one.","ACS omega","2021","6","41","27466","27477","10.1021/acsomega.1c04352","","x-ray","0.71073","MoKα","","0.1899","0.1168","","","0.2487","0.294","","","","","","1.095","","","","has coordinates","270243","2021-11-03","21:13:08",""
"4519104","7.7137","0.0005","9.9031","0.0011","10.9047","0.0011","92.5","0.008","94.608","0.007","103.797","0.007","804.66","0.13","295","2","295","2","","","","","","","","3","P -1","-P 1","2","","","","- C19 H20 O4 -","- C19 H20 O4 -","- C38 H40 O8 -","2","1","","Liu, Kuan-Ting; Chuang, Jia-Yu; Jeng, Ru-Jong; Leung, Man-Kit","Sustainable Synthesis of Cyclic Carbonates from Terminal Epoxides by a Highly Efficient CaI<sub>2</sub>/1,3-Bis[tris(hydroxymethyl)-methylamino]-propane Catalyst.","ACS omega","2021","6","41","27279","27287","10.1021/acsomega.1c04086","","","0.71073","MoKα","","0.1416","0.0808","","","0.1835","0.2458","","","","","","1.087","","","","has coordinates,has disorder","270244","2021-11-03","21:13:28",""
"4519105","15.779","0.002","8.8435","0.001","13.4059","0.0017","90","","90","","90","","1870.7","0.4","150","2","150","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C11 H30 Ca Cl2 N2 O8 -","- C11 H30 Ca Cl2 N2 O8 -","- C44 H120 Ca4 Cl8 N8 O32 -","4","1","","Liu, Kuan-Ting; Chuang, Jia-Yu; Jeng, Ru-Jong; Leung, Man-Kit","Sustainable Synthesis of Cyclic Carbonates from Terminal Epoxides by a Highly Efficient CaI<sub>2</sub>/1,3-Bis[tris(hydroxymethyl)-methylamino]-propane Catalyst.","ACS omega","2021","6","41","27279","27287","10.1021/acsomega.1c04086","","","0.71073","MoKα","","0.1065","0.0658","","","0.1581","0.203","","","","","","1.089","","","","has coordinates","270245","2021-11-03","21:13:50",""
"4519106","29.327","0.006","5.869","0.0009","12.6542","0.0017","90","","108.828","0.014","90","","2061.5","0.6","150","2","150","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C23 H24 O8 -","- C23 H24 O8 -","- C92 H96 O32 -","4","0.5","","Liu, Kuan-Ting; Chuang, Jia-Yu; Jeng, Ru-Jong; Leung, Man-Kit","Sustainable Synthesis of Cyclic Carbonates from Terminal Epoxides by a Highly Efficient CaI<sub>2</sub>/1,3-Bis[tris(hydroxymethyl)-methylamino]-propane Catalyst.","ACS omega","2021","6","41","27279","27287","10.1021/acsomega.1c04086","","","0.71073","MoKα","","0.0891","0.0742","","","0.1973","0.214","","","","","","1.042","","","","has coordinates","270246","2021-11-03","21:14:13",""
"4519107","20.3394","0.0009","7.8242","0.0003","9.5561","0.0004","90","","100.644","0.002","90","","1494.59","0.11","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Tribasic silver periodate","","- Ag2 H24 I4 K6 O32 -","- Ag2 H24 I4 K6 O32 -","- Ag4 H48 I8 K12 O64 -","2","0.25","","Spina, Carla J.; Notarandrea-Alfonzo, Johanny E; Guerra, Elizabeth D.; Goodall, Carlie; Bohle, D. Scott; Precht, Rod","Synthesis and Structural and Spectroscopic Studies of a pH-Neutral Argentic Chelate Complex: Tribasic Silver (III) Bisperiodate.","ACS omega","2021","6","41","27017","27025","10.1021/acsomega.1c03523","","","0.71073","MoKα","","0.0264","0.0221","","","0.0495","0.051","","","","","","1.079","","","","has coordinates","270247","2021-11-03","21:14:36",""
"4519108","21.358","0.003","7.2946","0.0011","22.017","0.003","90","","118.225","0.002","90","","3022.3","0.7","293","2","293.15","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C19 H17 N O4 -","- C19 H17 N O4 -","- C152 H136 N8 O32 -","8","1","","Mandal, Tirtha; Karmakar, Shilpi; Kapat, Ajoy; Dash, Jyotirmayee","Studies Directed towards the Synthesis of the Acridone Family of Natural Products: Total Synthesis of Acronycines and Atalaphyllidines.","ACS omega","2021","6","41","27062","27069","10.1021/acsomega.1c03629","","","0.71073","MoKα","","0.0651","0.044","","","0.1106","0.1222","","","","","","1.034","","","","has coordinates","270248","2021-11-03","21:15:00",""
"4519109","8.4267","0.0006","14.1473","0.0009","21.5478","0.0013","89.327","0.003","87.798","0.004","75.631","0.004","2486.6","0.3","103","2","103","2","","","","","","","","6","P -1","-P 1","2","","","","- C16.62 H7.25 Cl1.25 O11 Os3 S -","- C16.625 H7.25 Cl1.25 O11 Os3 S -","- C66.5 H29 Cl5 O44 Os12 S4 -","4","2","","Kong, Jia Wen; Lam, Zhiyong; Chan, Kiat Hwa; Ganguly, Rakesh; Joey Lee, Jia-Ying; Loo, Lit-Hsin; Webster, Richard D.; Wong, Zhen Xuan; Leong, Weng Kee","Group VIII Metal Carbonyl Cluster-Boronic Acid Conjugates: Cytotoxicity and Mode of Action Studies","ACS Omega","2021","6","43","29045","29053","10.1021/acsomega.1c04116","","","0.71073","MoKα","","0.0911","0.0636","","","0.1488","0.1674","","","","","","1.059","","","","has coordinates","270249","2021-11-03","21:15:27",""
"4519110","9.0414","0.0004","20.8788","0.0008","22.4877","0.001","65.347","0.002","86.861","0.003","81.045","0.003","3810.9","0.3","103","2","103","2","","","","","","","","6","P -1","-P 1","2","lwk476","","","- C57.8 H26.2 B3 O33 Os9 S3 -","- C57.8 H26.2 B3 O33 Os9 S3 -","- C115.6 H52.4 B6 O66 Os18 S6 -","2","1","","Kong, Jia Wen; Lam, Zhiyong; Chan, Kiat Hwa; Ganguly, Rakesh; Joey Lee, Jia-Ying; Loo, Lit-Hsin; Webster, Richard D.; Wong, Zhen Xuan; Leong, Weng Kee","Group VIII Metal Carbonyl Cluster-Boronic Acid Conjugates: Cytotoxicity and Mode of Action Studies","ACS Omega","2021","6","43","29045","29053","10.1021/acsomega.1c04116","","","0.71073","MoKα","","0.0879","0.063","","","0.1537","0.1724","","","","","","0.99","","","","has coordinates,has disorder","270250","2021-11-03","21:15:53",""
"4519111","8.4854","0.0005","12.0178","0.0006","12.884","0.0007","81.639","0.003","77.714","0.003","76.102","0.003","1240.01","0.12","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H8 Cl2 O12 Os3 S -","- C18 H8 Cl2 O12 Os3 S -","- C36 H16 Cl4 O24 Os6 S2 -","2","1","","Kong, Jia Wen; Lam, Zhiyong; Chan, Kiat Hwa; Ganguly, Rakesh; Joey Lee, Jia-Ying; Loo, Lit-Hsin; Webster, Richard D.; Wong, Zhen Xuan; Leong, Weng Kee","Group VIII Metal Carbonyl Cluster-Boronic Acid Conjugates: Cytotoxicity and Mode of Action Studies","ACS Omega","2021","6","43","29045","29053","10.1021/acsomega.1c04116","","","0.71073","MoKα","","0.0442","0.0392","","","0.1021","0.1054","","","","","","1.081","","","","has coordinates","270251","2021-11-03","21:16:14",""
"4519112","10.601","0.003","7.695","0.002","20.43","0.006","90","","94.097","0.003","90","","1662.3","0.8","153","","153","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H15 Cl O4 -","- C20 H15 Cl O4 -","- C80 H60 Cl4 O16 -","4","1","","Yamazaki, Shoko; Katayama, Kohtaro; Wang, Zhichao; Mikata, Yuji; Morimoto, Tsumoru; Ogawa, Akiya","Sequential Knoevenagel Condensation/Cyclization for the Synthesis of Indene and Benzofulvene Derivatives.","ACS omega","2021","6","42","28441","28454","10.1021/acsomega.1c05283","","","0.71075","MoKα","","0.0384","0.0356","","","0.0928","0.0958","","","","","","1.049","","","","has coordinates","270252","2021-11-03","21:16:37",""
"4519113","15.2336","0.0008","16.3399","0.0007","13.8528","0.0007","90","","90","","90","","3448.2","0.3","293","2","293.15","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C10 H22 Mn N2 O2 S4 -","- C10 H22 Mn N2 O2 S4 -","- C80 H176 Mn8 N16 O16 S32 -","8","1","","Alanazi, Abdulaziz M.; McNaughter, Paul D.; Alam, Firoz; Vitorica-Yrezabal, Inigo J; Whitehead, George F. S.; Tuna, Floriana; O'Brien, Paul; Collison, David; Lewis, David J.","Structural Investigations of α-MnS Nanocrystals and Thin Films Synthesized from Manganese(II) Xanthates by Hot Injection, Solvent-Less Thermolysis, and Doctor Blade Routes.","ACS omega","2021","6","42","27716","27725","10.1021/acsomega.1c02907","","x-ray","1.54184","CuKα","","0.0958","0.0699","","","0.1928","0.2233","","","","","","1.052","","","","has coordinates","270253","2021-11-03","21:16:59",""
"4519114","15.6601","0.0003","8.15454","0.00013","23.5223","0.0005","90","","108.507","0.002","90","","2848.48","0.1","240","0.1","240","0.1","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C20 H42 Mn N2 O2 S4 -","- C20 H42 Mn N2 O2 S4 -","- C80 H168 Mn4 N8 O8 S16 -","4","0.5","","Alanazi, Abdulaziz M.; McNaughter, Paul D.; Alam, Firoz; Vitorica-Yrezabal, Inigo J; Whitehead, George F. S.; Tuna, Floriana; O'Brien, Paul; Collison, David; Lewis, David J.","Structural Investigations of α-MnS Nanocrystals and Thin Films Synthesized from Manganese(II) Xanthates by Hot Injection, Solvent-Less Thermolysis, and Doctor Blade Routes.","ACS omega","2021","6","42","27716","27725","10.1021/acsomega.1c02907","","x-ray","1.54184","CuKα","","0.0709","0.0679","","","0.1796","0.1825","","","","","","1.099","","","","has coordinates,has disorder","270254","2021-11-03","21:17:25",""
"4519115","12.5433","0.0003","21.2751","0.0005","9.3308","0.0002","90","","102.885","0.002","90","","2427.32","0.1","150","","150","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H34 Mn N2 O2 S4 -","- C16 H34 Mn N2 O2 S4 -","- C64 H136 Mn4 N8 O8 S16 -","4","1","","Alanazi, Abdulaziz M.; McNaughter, Paul D.; Alam, Firoz; Vitorica-Yrezabal, Inigo J; Whitehead, George F. S.; Tuna, Floriana; O'Brien, Paul; Collison, David; Lewis, David J.","Structural Investigations of α-MnS Nanocrystals and Thin Films Synthesized from Manganese(II) Xanthates by Hot Injection, Solvent-Less Thermolysis, and Doctor Blade Routes.","ACS omega","2021","6","42","27716","27725","10.1021/acsomega.1c02907","","x-ray","1.54184","CuKα","","0.048","0.0372","","","0.0947","0.1006","","","","","","1.055","","","","has coordinates,has disorder","270255","2021-11-03","21:17:47",""
"4519116","20.8959","0.0013","8.0893","0.0004","15.3732","0.0009","90","","132.491","0.007","90","","1916.2","0.3","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C12 H26 Mn N2 O2 S4 -","- C12 H26 Mn N2 O2 S4 -","- C48 H104 Mn4 N8 O8 S16 -","4","0.5","","Alanazi, Abdulaziz M.; McNaughter, Paul D.; Alam, Firoz; Vitorica-Yrezabal, Inigo J; Whitehead, George F. S.; Tuna, Floriana; O'Brien, Paul; Collison, David; Lewis, David J.","Structural Investigations of α-MnS Nanocrystals and Thin Films Synthesized from Manganese(II) Xanthates by Hot Injection, Solvent-Less Thermolysis, and Doctor Blade Routes.","ACS omega","2021","6","42","27716","27725","10.1021/acsomega.1c02907","","","1.54178","CuKα","","0.0301","0.0261","","","0.0612","0.0626","","","","","","1.053","","","","has coordinates","270256","2021-11-03","21:18:09",""
"4519117","7.5898","0.0004","11.8599","0.0005","16.0804","0.0007","70.704","0.004","78.932","0.004","72.591","0.004","1296.59","0.11","99.99","0.1","99.99","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C18 H38 Mn N2 O2 S4 -","- C18 H38 Mn N2 O2 S4 -","- C36 H76 Mn2 N4 O4 S8 -","2","1","","Alanazi, Abdulaziz M.; McNaughter, Paul D.; Alam, Firoz; Vitorica-Yrezabal, Inigo J; Whitehead, George F. S.; Tuna, Floriana; O'Brien, Paul; Collison, David; Lewis, David J.","Structural Investigations of α-MnS Nanocrystals and Thin Films Synthesized from Manganese(II) Xanthates by Hot Injection, Solvent-Less Thermolysis, and Doctor Blade Routes.","ACS omega","2021","6","42","27716","27725","10.1021/acsomega.1c02907","","x-ray","1.54184","CuKα","","0.0333","0.0308","","","0.0778","0.079","","","","","","1.057","","","","has coordinates","270257","2021-11-03","21:18:30",""
"4519118","11.8338","0.0005","11.9042","0.0004","15.5003","0.0006","90","","106.751","0.002","90","","2090.9","0.14","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H30 Mn N2 O2 S4 -","- C14 H30 Mn N2 O2 S4 -","- C56 H120 Mn4 N8 O8 S16 -","4","1","","Alanazi, Abdulaziz M.; McNaughter, Paul D.; Alam, Firoz; Vitorica-Yrezabal, Inigo J; Whitehead, George F. S.; Tuna, Floriana; O'Brien, Paul; Collison, David; Lewis, David J.","Structural Investigations of α-MnS Nanocrystals and Thin Films Synthesized from Manganese(II) Xanthates by Hot Injection, Solvent-Less Thermolysis, and Doctor Blade Routes.","ACS omega","2021","6","42","27716","27725","10.1021/acsomega.1c02907","","","1.54178","CuKα","","0.0356","0.0282","","","0.0634","0.066","","","","","","1.022","","","","has coordinates","270258","2021-11-03","21:18:52",""
"4519119","19.517","0.004","14.714","0.008","9.4101","0.0019","90","","103.29","0.02","90","","2630","1.6","293","0.2","293","0.2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H31 N5 O4 -","- C27 H31 N5 O4 -","- C108 H124 N20 O16 -","4","1","","Mondal, Surajit; Dey, Swapan","Strategy to Design a Flexible and Macromolecular Sensor to Bind Cd<sup>2+</sup> Ions: A Complete Photophysical Analysis and Bio-Imaging Study.","ACS omega","2021","6","42","27936","27945","10.1021/acsomega.1c03793","","x-ray","0.71073","MoKα","","0.1829","0.061","","","0.1034","0.1429","","","","","","0.944","","","","has coordinates","270259","2021-11-03","21:19:37",""
"4519120","6.6328","0.0005","10.074","0.0008","5.9283","0.0005","90","","122.388","0.002","90","","334.5","0.05","150","2","150","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- F6 H4 Ir Na2 O2 -","- F6 Ir Na2 O2 -","- F12 Ir2 Na4 O4 -","2","0.25","","Gubanov, Alexander I.; Smolentsev, Anton I.; Filatov, Evgeny; Kuratieva, Natalia V.; Danilenko, Andrey M.; Korenev, Sergey Vasilievich","Revisiting Sodium Hexafluoroiridates: Perspective Precursors for Electronic, Quantum, and Related Materials.","ACS omega","2021","6","42","27697","27701","10.1021/acsomega.1c02722","","x-ray","0.71073","MoKα","","0.0144","0.0144","","","0.0357","0.0357","","","","","","1.144","","","","has coordinates","270260","2021-11-03","21:20:11",""
"4519121","7.5963","0.0003","7.5963","0.0003","9.8056","0.0004","90","","90","","120","","490.01","0.03","293","2","293","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- F6 H4 Ir Na3 O2 -","- F6 Ir Na3 O2 -","- F18 Ir3 Na9 O6 -","3","0.166667","","Gubanov, Alexander I.; Smolentsev, Anton I.; Filatov, Evgeny; Kuratieva, Natalia V.; Danilenko, Andrey M.; Korenev, Sergey Vasilievich","Revisiting Sodium Hexafluoroiridates: Perspective Precursors for Electronic, Quantum, and Related Materials.","ACS omega","2021","6","42","27697","27701","10.1021/acsomega.1c02722","","x-ray","0.71073","MoKα","","0.0126","0.0126","","","0.0316","0.0316","","","","","","1.165","","","","has coordinates","270261","2021-11-03","21:20:39",""
"4519122","12.2464","0.0009","12.8292","0.001","15.963","0.0012","70.103","0.001","86.552","0.001","65.453","0.001","2135.4","0.3","125","2","125","2","","","","","","","","8","P -1","-P 1","2","","","","- C48 H42 Cl N O5 P2 Pt S -","- C48 H42 Cl N O5 P2 Pt S -","- C96 H84 Cl2 N2 O10 P4 Pt2 S2 -","2","1","","Coffey, Belle; Clough, Lily; Bartkus, Daphne D.; McClellan, Ian C.; Greenberg, Matthew W.; LaFratta, Christopher N.; Tanski, Joseph M.; Anderson, Craig M.","Photophysical Properties of Cyclometalated Platinum(II) Diphosphine Compounds in the Solid State and in PMMA Films.","ACS omega","2021","6","42","28316","28325","10.1021/acsomega.1c04509","","","0.71073","MoKα","","0.0337","0.0262","","","0.0547","0.0577","","","","","","1.049","","","","has coordinates,has disorder","270262","2021-11-03","21:21:04",""
"4519182","8.219","0.0011","10.4446","0.0011","35.069","0.004","90","","90","","90","","3010.5","0.6","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","methyl 2-(3-benzoylthioureido)benzoate","","- C16 H14 N2 O3 S -","- C16 H14 N2 O3 S -","- C128 H112 N16 O24 S8 -","8","2","","Ashfaq, Muhammad; Tahir, Muhammad Nawaz; Muhammad, Shabbir; Munawar, Khurram Shahzad; Ali, Akbar; Bogdanov, Georgii; Alarfaji, Saleh S.","Single-Crystal Investigation, Hirshfeld Surface Analysis, and DFT Study of Third-Order NLO Properties of Unsymmetrical Acyl Thiourea Derivatives.","ACS omega","2021","6","46","31211","31225","10.1021/acsomega.1c04884","","","0.71073","MoKα","","0.1138","0.0545","","","0.1101","0.1358","","","","","","0.991","","","","has coordinates,has disorder","271048","2021-12-03","21:37:05",""
"4519183","5.9027","0.0009","10.2604","0.0016","14.288","0.003","108.124","0.01","97.581","0.01","97.514","0.007","801.5","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","4-((3-benzoylthioureido)methyl)cyclohexanecarboxylic acid","","- C16 H20 N2 O3 S -","- C16 H20 N2 O3 S -","- C32 H40 N4 O6 S2 -","2","1","","Ashfaq, Muhammad; Tahir, Muhammad Nawaz; Muhammad, Shabbir; Munawar, Khurram Shahzad; Ali, Akbar; Bogdanov, Georgii; Alarfaji, Saleh S.","Single-Crystal Investigation, Hirshfeld Surface Analysis, and DFT Study of Third-Order NLO Properties of Unsymmetrical Acyl Thiourea Derivatives.","ACS omega","2021","6","46","31211","31225","10.1021/acsomega.1c04884","","","0.71073","MoKα","","0.1111","0.0573","","","0.1485","0.1765","","","","","","1.029","","","","has coordinates,has disorder","271049","2021-12-03","21:37:29",""
"4519184","9.4948","0.0013","10.1971","0.001","15.507","0.0019","85.995","0.005","84.791","0.012","89.282","0.01","1491.5","0.3","102","","102","","","","","","","","","7","P -1","-P 1","2","","","","- C26 H24 F10 N O4 P S2 -","- C26 H24 F10 N O4 P S2 -","- C52 H48 F20 N2 O8 P2 S4 -","2","1","","O’Rourke, Brianna; Lauderback, Clare; Teodoro, Lara I.; Grimm, Morgan; Zeller, Matthias; Mirjafari, Arsalan; Guillet, Gary L.; Hillesheim, Patrick C.","Developing Structural First Principles for Alkylated Triphenylphosphonium-Based Ionic Liquids","ACS Omega","2021","6","47","32285","32296","10.1021/acsomega.1c05241","","","0.71073","MoKα","","0.0782","0.0454","","","0.0906","0.0981","","","","","","1.01","","","","has coordinates,has disorder","271050","2021-12-03","21:37:53",""
"4519185","16.2282","0.0005","19.4802","0.0005","8.9123","0.0003","90","","90","","90","","2817.43","0.15","170","","170","","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C24 H24 F6 N O4 P S2 -","- C24 H24 F6 N O4 P S2 -","- C96 H96 F24 N4 O16 P4 S8 -","4","1","","O’Rourke, Brianna; Lauderback, Clare; Teodoro, Lara I.; Grimm, Morgan; Zeller, Matthias; Mirjafari, Arsalan; Guillet, Gary L.; Hillesheim, Patrick C.","Developing Structural First Principles for Alkylated Triphenylphosphonium-Based Ionic Liquids","ACS Omega","2021","6","47","32285","32296","10.1021/acsomega.1c05241","","","0.71073","MoKα","","0.0986","0.0544","","","0.1266","0.1537","","","","","","1.003","","","","has coordinates","271051","2021-12-03","21:38:16",""
"4519186","14.7187","0.0006","17.5538","0.0007","18.1439","0.0007","90","","93.788","0.002","90","","4677.6","0.3","100","","100","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C22 H24 F2 N O4 P S2 -","- C22 H24 F2 N O4 P S2 -","- C176 H192 F16 N8 O32 P8 S16 -","8","2","","O’Rourke, Brianna; Lauderback, Clare; Teodoro, Lara I.; Grimm, Morgan; Zeller, Matthias; Mirjafari, Arsalan; Guillet, Gary L.; Hillesheim, Patrick C.","Developing Structural First Principles for Alkylated Triphenylphosphonium-Based Ionic Liquids","ACS Omega","2021","6","47","32285","32296","10.1021/acsomega.1c05241","","","0.71073","MoKα","","0.0599","0.0425","","","0.0875","0.0947","","","","","","1.059","","","","has coordinates","271052","2021-12-03","21:38:43",""
"4519187","17.6631","0.0004","15.9667","0.0004","19.1524","0.0005","90","","90","","90","","5401.4","0.2","150","2","150","","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C25 H24 F6 N O4 P S2 -","- C25 H24 F6 N O4 P S2 -","- C200 H192 F48 N8 O32 P8 S16 -","8","2","","O’Rourke, Brianna; Lauderback, Clare; Teodoro, Lara I.; Grimm, Morgan; Zeller, Matthias; Mirjafari, Arsalan; Guillet, Gary L.; Hillesheim, Patrick C.","Developing Structural First Principles for Alkylated Triphenylphosphonium-Based Ionic Liquids","ACS Omega","2021","6","47","32285","32296","10.1021/acsomega.1c05241","","","1.54178","CuKα","","0.0428","0.0387","","","0.1033","0.1071","","","","","","1.042","","","","has coordinates,has disorder","271053","2021-12-03","21:39:07",""
"4519188","25.893","0.017","12.764","0.009","18.52","0.012","90","","132.228","0.017","90","","4532","5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H26 Fe2 N2 O10 -","- C16 H26 Fe2 N2 O10 -","- C128 H208 Fe16 N16 O80 -","8","1","","Severa, Godwin; Bruffey, Edward; Nguyen, Phuong Q. H.; Gigante, Angelina; Leick, Noemi; Kelly, Colleen; Finkelstein, Gregory J.; Hagemann, Hans; Gennett, Thomas; Rocheleau, Richard E.; Dera, Przemyslaw","Fe4(OAc)10[EMIM]2: Novel Iron-Based Acetate EMIM Ionic Compound","ACS Omega","2021","6","47","31907","31918","10.1021/acsomega.1c04670","","","0.56086","AgKα","","0.1355","0.076","","","0.1839","0.245","","","","","","1.075","","","","has coordinates","271054","2021-12-03","21:39:29",""
"4519189","9.0333","0.0013","10.5505","0.0015","12.4384","0.0018","70.784","0.005","88.387","0.006","81.848","0.006","1107.9","0.3","373","2","373","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H28 Fe2 N2 O11 -","- C16 H28 Fe2 N2 O11 -","- C32 H56 Fe4 N4 O22 -","2","1","","Severa, Godwin; Bruffey, Edward; Nguyen, Phuong Q. H.; Gigante, Angelina; Leick, Noemi; Kelly, Colleen; Finkelstein, Gregory J.; Hagemann, Hans; Gennett, Thomas; Rocheleau, Richard E.; Dera, Przemyslaw","Fe4(OAc)10[EMIM]2: Novel Iron-Based Acetate EMIM Ionic Compound","ACS Omega","2021","6","47","31907","31918","10.1021/acsomega.1c04670","","","0.56086","AgKα","","0.1799","0.1064","","","0.1941","0.2303","","","","","","1.083","","","","has coordinates","271055","2021-12-03","21:39:52",""
"4519252","10.344","0.0009","10.419","0.0011","10.58","0.0011","92.229","0.007","102.919","0.006","103.078","0.006","1077.74","0.19","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C20 H14 F6 N2 O6 -","- C20 H14 F6 N2 O6 -","- C40 H28 F12 N4 O12 -","2","1","","Mohan, Midhun; Essalhi, Mohamed; Zaye, Sarah; Rana, Love Karan; Maris, Thierry; Duong, Adam","Hydrogen Bond Patterns of Dipyridone and Bis(Hydroxypyridinium) Cations","ACS Omega","2021","6","51","35649","35656","10.1021/acsomega.1c05561","","x-ray","1.54178","CuKα","","0.0798","0.0661","","","0.2027","0.2128","","","","","","1.019","","","","has coordinates,has disorder","271747","2022-01-03","21:44:24",""
"4519253","13.2786","0.0015","3.7845","0.0005","14.135","0.0017","90","","104.613","0.007","90","","687.35","0.15","298.15","","298.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H15 N3 O4 -","- C15 H15 N3 O4 -","- C30 H30 N6 O8 -","2","0.5","","Mohan, Midhun; Essalhi, Mohamed; Zaye, Sarah; Rana, Love Karan; Maris, Thierry; Duong, Adam","Hydrogen Bond Patterns of Dipyridone and Bis(Hydroxypyridinium) Cations","ACS Omega","2021","6","51","35649","35656","10.1021/acsomega.1c05561","","","1.54178","CuKα","","0.0735","0.0654","","","0.1851","0.1995","","","","","","1.093","","","","has coordinates,has disorder","271748","2022-01-03","21:44:46",""
"4519254","8.5863","0.0003","11.2015","0.0004","20.1697","0.0007","90","","99.146","0.002","90","","1915.25","0.12","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H12 F6 N4 O6 -","- C18 H12 F6 N4 O6 -","- C72 H48 F24 N16 O24 -","4","1","","Mohan, Midhun; Essalhi, Mohamed; Zaye, Sarah; Rana, Love Karan; Maris, Thierry; Duong, Adam","Hydrogen Bond Patterns of Dipyridone and Bis(Hydroxypyridinium) Cations","ACS Omega","2021","6","51","35649","35656","10.1021/acsomega.1c05561","","x-ray","1.34139","GaKα","","0.0885","0.0664","","","0.1721","0.1901","","","","","","1.076","","","","has coordinates,has disorder","271749","2022-01-03","21:45:08",""
"4519255","23.34","0.02","9.228","0.006","16.238","0.011","90","","92.475","0.019","90","","3494","4","150","2","150","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C48 H44 O2 -","- C48 H44 O2 -","- C192 H176 O8 -","4","1","","Liu, Jiupeng; Tang, Shuo; Zhao, Mengyao; Huai, Jianing; Yu, Jingya; Zhao, Jingjing; Li, Pan","Reactivity of Vinyl Epoxides/Oxetanes/Cyclopropanes toward Arynes: Access to Functionalized Phenanthrenes","ACS Omega","2021","6","51","35852","35865","10.1021/acsomega.1c06166","","","0.71073","MoKα","","0.0935","0.0779","","","0.203","0.2132","","","","","","1.098","","","","has coordinates","271750","2022-01-03","21:45:33",""
"4519256","27.6855","0.0008","9.629","0.0003","9.1455","0.0003","90","","92.959","0.001","90","","2434.79","0.13","100.01","","100.01","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","CPC-Sn","","- C10.5 H19 Cl1.5 N0.5 Sn0.5 -","- C10.5 H19 Cl1.5 N0.5 Sn0.5 -","- C84 H152 Cl12 N4 Sn4 -","8","2","","Teoman, Baran; Muneeswaran, Zilma Pereira; Verma, Gaurav; Chen, Dailin; Brinzari, Tatiana V.; Almeda-Ahmadi, Allison; Norambuena, Javiera; Xu, Shaopeng; Ma, Shengqian; Boyd, Jeffrey M.; Armenante, Piero M.; Potanin, Andrei; Pan, Long; Asefa, Tewodros; Dubovoy, Viktor","Cetylpyridinium Trichlorostannate: Synthesis, Antimicrobial Properties, and Controlled-Release Properties via Electrical Resistance Tomography","ACS Omega","2021","6","51","35433","35441","10.1021/acsomega.1c04034","","x-ray","1.54178","CuKα","","0.0321","0.0287","","","0.0637","0.0658","","","","","","1.085","","","","has coordinates","271751","2022-01-03","21:45:58",""
"4519257","17.1405","0.0019","19.507","0.002","23.73","0.003","103.028","0.003","100.372","0.003","113.516","0.003","6756.7","1.4","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C20 H30 Ir2 Na3.5 O89 Sb2 W20 -","- C20 H30 Ir2 Na3.5 O89 Sb2 W20 -","- C40 H60 Ir4 Na7 O178 Sb4 W40 -","2","1","","Mougharbel, Ali S.; Ahmedi, Sihana; Bhattacharya, Saurav; Rajan, Ananthu; Kortz, Ulrich","Organorhodium(III)- and Iridium(III)-Substituted 20-Tungstobismuthates(III) and -Antimonates(III), [(MCp*)<sub>2</sub>X<sub>2</sub>W<sub>20</sub>O<sub>70</sub>]<sup>10-</sup> (M = Rh<sup>III</sup> and Ir<sup>III</sup>; X = Bi<sup>III</sup> and Sb<sup>III</sup>).","ACS omega","2021","6","50","34494","34500","10.1021/acsomega.1c04707","","","0.71073","MoKα","","0.1295","0.0752","","","0.2071","0.266","","","","","","1.066","","","","has coordinates","271752","2022-01-03","21:46:25",""
"4519258","17.1496","0.0017","19.521","0.002","23.72","0.003","103.05","0.003","99.932","0.003","113.932","0.003","6752.6","1.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C20 H30 Bi2 Ir2 Na5 O87 W20 -","- C20 H30 Bi2 Ir2 Na5 O87 W20 -","- C40 H60 Bi4 Ir4 Na10 O174 W40 -","2","1","","Mougharbel, Ali S.; Ahmedi, Sihana; Bhattacharya, Saurav; Rajan, Ananthu; Kortz, Ulrich","Organorhodium(III)- and Iridium(III)-Substituted 20-Tungstobismuthates(III) and -Antimonates(III), [(MCp*)<sub>2</sub>X<sub>2</sub>W<sub>20</sub>O<sub>70</sub>]<sup>10-</sup> (M = Rh<sup>III</sup> and Ir<sup>III</sup>; X = Bi<sup>III</sup> and Sb<sup>III</sup>).","ACS omega","2021","6","50","34494","34500","10.1021/acsomega.1c04707","","","0.71073","MoKα","","0.1089","0.0615","","","0.1559","0.1879","","","","","","1.034","","","","has coordinates","271753","2022-01-03","21:46:57",""
"4519259","13.6825","0.0007","13.7623","0.0007","18.3248","0.001","72.603","0.002","83.896","0.002","89.231","0.002","3273.5","0.3","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C20 H30 K2 Na3 O96 Rh2 Sb2 W20 -","- C20 H30 K2 Na3 O96 Rh2 Sb2 W20 -","- C20 H30 K2 Na3 O96 Rh2 Sb2 W20 -","1","0.5","","Mougharbel, Ali S.; Ahmedi, Sihana; Bhattacharya, Saurav; Rajan, Ananthu; Kortz, Ulrich","Organorhodium(III)- and Iridium(III)-Substituted 20-Tungstobismuthates(III) and -Antimonates(III), [(MCp*)<sub>2</sub>X<sub>2</sub>W<sub>20</sub>O<sub>70</sub>]<sup>10-</sup> (M = Rh<sup>III</sup> and Ir<sup>III</sup>; X = Bi<sup>III</sup> and Sb<sup>III</sup>).","ACS omega","2021","6","50","34494","34500","10.1021/acsomega.1c04707","","","0.71073","MoKα","","0.0498","0.0377","","","0.1042","0.11","","","","","","1.048","","","","has coordinates","271754","2022-01-03","21:47:17",""
"4519260","13.6643","0.0011","13.761","0.0011","18.2754","0.0014","72.177","0.002","84.281","0.002","88.693","0.002","3255.1","0.4","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C20 H30 Bi2 K Na4 O94 Rh2 W20 -","- C20 H30 Bi2 K Na4 O94 Rh2 W20 -","- C20 H30 Bi2 K Na4 O94 Rh2 W20 -","1","0.5","","Mougharbel, Ali S.; Ahmedi, Sihana; Bhattacharya, Saurav; Rajan, Ananthu; Kortz, Ulrich","Organorhodium(III)- and Iridium(III)-Substituted 20-Tungstobismuthates(III) and -Antimonates(III), [(MCp*)<sub>2</sub>X<sub>2</sub>W<sub>20</sub>O<sub>70</sub>]<sup>10-</sup> (M = Rh<sup>III</sup> and Ir<sup>III</sup>; X = Bi<sup>III</sup> and Sb<sup>III</sup>).","ACS omega","2021","6","50","34494","34500","10.1021/acsomega.1c04707","","","0.71073","MoKα","","0.0533","0.0375","","","0.0986","0.1061","","","","","","1.026","","","","has coordinates","271755","2022-01-03","21:47:33",""