# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-11-28T06:39:02+01:00
# Query:
# SELECT data.*
# FROM
#  data JOIN jaltnames
#  ON altname = journal
# WHERE
#  (status is null or status != 'retracted') and
#  (journal_id IN (SELECT DISTINCT(journal_id) FROM jaltnames WHERE altname LIKE 'ACS omega') AND volume = 3 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
"4515854","10.8541","0.0014","11.169","0.002","12.0753","0.0017","112.082","0.015","94.659","0.011","115.759","0.015","1168.1","0.4","150","0.1","150","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C25 H26 N2 O2 S2 -","- C25 H26 N2 O2 S2 -","- C50 H52 N4 O4 S4 -","2","1","","Gupta, Abhishek Kumar; Kumar, Ashwani; Singh, Ranjit; Devi, Manisha; Dhir, Abhimanew; Pradeep, Chullikkattil P.","Facile Synthesis of an Organic Solid State Near-Infrared-Emitter with Large Stokes Shift via Excited-State Intramolecular Proton Transfer.","ACS omega","2018","3","10","14341","14348","10.1021/acsomega.8b02116","","x-ray","0.71073","MoKα","","0.1491","0.0906","","","0.198","0.267","","","","","","0.961","","","","has coordinates","225954","2020-10-21","18:00:00",""
"4515855","10.0414","0.0004","15.0433","0.0006","15.5315","0.0006","93.055","0.003","107.51","0.004","106.789","0.004","2116.64","0.16","300","","300","","","","","","","","","5","P -1","-P 1","2","","","","- C23 H22 N2 O2 S2 -","- C23 H22 N2 O2 S2 -","- C92 H88 N8 O8 S8 -","4","2","","Gupta, Abhishek Kumar; Kumar, Ashwani; Singh, Ranjit; Devi, Manisha; Dhir, Abhimanew; Pradeep, Chullikkattil P.","Facile Synthesis of an Organic Solid State Near-Infrared-Emitter with Large Stokes Shift via Excited-State Intramolecular Proton Transfer.","ACS omega","2018","3","10","14341","14348","10.1021/acsomega.8b02116","","x-ray","1.54184","CuKα","","0.0606","0.0495","","","0.1576","0.1652","","","","","","1.139","","","","has coordinates","250444","2020-10-21","18:00:00",""
"4515856","5.2088","0.0003","9.272","0.0006","28.3737","0.0017","90","","90","","90","","1370.34","0.14","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H15 N O2 S -","- C15 H15 N O2 S -","- C60 H60 N4 O8 S4 -","4","1","","Gupta, Abhishek Kumar; Kumar, Ashwani; Singh, Ranjit; Devi, Manisha; Dhir, Abhimanew; Pradeep, Chullikkattil P.","Facile Synthesis of an Organic Solid State Near-Infrared-Emitter with Large Stokes Shift via Excited-State Intramolecular Proton Transfer.","ACS omega","2018","3","10","14341","14348","10.1021/acsomega.8b02116","","x-ray","1.54184","CuKα","","0.0681","0.0644","","","0.1756","0.1816","","","","","","1.036","","","","has coordinates","225956","2020-10-21","18:00:00",""
"4515857","16.9687","0.0007","9.905","0.0009","17.5869","0.001","90","","117.124","0.003","90","","2630.8","0.3","293","2","293","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H32 B N S2 -","- C28 H32 B N S2 -","- C112 H128 B4 N4 S8 -","4","1","","Li, Sheng-Yong; Sun, Zuo-Bang; Zhao, Cui-Hua","Impact of the 2,2'-Bithienyl Framework on the Charge-Transfer Emission of Triarylborane-Based o,o'-Substituted Biaryls.","ACS omega","2018","3","10","12730","12736","10.1021/acsomega.8b02004","","","0.71","MoKα","","0.0606","0.0518","","","0.1408","0.15","","","","","","1.098","","","","has coordinates","225957","2020-10-21","18:00:00",""
"4515858","8.0507","0.0005","16.79","0.001","25.3603","0.0012","90","","90","","90","","3428","0.3","298","2","298.15","","","","","","","","","5","P 21 c n","P -2n 2a","33","","","","- C40 H40 B N S2 -","- C40 H40 B N S2 -","- C160 H160 B4 N4 S8 -","4","1","","Li, Sheng-Yong; Sun, Zuo-Bang; Zhao, Cui-Hua","Impact of the 2,2'-Bithienyl Framework on the Charge-Transfer Emission of Triarylborane-Based o,o'-Substituted Biaryls.","ACS omega","2018","3","10","12730","12736","10.1021/acsomega.8b02004","","","0.71","MoKα","","0.061","0.0447","","","0.1054","0.1147","","","","","","1.038","","","","has coordinates","225958","2020-10-21","18:00:00",""
"4515859","27.173","0.009","18.901","0.006","23.601","0.012","90","","121.36","0.013","90","","10351","7","273","2","273","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C59 H44 Cl3 N2 O2 P2 Ru -","- C59 H44 Cl3 N2 O2 P2 Ru -","- C472 H352 Cl24 N16 O16 P16 Ru8 -","8","1","","Mondal, Sandip; Bera, Sachinath; Maity, Suvendu; Ghosh, Prasanta","Orthometalated <i>N</i>-(Benzophenoxazine)-<i>o</i>-aminophenol: Phenolato versus Phenoxyl States.","ACS omega","2018","3","10","13323","13334","10.1021/acsomega.8b01983","","","0.71073","MoKα","","0.1073","0.0631","","","0.1825","0.2238","","","","","","1.467","","","","has coordinates","225959","2020-10-21","18:00:00",""
"4515860","11.7693","0.0004","12.6976","0.0004","14.8599","0.0005","97.091","0.001","107.794","0.001","113.557","0.001","1859.94","0.11","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C41 H29 Br2 Cl2 N2 O2 Os P -","- C41 H29 Br2 Cl2 N2 O2 Os P -","- C82 H58 Br4 Cl4 N4 O4 Os2 P2 -","2","1","","Mondal, Sandip; Bera, Sachinath; Maity, Suvendu; Ghosh, Prasanta","Orthometalated <i>N</i>-(Benzophenoxazine)-<i>o</i>-aminophenol: Phenolato versus Phenoxyl States.","ACS omega","2018","3","10","13323","13334","10.1021/acsomega.8b01983","","","0.71073","MoKα","","0.0375","0.0335","","","0.1127","0.1198","","","","","","1.023","","","","has coordinates","225959","2020-10-21","18:00:00",""
"4515861","11.9432","0.0005","12.5744","0.0005","14.4985","0.0007","99.789","0.002","105.371","0.002","115.439","0.001","1792.33","0.14","141","2","141","2","","","","","","","","8","P -1","-P 1","2","","","","- C41 H29 Br2 Cl2 N2 O2 Os P -","- C41 H29 Br2 Cl2 N2 O2 Os P -","- C82 H58 Br4 Cl4 N4 O4 Os2 P2 -","2","1","","Mondal, Sandip; Bera, Sachinath; Maity, Suvendu; Ghosh, Prasanta","Orthometalated <i>N</i>-(Benzophenoxazine)-<i>o</i>-aminophenol: Phenolato versus Phenoxyl States.","ACS omega","2018","3","10","13323","13334","10.1021/acsomega.8b01983","","","0.71073","MoKα","","0.0432","0.0359","","","0.0876","0.0947","","","","","","0.99","","","","has coordinates","225959","2020-10-21","18:00:00",""
"4515862","19.593","0.005","17.367","0.005","18.153","0.005","90","0.005","108.269","0.005","90","0.005","5866","3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C67 H54 Cl2 N6 O8 Ru -","- C67 H54 Cl2 N6 O8 Ru -","- C268 H216 Cl8 N24 O32 Ru4 -","4","1","","Pal, Poulami; Mukherjee, Shruti; Maity, Dinesh; Baitalik, Sujoy","Synthesis, Photophysics, and Switchable Luminescence Properties of a New Class of Ruthenium(II)-Terpyridine Complexes Containing Photoisomerizable Styrylbenzene Units.","ACS omega","2018","3","10","14526","14537","10.1021/acsomega.8b01927","","","0.71073","MoKα","","0.0569","0.0419","","","0.1244","0.1339","","","","","","0.943","","","","has coordinates","225960","2020-10-21","18:00:00",""
"4515863","7.3587","0.0007","10.0065","0.0008","18.5152","0.001","90","","95.836","0.007","90","","1356.3","0.18","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H9 Br2 N3 -","- C14 H9 Br2 N3 -","- C56 H36 Br8 N12 -","4","1","","Chen, Zhengwang; Liang, Pei; Zheng, Jing; Zhou, Zhonggao; Wen, Xiaowei; Liu, Tanggao; Ye, Min","Cyanide-Free Ce(III)-Catalyzed Highly Efficient Synthesis of α-Iminonitriles from 2-Aminopyridines and Nitroalkenes via Intermolecular Dehydration Reaction.","ACS omega","2018","3","10","12520","12529","10.1021/acsomega.8b02214","","","0.71073","MoKα","","0.0807","0.044","","","0.0774","0.0915","","","","","","1.022","","","","has coordinates","225961","2020-10-21","18:00:00",""
"4515864","6.081","0.005","12.345","0.011","22.898","0.016","90","","93.02","0.02","90","","1717","2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","ethyl 5'-fluoro-3-(4-methoxyphenyl)-2'-oxospiro[cyclopropane-1,3'-indoline]-2-carboxylate","","- C20 H18 F N O4 -","- C20 H18 F N O4 -","- C80 H72 F4 N4 O16 -","4","1","","Ramu, Gopathi; Hari Krishna, Namballa; Pawar, Gaurav; Visweswara Sastry, K. N.; Nanubolu, Jagadeesh Babu; Nagendra Babu, Bathini","Solvent-Controlled, Tunable Domino Reaction of 3-Ylideneoxindoles with in Situ-Generated α-Aryldiazomethanes: A Facile Access to 3-Spirocyclopropyl-2-oxindole and Pyrazoloquinazolinone Scaffolds.","ACS omega","2018","3","10","12349","12360","10.1021/acsomega.8b01857","","","0.71073","MoKα","","0.1137","0.0643","","","0.1539","0.1784","","","","","","1.072","","","","has coordinates","225962","2020-10-21","18:00:00",""
"4515865","10.5066","0.0007","35.89","0.003","9.3401","0.0007","90","","103.633","0.004","90","","3422.8","0.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C38 H28 N8 O10 -","- C38 H28 N8 O10 -","- C152 H112 N32 O40 -","4","1","","Ramu, Gopathi; Hari Krishna, Namballa; Pawar, Gaurav; Visweswara Sastry, K. N.; Nanubolu, Jagadeesh Babu; Nagendra Babu, Bathini","Solvent-Controlled, Tunable Domino Reaction of 3-Ylideneoxindoles with in Situ-Generated α-Aryldiazomethanes: A Facile Access to 3-Spirocyclopropyl-2-oxindole and Pyrazoloquinazolinone Scaffolds.","ACS omega","2018","3","10","12349","12360","10.1021/acsomega.8b01857","","","0.71073","MoKα","","0.1255","0.0631","","","0.1484","0.1786","","","","","","1.011","","","","has coordinates,has disorder","225963","2020-10-21","18:00:00",""
"4515866","11.8035","0.0016","15.125","0.002","28.887","0.004","90","","90","","90","","5157.1","1.2","150","2","150","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C49 H60 Br2 Cl2 N8 O4 Pt2 -","- C49 H60 Br2 Cl2 N8 O4 Pt2 -","- C196 H240 Br8 Cl8 N32 O16 Pt8 -","4","0.5","","McCready, Matthew S.; Puddephatt, Richard J.","Supramolecular Organoplatinum(IV) Chemistry: Dimers and Polymers Formed by Intermolecular Hydrogen Bonding.","ACS omega","2018","3","10","13621","13629","10.1021/acsomega.8b01860","","","0.71073","MoKα","","0.1171","0.0637","","","0.1439","0.1692","","","","","","1.081","","","","has coordinates","225964","2020-10-21","18:00:00",""
"4515867","9.0266","0.0005","20.43","0.0009","14.744","0.0006","90","","94.271","0.004","90","","2711.4","0.2","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H33 Br N4 O2 Pt -","- C30 H33 Br N4 O2 Pt -","- C120 H132 Br4 N16 O8 Pt4 -","4","1","","McCready, Matthew S.; Puddephatt, Richard J.","Supramolecular Organoplatinum(IV) Chemistry: Dimers and Polymers Formed by Intermolecular Hydrogen Bonding.","ACS omega","2018","3","10","13621","13629","10.1021/acsomega.8b01860","","","0.71073","MoKα","","0.0893","0.0463","","","0.086","0.1","","","","","","1.005","","","","has coordinates","225964","2020-10-21","18:00:00",""
"4515868","10.258","0.002","10.484","0.002","16.122","0.003","80.57","0.03","80.05","0.03","72.63","0.03","1618.2","0.6","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C32 H37 Br Cl2 N4 O2 Pt -","- C32 H37 Br Cl2 N4 O2 Pt -","- C64 H74 Br2 Cl4 N8 O4 Pt2 -","2","1","","McCready, Matthew S.; Puddephatt, Richard J.","Supramolecular Organoplatinum(IV) Chemistry: Dimers and Polymers Formed by Intermolecular Hydrogen Bonding.","ACS omega","2018","3","10","13621","13629","10.1021/acsomega.8b01860","","","0.71073","MoKα","","0.0453","0.0389","","","0.1045","0.1209","","","","","","1.097","","","","has coordinates,has disorder","225964","2020-10-21","18:00:00",""
"4515869","18.083","0.003","12.964","0.002","8.3848","0.0014","90","","92.263","0.004","90","","1964.1","0.6","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H23 Br N4 Pt -","- C21 H23 Br N4 Pt -","- C84 H92 Br4 N16 Pt4 -","4","1","","McCready, Matthew S.; Puddephatt, Richard J.","Supramolecular Organoplatinum(IV) Chemistry: Dimers and Polymers Formed by Intermolecular Hydrogen Bonding.","ACS omega","2018","3","10","13621","13629","10.1021/acsomega.8b01860","","","0.71073","MoKα","","0.0873","0.0454","","","0.089","0.1036","","","","","","1.018","","","","has coordinates","225964","2020-10-21","18:00:00",""
"4515870","9.7737","0.0005","10.0964","0.0005","36.9181","0.0017","90","","97.239","0.002","90","","3614","0.3","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C32 H37 Br Cl5 N4 O2 Pt -","- C32 H37 Br Cl5 N4 O2 Pt -","- C128 H148 Br4 Cl20 N16 O8 Pt4 -","4","1","","McCready, Matthew S.; Puddephatt, Richard J.","Supramolecular Organoplatinum(IV) Chemistry: Dimers and Polymers Formed by Intermolecular Hydrogen Bonding.","ACS omega","2018","3","10","13621","13629","10.1021/acsomega.8b01860","","","0.71073","MoKα","","0.0791","0.0479","","","0.1028","0.116","","","","","","1.006","","","","has coordinates","225964","2020-10-21","18:00:00",""
"4515871","8.8735","0.0006","10.971","0.0006","17.8017","0.0011","94.577","0.004","93.652","0.004","113.547","0.004","1574.96","0.18","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C32 H40 B Br N4 O3 Pt -","- C32 H40 B Br N4 O3 Pt -","- C64 H80 B2 Br2 N8 O6 Pt2 -","2","1","","McCready, Matthew S.; Puddephatt, Richard J.","Supramolecular Organoplatinum(IV) Chemistry: Dimers and Polymers Formed by Intermolecular Hydrogen Bonding.","ACS omega","2018","3","10","13621","13629","10.1021/acsomega.8b01860","","","0.71073","MoKα","","0.0972","0.0592","","","0.1169","0.1329","","","","","","1.055","","","","has coordinates","225964","2020-10-21","18:00:00",""
"4515872","9.8253","0.0003","9.9194","0.0003","19.4252","0.0006","103.365","0.002","95.89","0.002","99.558","0.002","1796.64","0.1","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C37 H50 B Br N4 O4 Pt -","- C37 H50 B Br N4 O4 Pt -","- C74 H100 B2 Br2 N8 O8 Pt2 -","2","1","","McCready, Matthew S.; Puddephatt, Richard J.","Supramolecular Organoplatinum(IV) Chemistry: Dimers and Polymers Formed by Intermolecular Hydrogen Bonding.","ACS omega","2018","3","10","13621","13629","10.1021/acsomega.8b01860","","","0.71073","MoKα","","0.0724","0.0449","","","0.0834","0.0926","","","","","","1.042","","","","has coordinates","225964","2020-10-21","18:00:00",""
"4515873","12.59","0.03","19.81","0.05","18.88","0.04","90","","97.17","0.02","90","","4672","19","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H17 N3 O4 S3 -","- C23 H17 N3 O4 S3 -","- C184 H136 N24 O32 S24 -","8","2","","Singsardar, Mukta; Mondal, Susmita; Sarkar, Rajib; Hajra, Alakananda","(Diacetoxy)iodobenzene-Mediated Regioselective Imidation of Imidazoheterocycles with <i>N</i>-Fluorobenzenesulfonimide.","ACS omega","2018","3","10","12505","12512","10.1021/acsomega.8b02088","","","0.71073","MoKα","","0.1507","0.0931","","","0.2481","0.293","","","","","","1.803","","","","has coordinates","225965","2020-10-21","18:00:00",""
"4515874","20.702","0.002","20.702","0.002","16.158","0.002","90","","90","","120","","5997.1","1.1","200","2","200","2","","","","","","","","6","P 63/m","-P 6c","176","","","","- C27 H45 Cl Mo3 O10 S4 -","- C27 H46 Cl Mo3 O10 S4 -","- C162 H276 Cl6 Mo18 O60 S24 -","6","0.5","","Fu, Dong; Fabre, Bruno; Loget, Gabriel; Mériadec, Cristelle; Ababou-Girard, Soraya; Cadot, Emmanuel; Leclerc-Laronze, Nathalie; Marrot, Jérôme; de Ponfilly, Quentin","Polyoxothiometalate-Derivatized Silicon Photocathodes for Sunlight-Driven Hydrogen Evolution Reaction.","ACS omega","2018","3","10","13837","13849","10.1021/acsomega.8b01734","","","0.71073","MoKα","","0.0566","0.05","","","0.1298","0.1353","","","","","","1.147","","","","has coordinates","225966","2020-10-21","18:00:00",""
"4515875","31.177","0.003","6.1229","0.0005","14.3335","0.0012","90","","113.771","0.002","90","","2504","0.4","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","N-Phenylformamide","N-Phenylformamide","","- C7 H7 N O -","- C7 H7 N O -","- C112 H112 N16 O16 -","16","2","","Pagliari, Anderson B.; Orlando, Tainára; Salbego, Paulo R. S.; Zimmer, Geórgia C; Hörner, Manfredo; Zanatta, Nilo; Bonacorso, Helio G.; Martins, Marcos A. P.","Supramolecular Packing of a Series of <i>N</i>-Phenylamides and the Role of NH···O=C Interactions.","ACS omega","2018","3","10","13850","13861","10.1021/acsomega.8b01801","","","0.71073","MoKα","","0.0628","0.0396","","","0.0967","0.1099","","","","","","1.031","","","","has coordinates","225967","2020-10-21","18:00:00",""
"4515876","5.1753","0.0014","19.084","0.004","8.2765","0.0018","90","","90.302","0.009","90","","817.4","0.3","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","2,2,2-trifluoro-N-phenylacetamide","2,2,2-trifluoro-N-phenylacetamide","","- C8 H6 F3 N O -","- C8 H6 F3 N O -","- C32 H24 F12 N4 O4 -","4","2","","Pagliari, Anderson B.; Orlando, Tainára; Salbego, Paulo R. S.; Zimmer, Geórgia C; Hörner, Manfredo; Zanatta, Nilo; Bonacorso, Helio G.; Martins, Marcos A. P.","Supramolecular Packing of a Series of <i>N</i>-Phenylamides and the Role of NH···O=C Interactions.","ACS omega","2018","3","10","13850","13861","10.1021/acsomega.8b01801","","x-ray","0.71073","MoKα","","0.1606","0.0818","","","0.1846","0.2344","","","","","","1.052","","","","has coordinates","225968","2020-10-21","18:00:00",""
"4515877","9.969","0.003","10.642","0.003","10.172","0.003","90","","90","","90","","1079.1","0.5","298","2","298","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","N-(Phenyl)-2,2,2-trimethylacetamide","","- C11 H15 N O -","- C11 H15 N O -","- C44 H60 N4 O4 -","4","1","","Pagliari, Anderson B.; Orlando, Tainára; Salbego, Paulo R. S.; Zimmer, Geórgia C; Hörner, Manfredo; Zanatta, Nilo; Bonacorso, Helio G.; Martins, Marcos A. P.","Supramolecular Packing of a Series of <i>N</i>-Phenylamides and the Role of NH···O=C Interactions.","ACS omega","2018","3","10","13850","13861","10.1021/acsomega.8b01801","","","0.71069","MoKα","","0.0387","0.0368","","","0.0902","0.0924","","","","","","1.123","","","","has coordinates","225969","2020-10-21","18:00:00",""
"4515878","9.371","0.0009","7.7868","0.0008","19.5301","0.0019","90","","90","","90","","1425.1","0.2","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","acetanilide","","","- C8 H9 N O -","- C8 H9 N O -","- C64 H72 N8 O8 -","8","1","","Pagliari, Anderson B.; Orlando, Tainára; Salbego, Paulo R. S.; Zimmer, Geórgia C; Hörner, Manfredo; Zanatta, Nilo; Bonacorso, Helio G.; Martins, Marcos A. P.","Supramolecular Packing of a Series of <i>N</i>-Phenylamides and the Role of NH···O=C Interactions.","ACS omega","2018","3","10","13850","13861","10.1021/acsomega.8b01801","","x-ray","0.71073","MoKα","","0.067","0.025","","","","0.042","0.028","","","","","1.314","","","","has coordinates","225970","2020-10-21","18:00:00",""
"4515879","5.352","0.006","7.971","0.008","12.471","0.013","73.23","0.02","79.202","0.019","89.85","0.02","499.6","0.9","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H11 N O -","- C13 H11 N O -","- C26 H22 N2 O2 -","2","1","","Pagliari, Anderson B.; Orlando, Tainára; Salbego, Paulo R. S.; Zimmer, Geórgia C; Hörner, Manfredo; Zanatta, Nilo; Bonacorso, Helio G.; Martins, Marcos A. P.","Supramolecular Packing of a Series of <i>N</i>-Phenylamides and the Role of NH···O=C Interactions.","ACS omega","2018","3","10","13850","13861","10.1021/acsomega.8b01801","","","0.71073","MoKα","","0.084","0.0646","","","0.177","0.1886","","","","","","0.96","","","","has coordinates","225971","2020-10-21","18:00:00",""
"4515880","10.1863","0.0008","9.1483","0.0007","11.8856","0.0009","90","","90","","90","","1107.59","0.15","299","2","299","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","2,2,2-Tribromo-<i>N</i>-phenylacetamide","","- C8 H6 Br3 N O -","- C8 H6 Br3 N O -","- C32 H24 Br12 N4 O4 -","4","1","","Pagliari, Anderson B.; Orlando, Tainára; Salbego, Paulo R. S.; Zimmer, Geórgia C; Hörner, Manfredo; Zanatta, Nilo; Bonacorso, Helio G.; Martins, Marcos A. P.","Supramolecular Packing of a Series of <i>N</i>-Phenylamides and the Role of NH···O=C Interactions.","ACS omega","2018","3","10","13850","13861","10.1021/acsomega.8b01801","","","1.5418","CuKα","","0.0818","0.0792","","","0.2325","0.2372","","","","","","1.053","","","","has coordinates","225972","2020-10-21","18:00:00",""
"4515881","12.3716","0.0006","9.6865","0.0003","20.7826","0.0013","90","","105.941","0.006","90","","2394.8","0.2","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C21 H22 N4 Ni O5 Pb S2 -","- C21 H22 N4 Ni O5 Pb S2 -","- C84 H88 N16 Ni4 O20 Pb4 S8 -","4","1","","Roy, Sourav; Halder, Soumi; Drew, Michael G. B.; Ray, Partha Pratim; Chattopadhyay, Shouvik","Fabrication of an Active Electronic Device Using a Hetero-bimetallic Coordination Polymer.","ACS omega","2018","3","10","12788","12796","10.1021/acsomega.8b02025","","","0.71073","MoKα","","0.0798","0.0538","","","0.0916","0.0987","","","","","","1.094","","","","has coordinates","225973","2020-10-21","18:00:00",""
"4515882","10.60195","0.00019","10.75301","0.00019","11.3032","0.0002","59.987","0.001","80.147","0.001","88.894","0.001","1096.03","0.04","123","2","123","2","","","","","","","","3","P -1","-P 1","2","3C(alpha)","","","- C24 H28 O8 -","- C24 H28 O8 -","- C48 H56 O16 -","2","1","","Nomura, Eisaku; Noda, Takumi; Gomi, Daiki; Mori, Hajime","Substituent Effect on the Formation of Arylindanes by Dimerization of Ferulic Acid and its Related Compounds.","ACS omega","2018","3","10","12746","12753","10.1021/acsomega.8b01953","","","1.54187","CuKα","","0.0926","0.0759","","","0.1905","0.2","","","","","","1.068","","","","has coordinates","225974","2020-10-21","18:00:00",""
"4515883","8.7988","0.00016","10.50228","0.00019","13.8851","0.0003","89.745","0.001","76.69","0.001","79.141","0.001","1225.25","0.04","296","2","296","2","","","","","","","","3","P -1","-P 1","2","5b","","","- C26 H32 O10 -","- C26 H32 O10 -","- C52 H64 O20 -","2","1","","Nomura, Eisaku; Noda, Takumi; Gomi, Daiki; Mori, Hajime","Substituent Effect on the Formation of Arylindanes by Dimerization of Ferulic Acid and its Related Compounds.","ACS omega","2018","3","10","12746","12753","10.1021/acsomega.8b01953","","","1.54187","CuKα","","0.0527","0.0435","","","0.1183","0.127","","","","","","1.07","","","","has coordinates","225975","2020-10-21","18:00:00",""
"4515884","13.5461","0.0018","25.518","0.003","47.112","0.006","90","","94.719","0.003","90","","16230","4","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C62 H34 Cl2 Co15 N2 O38 Pd9 -","- C62 H34 Cl2 Co15 N2 O38 Pd9 -","- C496 H272 Cl16 Co120 N16 O304 Pd72 -","8","2","","Berti, Beatrice; Ciabatti, Iacopo; Femoni, Cristina; Iapalucci, Maria Carmela; Zacchini, Stefano","Cluster Core Isomerism Induced by Crystal Packing Effects in the [HCo<sub>15</sub>Pd<sub>9</sub>C<sub>3</sub>(CO)<sub>38</sub>]<sup>2-</sup> Molecular Nanocluster.","ACS omega","2018","3","10","13239","13250","10.1021/acsomega.8b02109","","","0.71073","MoKα","","0.1101","0.086","","","0.1491","0.1582","","","","","","1.248","","","","has coordinates,has disorder","225976","2020-10-21","18:00:00",""
"4515885","25.9095","0.0015","12.7628","0.0007","25.9267","0.0015","90","","90","","90","","8573.4","0.8","100","2","100","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C63 H36 Cl4 Co15 N2 O38 Pd9 -","- C63 H36 Cl4 Co15 N2 O38 Pd9 -","- C252 H144 Cl16 Co60 N8 O152 Pd36 -","4","1","","Berti, Beatrice; Ciabatti, Iacopo; Femoni, Cristina; Iapalucci, Maria Carmela; Zacchini, Stefano","Cluster Core Isomerism Induced by Crystal Packing Effects in the [HCo<sub>15</sub>Pd<sub>9</sub>C<sub>3</sub>(CO)<sub>38</sub>]<sup>2-</sup> Molecular Nanocluster.","ACS omega","2018","3","10","13239","13250","10.1021/acsomega.8b02109","","","0.71073","MoKα","","0.118","0.1166","","","0.3128","0.3135","","","","","","1.174","","","","has coordinates,has disorder","225976","2020-10-21","18:00:00",""
"4515886","12.9658","0.0007","36.928","0.002","18.5192","0.001","90","","98.141","0.003","90","","8777.7","0.8","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C68 H46 Cl2 Co15 N2 O38 Pd9 -","- C68 H46 Cl2 Co15 N2 O38 Pd9 -","- C272 H184 Cl8 Co60 N8 O152 Pd36 -","4","1","","Berti, Beatrice; Ciabatti, Iacopo; Femoni, Cristina; Iapalucci, Maria Carmela; Zacchini, Stefano","Cluster Core Isomerism Induced by Crystal Packing Effects in the [HCo<sub>15</sub>Pd<sub>9</sub>C<sub>3</sub>(CO)<sub>38</sub>]<sup>2-</sup> Molecular Nanocluster.","ACS omega","2018","3","10","13239","13250","10.1021/acsomega.8b02109","","","0.71073","MoKα","","0.0396","0.0303","","","0.0678","0.0724","","","","","","1.065","","","","has coordinates,has disorder","225976","2020-10-21","18:00:00",""
"4515887","13.0934","0.0006","37.1883","0.0017","18.6966","0.0009","90","","97.344","0.002","90","","9029.1","0.7","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C68 H46 Cl2 Co15 N2 O38 Pd9 -","- C68 H46 Cl2 Co15 N2 O38 Pd9 -","- C272 H184 Cl8 Co60 N8 O152 Pd36 -","4","1","","Berti, Beatrice; Ciabatti, Iacopo; Femoni, Cristina; Iapalucci, Maria Carmela; Zacchini, Stefano","Cluster Core Isomerism Induced by Crystal Packing Effects in the [HCo<sub>15</sub>Pd<sub>9</sub>C<sub>3</sub>(CO)<sub>38</sub>]<sup>2-</sup> Molecular Nanocluster.","ACS omega","2018","3","10","13239","13250","10.1021/acsomega.8b02109","","","0.71073","MoKα","","0.0916","0.0539","","","0.119","0.1359","","","","","","1.031","","","","has coordinates,has disorder","225976","2020-10-21","18:00:00",""
"4515888","12.6823","0.0007","12.8975","0.0007","30.7793","0.0018","95.725","0.003","98.686","0.003","94.004","0.003","4933.5","0.5","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C81.5 H41 Cl5 Co15 O38 P2 Pd9 -","- C81.5 H41 Cl5 Co15 O38 P2 Pd9 -","- C163 H82 Cl10 Co30 O76 P4 Pd18 -","2","1","","Berti, Beatrice; Ciabatti, Iacopo; Femoni, Cristina; Iapalucci, Maria Carmela; Zacchini, Stefano","Cluster Core Isomerism Induced by Crystal Packing Effects in the [HCo<sub>15</sub>Pd<sub>9</sub>C<sub>3</sub>(CO)<sub>38</sub>]<sup>2-</sup> Molecular Nanocluster.","ACS omega","2018","3","10","13239","13250","10.1021/acsomega.8b02109","","","0.71073","MoKα","","0.0658","0.0502","","","0.1319","0.1435","","","","","","1.032","","","","has coordinates,has disorder","225976","2020-10-21","18:00:00",""
"4515889","13.0138","0.0007","13.0903","0.0007","31.023","0.0016","96.767","0.003","99.948","0.003","93.099","0.003","5154.2","0.5","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C81.5 H41 Cl5 Co15 O38 P2 Pd9 -","- C81.5 H41 Cl5 Co15 O38 P2 Pd9 -","- C163 H82 Cl10 Co30 O76 P4 Pd18 -","2","1","","Berti, Beatrice; Ciabatti, Iacopo; Femoni, Cristina; Iapalucci, Maria Carmela; Zacchini, Stefano","Cluster Core Isomerism Induced by Crystal Packing Effects in the [HCo<sub>15</sub>Pd<sub>9</sub>C<sub>3</sub>(CO)<sub>38</sub>]<sup>2-</sup> Molecular Nanocluster.","ACS omega","2018","3","10","13239","13250","10.1021/acsomega.8b02109","","","0.71073","MoKα","","0.0685","0.0496","","","0.1252","0.1367","","","","","","1.051","","","","has coordinates,has disorder","225976","2020-10-21","18:00:00",""
"4515890","18.8375","0.0014","18.8375","0.0014","22.4956","0.0019","90","","90","","120","","6913.1","0.9","100","2","100","2","","","","","","","","6","R 3 :H","R 3","146","","","","- C79 H36 Co15 O38 P2 Pd9 -","- C79 H35.9994 Co15 O38 P2 Pd9 -","- C237 H107.998 Co45 O114 P6 Pd27 -","3","0.333333","","Berti, Beatrice; Ciabatti, Iacopo; Femoni, Cristina; Iapalucci, Maria Carmela; Zacchini, Stefano","Cluster Core Isomerism Induced by Crystal Packing Effects in the [HCo<sub>15</sub>Pd<sub>9</sub>C<sub>3</sub>(CO)<sub>38</sub>]<sup>2-</sup> Molecular Nanocluster.","ACS omega","2018","3","10","13239","13250","10.1021/acsomega.8b02109","","","0.71073","MoKα","","0.038","0.0307","","","0.0698","0.0743","","","","","","1.007","","","","has coordinates","225976","2020-10-21","18:00:00",""
"4515891","18.9827","0.0005","18.9827","0.0005","22.7666","0.0014","90","","90","","120","","7104.7","0.5","293","2","293","2","","","","","","","","6","R 3 :H","R 3","146","","","","- C79 H36 Co15 O38 P2 Pd9 -","- C79 H35.9994 Co15 O38 P2 Pd9 -","- C237 H107.998 Co45 O114 P6 Pd27 -","3","0.333333","","Berti, Beatrice; Ciabatti, Iacopo; Femoni, Cristina; Iapalucci, Maria Carmela; Zacchini, Stefano","Cluster Core Isomerism Induced by Crystal Packing Effects in the [HCo<sub>15</sub>Pd<sub>9</sub>C<sub>3</sub>(CO)<sub>38</sub>]<sup>2-</sup> Molecular Nanocluster.","ACS omega","2018","3","10","13239","13250","10.1021/acsomega.8b02109","","","0.71073","MoKα","","0.0497","0.0387","","","0.0935","0.1017","","","","","","1.034","","","","has coordinates","225976","2020-10-21","18:00:00",""
"4515892","12.7371","0.0009","13.5459","0.001","28.843","0.002","93.292","0.002","93.675","0.002","111.909","0.002","4589.7","0.6","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C72 H50 Cl2 Co15 N3 O38 Pd9 -","- C72 H50 Cl2 Co15 N3 O38 Pd9 -","- C144 H100 Cl4 Co30 N6 O76 Pd18 -","2","1","","Berti, Beatrice; Ciabatti, Iacopo; Femoni, Cristina; Iapalucci, Maria Carmela; Zacchini, Stefano","Cluster Core Isomerism Induced by Crystal Packing Effects in the [HCo<sub>15</sub>Pd<sub>9</sub>C<sub>3</sub>(CO)<sub>38</sub>]<sup>2-</sup> Molecular Nanocluster.","ACS omega","2018","3","10","13239","13250","10.1021/acsomega.8b02109","","","0.71073","MoKα","","0.1008","0.0632","","","0.1163","0.1285","","","","","","1.06","","","","has coordinates,has disorder","225976","2020-10-21","18:00:00",""
"4515893","39.915","0.003","12.8254","0.0008","17.5401","0.0011","90","","90","","90","","8979.2","1","100","2","100","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C72 H50 Cl2 Co15 N3 O38 Pd9 -","- C72 H50 Cl2 Co15 N3 O38 Pd9 -","- C288 H200 Cl8 Co60 N12 O152 Pd36 -","4","1","","Berti, Beatrice; Ciabatti, Iacopo; Femoni, Cristina; Iapalucci, Maria Carmela; Zacchini, Stefano","Cluster Core Isomerism Induced by Crystal Packing Effects in the [HCo<sub>15</sub>Pd<sub>9</sub>C<sub>3</sub>(CO)<sub>38</sub>]<sup>2-</sup> Molecular Nanocluster.","ACS omega","2018","3","10","13239","13250","10.1021/acsomega.8b02109","","","0.71073","MoKα","","0.0354","0.0342","","","0.0805","0.081","","","","","","1.104","","","","has coordinates,has disorder","225976","2020-10-21","18:00:00",""
"4515894","12.7433","0.0012","16.7009","0.0016","28.227","0.003","90.39","0.002","94.828","0.002","112.141","0.002","5539.8","1","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C99 H56 Cl2 Co15 O38 P3 Pd9 -","- C99 H56 Cl2 Co15 O38 P3 Pd9 -","- C198 H112 Cl4 Co30 O76 P6 Pd18 -","2","1","","Berti, Beatrice; Ciabatti, Iacopo; Femoni, Cristina; Iapalucci, Maria Carmela; Zacchini, Stefano","Cluster Core Isomerism Induced by Crystal Packing Effects in the [HCo<sub>15</sub>Pd<sub>9</sub>C<sub>3</sub>(CO)<sub>38</sub>]<sup>2-</sup> Molecular Nanocluster.","ACS omega","2018","3","10","13239","13250","10.1021/acsomega.8b02109","","","0.71073","MoKα","","0.0492","0.0362","","","0.0654","0.0686","","","","","","1.058","","","","has coordinates,has disorder","225976","2020-10-21","18:00:00",""
"4515895","11.9099","0.0007","21.2639","0.0013","25.6686","0.0015","114.096","0.001","90.729","0.001","100.805","0.001","5800","0.6","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C43 H18 Cl2 Co13 N O29 Pd3 -","- C43 H18 Cl2 Co13 N O29 Pd3 -","- C172 H72 Cl8 Co52 N4 O116 Pd12 -","4","2","","Berti, Beatrice; Ciabatti, Iacopo; Femoni, Cristina; Iapalucci, Maria Carmela; Zacchini, Stefano","Cluster Core Isomerism Induced by Crystal Packing Effects in the [HCo<sub>15</sub>Pd<sub>9</sub>C<sub>3</sub>(CO)<sub>38</sub>]<sup>2-</sup> Molecular Nanocluster.","ACS omega","2018","3","10","13239","13250","10.1021/acsomega.8b02109","","","0.71073","MoKα","","0.0601","0.0401","","","0.0729","0.0783","","","","","","1.057","","","","has coordinates","225976","2020-10-21","18:00:00",""
"4515896","11.3488","0.0004","13.6232","0.0004","14.1177","0.0005","62.07","0.002","79.979","0.002","69.75","0.002","1809.07","0.11","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C58 H72 Co8 N2 O24 Pd4 -","- C58 H72 Co8 N2 O24 Pd4 -","- C58 H72 Co8 N2 O24 Pd4 -","1","0.5","","Berti, Beatrice; Ciabatti, Iacopo; Femoni, Cristina; Iapalucci, Maria Carmela; Zacchini, Stefano","Cluster Core Isomerism Induced by Crystal Packing Effects in the [HCo<sub>15</sub>Pd<sub>9</sub>C<sub>3</sub>(CO)<sub>38</sub>]<sup>2-</sup> Molecular Nanocluster.","ACS omega","2018","3","10","13239","13250","10.1021/acsomega.8b02109","","","0.71073","MoKα","","0.0643","0.0435","","","0.1074","0.1253","","","","","","1.05","","","","has coordinates,has disorder","225976","2020-10-21","18:00:00",""
"4515897","11.4009","0.0016","13.94","0.002","14.213","0.002","62.21","0.002","78.778","0.002","69.642","0.002","1872.1","0.5","292","2","292","2","","","","","","","","6","P -1","-P 1","2","","","","- C58 H72 Co8 N2 O24 Pt4 -","- C58 H72 Co7.992 N2 O24 Pt4.008 -","- C58 H72 Co7.992 N2 O24 Pt4.008 -","1","0.5","","Berti, Beatrice; Ciabatti, Iacopo; Femoni, Cristina; Iapalucci, Maria Carmela; Zacchini, Stefano","Cluster Core Isomerism Induced by Crystal Packing Effects in the [HCo<sub>15</sub>Pd<sub>9</sub>C<sub>3</sub>(CO)<sub>38</sub>]<sup>2-</sup> Molecular Nanocluster.","ACS omega","2018","3","10","13239","13250","10.1021/acsomega.8b02109","","","0.71073","MoKα","","0.074","0.0508","","","0.1415","0.1576","","","","","","1.044","","","","has coordinates","225976","2020-10-21","18:00:00",""
"4515898","4.034","0.0003","13.7987","0.0013","8.7445","0.0007","90","","97.123","0.001","90","","483","0.07","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C0 H0 Cl3 Cu K -","- Cl3 Cu K -","- Cl12 Cu4 K4 -","4","1","","Zhou, Huawei; Liu, Xuejing; He, Guohang; Fan, Lin; Shi, Shaozhen; Wei, Jiazhen; Xu, Wenli; Yuan, Cang; Chai, Ning; Chen, Baoli; Zhang, Yingtian; Zhang, Xianxi; Zhao, Jinsheng; Wei, Xinting; Yin, Jie; Tian, Dongxu","Synthesis, Crystal Structure, UV-Vis Adsorption Properties, Photoelectric Behavior, and DFT Computational Study of All-Inorganic and Lead-Free Copper Halide Salt K<sub>2</sub>Cu<sub>2</sub>Cl<sub>6</sub>.","ACS omega","2018","3","10","14021","14026","10.1021/acsomega.8b01337","","","0.71073","MoKα","","0.0467","0.0429","","","0.1081","0.1128","","","","","","0.842","","","","has coordinates","225977","2020-10-21","18:00:00",""
"4515899","10.08","0.0004","17.9664","0.0008","12.4991","0.0006","90","","96.773","0.002","90","","2247.81","0.17","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C38 H36 Cl4 Cu2 N8 O12 Zn2 -","- C38 H36 Cl4 Cu2 N8 O12 Zn2 -","- C76 H72 Cl8 Cu4 N16 O24 Zn4 -","2","0.5","","Majumder, Ishani; Chakraborty, Prateeti; Álvarez, Raquel; Gonzalez-Diaz, Myriam; Peláez, Rafael; Ellahioui, Younes; Bauza, Antonio; Frontera, Antonio; Zangrando, Ennio; Gómez-Ruiz, Santiago; Das, Debasis","Bioactive Heterometallic Cu<sup>II</sup>-Zn<sup>II</sup> Complexes with Potential Biomedical Applications.","ACS omega","2018","3","10","13343","13353","10.1021/acsomega.8b01260","","","0.71073","MoKα","","0.0427","0.033","","","0.0826","0.0879","","","","","","1.03","","","","has coordinates","225978","2020-10-21","18:00:00",""
"4515900","10.3783","0.0018","20.893","0.004","10.1906","0.0018","90","","106.224","0.002","90","","2121.7","0.7","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C42 H36 Cl4 Cu2 N10 O4 Zn -","- C42 H36 Cl4 Cu2 N10 O4 Zn -","- C84 H72 Cl8 Cu4 N20 O8 Zn2 -","2","0.5","","Majumder, Ishani; Chakraborty, Prateeti; Álvarez, Raquel; Gonzalez-Diaz, Myriam; Peláez, Rafael; Ellahioui, Younes; Bauza, Antonio; Frontera, Antonio; Zangrando, Ennio; Gómez-Ruiz, Santiago; Das, Debasis","Bioactive Heterometallic Cu<sup>II</sup>-Zn<sup>II</sup> Complexes with Potential Biomedical Applications.","ACS omega","2018","3","10","13343","13353","10.1021/acsomega.8b01260","","","0.71073","MoKα","","0.0714","0.0452","","","0.1111","0.121","","","","","","1.009","","","","has coordinates","225980","2020-10-21","18:00:00",""
"4515901","10.0431","0.0009","19.9558","0.0019","11.4121","0.0011","90","","111.678","0.003","90","","2125.4","0.3","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C38 H36 Cl4 Cu2 N6 O11 Zn -","- C38 H36 Cl4 Cu2 N6 O11 Zn -","- C76 H72 Cl8 Cu4 N12 O22 Zn2 -","2","0.5","","Majumder, Ishani; Chakraborty, Prateeti; Álvarez, Raquel; Gonzalez-Diaz, Myriam; Peláez, Rafael; Ellahioui, Younes; Bauza, Antonio; Frontera, Antonio; Zangrando, Ennio; Gómez-Ruiz, Santiago; Das, Debasis","Bioactive Heterometallic Cu<sup>II</sup>-Zn<sup>II</sup> Complexes with Potential Biomedical Applications.","ACS omega","2018","3","10","13343","13353","10.1021/acsomega.8b01260","","","0.71073","MoKα","","0.0591","0.0402","","","0.0911","0.1003","","","","","","1.045","","","","has coordinates,has disorder","225981","2020-10-21","18:00:00",""
"4515902","9.7807","0.0016","16.605","0.003","13.616","0.002","90","","90.203","0.002","90","","2211.3","0.6","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C38 H36 Cl8 Cu2 N4 O4 Zn2 -","- C38 H36 Cl8 Cu2 N4 O4 Zn2 -","- C76 H72 Cl16 Cu4 N8 O8 Zn4 -","2","0.5","","Majumder, Ishani; Chakraborty, Prateeti; Álvarez, Raquel; Gonzalez-Diaz, Myriam; Peláez, Rafael; Ellahioui, Younes; Bauza, Antonio; Frontera, Antonio; Zangrando, Ennio; Gómez-Ruiz, Santiago; Das, Debasis","Bioactive Heterometallic Cu<sup>II</sup>-Zn<sup>II</sup> Complexes with Potential Biomedical Applications.","ACS omega","2018","3","10","13343","13353","10.1021/acsomega.8b01260","","","0.71073","MoKα","","0.0659","0.0425","","","0.1","0.11","","","","","","1.042","","","","has coordinates","225982","2020-10-21","18:00:00",""
"4515903","6.9256","0.0003","23.3181","0.001","11.7998","0.0005","90","","103.829","0.002","90","","1850.34","0.14","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C19 H18 Cl2 Cu N2 O2 -","- C19 H18 Cl2 Cu N2 O2 -","- C76 H72 Cl8 Cu4 N8 O8 -","4","1","","Majumder, Ishani; Chakraborty, Prateeti; Álvarez, Raquel; Gonzalez-Diaz, Myriam; Peláez, Rafael; Ellahioui, Younes; Bauza, Antonio; Frontera, Antonio; Zangrando, Ennio; Gómez-Ruiz, Santiago; Das, Debasis","Bioactive Heterometallic Cu<sup>II</sup>-Zn<sup>II</sup> Complexes with Potential Biomedical Applications.","ACS omega","2018","3","10","13343","13353","10.1021/acsomega.8b01260","","","0.71073","MoKα","","0.0603","0.0455","","","0.1261","0.138","","","","","","1.033","","","","has coordinates","225983","2020-10-21","18:00:00",""
"4515904","13.0575","0.0014","17.6855","0.0019","17.644","0.002","90","","103.694","0.009","90","","3958.7","0.8","173","2","173","2","","","","","","","","6","I 1 a 1","I -2ya","9","","","","- C41 H45 F6 N4 O4 P -","- C41 H45 F6 N4 O4 P -","- C164 H180 F24 N16 O16 P4 -","4","1","","Greenlee, Andrew J.; Ofosu, Charles K.; Xiao, Qifan; Modan, Mohammed M.; Janzen, Daron E.; Cao, Dennis D.","Pyridinium-Functionalized Pyromellitic Diimides with Stabilized Radical Anion States.","ACS omega","2018","3","1","240","245","10.1021/acsomega.7b01887","","","0.71075","MoKα","","0.052","0.0465","","","0.1179","0.1218","","","","","","1.031","","","","has coordinates","225984","2020-10-21","18:00:00",""
"4515905","21.969","0.004","17.259","0.003","20.669","0.003","90","","96.021","0.002","90","","7794","2","297","","297","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C19 H25 N3 O5 -","- C19 H25 N3 O5 -","- C304 H400 N48 O80 -","16","2","","Hu, Xing-Mei; Luo, Da-Yun; Zi, Quan-Xing; Lin, Jun; Yan, Sheng-Jiao","Diastereoselective Synthesis of Morphan Derivatives by Michael and Hetero-Michael Addition of 1,1-Enediamines to Quinone Monoketals.","ACS omega","2018","3","1","8","21","10.1021/acsomega.7b01493","","","0.71073","MoKα","","0.1522","0.0643","","","0.1321","0.1639","","","","","","0.995","","","","has coordinates,has disorder","225985","2020-10-21","18:00:00",""
"4515906","7.372","0.002","19.312","0.006","13.785","0.004","90","","105.509","0.003","90","","1891.1","1","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H22 Cl N3 O5 -","- C18 H22 Cl N3 O5 -","- C72 H88 Cl4 N12 O20 -","4","1","","Hu, Xing-Mei; Luo, Da-Yun; Zi, Quan-Xing; Lin, Jun; Yan, Sheng-Jiao","Diastereoselective Synthesis of Morphan Derivatives by Michael and Hetero-Michael Addition of 1,1-Enediamines to Quinone Monoketals.","ACS omega","2018","3","1","8","21","10.1021/acsomega.7b01493","","","0.71073","MoKα","","0.1879","0.1322","","","0.4035","0.4392","","","","","","1.032","","","","has coordinates","225986","2020-10-21","18:00:00",""
"4515907","17.67","0.03","8.064","0.012","12.926","0.019","90","","102.53","0.02","90","","1798","5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H21 N3 O5 -","- C17 H21 N3 O5 -","- C68 H84 N12 O20 -","4","1","","Hu, Xing-Mei; Luo, Da-Yun; Zi, Quan-Xing; Lin, Jun; Yan, Sheng-Jiao","Diastereoselective Synthesis of Morphan Derivatives by Michael and Hetero-Michael Addition of 1,1-Enediamines to Quinone Monoketals.","ACS omega","2018","3","1","8","21","10.1021/acsomega.7b01493","","","0.71073","MoKα","","0.1334","0.0613","","","0.1397","0.1752","","","","","","0.967","","","","has coordinates","225987","2020-10-21","18:00:00",""
"4515908","8.3233","0.0015","8.3363","0.0015","17.223","0.003","102.674","0.002","97.734","0.002","98.563","0.002","1135.5","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H25 F2 N3 O5 -","- C24 H25 F2 N3 O5 -","- C48 H50 F4 N6 O10 -","2","1","","Hu, Xing-Mei; Luo, Da-Yun; Zi, Quan-Xing; Lin, Jun; Yan, Sheng-Jiao","Diastereoselective Synthesis of Morphan Derivatives by Michael and Hetero-Michael Addition of 1,1-Enediamines to Quinone Monoketals.","ACS omega","2018","3","1","8","21","10.1021/acsomega.7b01493","","","0.71073","MoKα","","0.0789","0.0515","","","0.151","0.1812","","","","","","1.06","","","","has coordinates,has disorder","225988","2020-10-21","18:00:00",""
"4515909","10.92936","0.00008","12.8033","0.00009","13.37608","0.00011","90","","112.081","0.0009","90","","1734.45","0.03","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H15 Br N2 O2 -","- C21 H15 Br N2 O2 -","- C84 H60 Br4 N8 O8 -","4","1","","Leas, Derek A.; Wu, Jianbo; Ezell, Edward L.; Garrison, Jered C.; Vennerstrom, Jonathan L.; Dong, Yuxiang","Formation of 2-Imino Benzo[<i>e</i>]-1,3-oxazin-4-ones from Reactions of Salicylic Acids and Anilines with HATU: Mechanistic and Synthetic Studies.","ACS omega","2018","3","1","781","787","10.1021/acsomega.7b01824","","x-ray","1.54184","CuKα","","0.0324","0.0307","","","0.0806","0.0822","","","","","","1.045","","","","has coordinates","225989","2020-10-21","18:00:00",""
"4515910","9.0317","0.0005","10.0478","0.0005","15.5635","0.0008","90","","90","","90","","1412.37","0.13","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","2OK-1","2OK-1","","- C14 H20 O4 -","- C14 H20 O4 -","- C56 H80 O16 -","4","1","","Li, Yuelan; Zhu, Rongxiu; Zhang, Jiaozhen; Xie, Fei; Wang, Xiaoning; Xu, Ke; Qiao, Yanan; Zhao, Zuntian; Lou, Hongxiang","Ophiosphaerellins A-I, Polyketide-Derived Compounds from the Endolichenic Fungus <i>Ophiosphaerella korrae</i>.","ACS omega","2018","3","1","176","180","10.1021/acsomega.7b01668","","","1.54178","CuKα","","0.1508","0.1282","","","0.2979","0.3227","","","","","","1.11","","","","has coordinates","225990","2020-10-21","18:00:00",""
"4515911","13.4241","0.0006","13.4241","0.0006","7.2863","0.0004","90","","90","","90","","1313.04","0.11","296","2","296","2","","","","","","","","3","P 41","P 4w","76","OK-17","OK-17","","- C14 H20 O3 -","- C14 H20 O3 -","- C56 H80 O12 -","4","1","","Li, Yuelan; Zhu, Rongxiu; Zhang, Jiaozhen; Xie, Fei; Wang, Xiaoning; Xu, Ke; Qiao, Yanan; Zhao, Zuntian; Lou, Hongxiang","Ophiosphaerellins A-I, Polyketide-Derived Compounds from the Endolichenic Fungus <i>Ophiosphaerella korrae</i>.","ACS omega","2018","3","1","176","180","10.1021/acsomega.7b01668","","","1.54178","CuKα","","0.0765","0.0608","","","0.145","0.1607","","","","","","1.03","","","","has coordinates","225991","2020-10-21","18:00:00",""
"4515912","9.2774","0.0003","22.6668","0.0007","9.8223","0.0003","90","","104.891","0.002","90","","1996.15","0.11","298","","298","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C26 H22 O -","- C26 H22 O -","- C104 H88 O4 -","4","1","","Sahoo, Prakash Kumar; Gawali, Suhas Shahaji; Gunanathan, Chidambaram","Iron-Catalyzed Selective Etherification and Transetherification Reactions Using Alcohols.","ACS omega","2018","3","1","124","136","10.1021/acsomega.7b01705","","","0.71073","MoKα","","0.0606","0.0398","","","0.0953","0.1071","","","","","","1.016","","","","has coordinates","225992","2020-10-21","18:00:00",""
"4515913","22.2703","0.0006","15.8902","0.0005","15.2838","0.0005","90","","93.297","0.003","90","","5399.7","0.3","100","0.1","100","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C54 H88 N2 O9 -","- C54 H88 N2 O9 -","- C216 H352 N8 O36 -","4","0.5","","Rodríguez-Fortea, Antonio; Kaleta, Jiří; Mézière, Cécile; Allain, Magali; Canadell, Enric; Wzietek, Pawel; Michl, Josef; Batail, Patrick","Asymmetric Choreography in Pairs of Orthogonal Rotors.","ACS omega","2018","3","1","1293","1297","10.1021/acsomega.7b01580","","","1.54184","CuKα","","0.0784","0.0718","","","0.1911","0.1974","","","","","","1.061","","","","has coordinates","225993","2020-10-21","18:00:00",""
"4515914","22.3412","0.0005","15.9121","0.0003","15.4268","0.0004","90","","93.24","0.002","90","","5475.4","0.2","180","0.1","180","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C54 H88 N2 O9 -","- C54 H88 N2 O9 -","- C216 H352 N8 O36 -","4","0.5","","Rodríguez-Fortea, Antonio; Kaleta, Jiří; Mézière, Cécile; Allain, Magali; Canadell, Enric; Wzietek, Pawel; Michl, Josef; Batail, Patrick","Asymmetric Choreography in Pairs of Orthogonal Rotors.","ACS omega","2018","3","1","1293","1297","10.1021/acsomega.7b01580","","x-ray","1.54184","CuKα","","0.0777","0.0695","","","0.1954","0.205","","","","","","1.022","","","","has coordinates","225994","2020-10-21","18:00:00",""
"4515915","7.1234","0.0017","7.7506","0.0019","21.457","0.01","90","","90","","90","","1184.7","0.7","291","2","291","2","","","","","","","see text","3","P 21 21 21","P 2ac 2ab","19","","Methyl (1a<i>S</i>,4a<i>R</i>,5<i>R</i>,7a<i>R</i>)-5-methyl-2-oxo- octahydrocyclopropa[<i>d</i>]indene- 4a-carboxylate","","- C13 H18 O3 -","- C13 H18 O3 -","- C52 H72 O12 -","4","1","","Yadav, Jhillu Singh; Singh, Shweta; Das, Saibal","Stereoselective Total Syntheses of Acutifolone A, Bisacutifolone A and B, Pinguisenol, and Isonaviculol.","ACS omega","2018","3","1","636","647","10.1021/acsomega.7b01513","","","0.7107","MoKα","","0.081","0.0576","","","0.1268","0.1489","","","","","","1.098","","","","has coordinates","225995","2020-10-21","18:00:00",""
"4515916","6.45","0.0003","7.2271","0.0004","15.5635","0.0008","100.475","0.004","94.555","0.004","97.516","0.004","703.3","0.06","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H9 F5 O -","- C16 H9 F5 O -","- C32 H18 F10 O2 -","2","1","","Yamada, Shigeyuki; Mitsuda, Akira; Miyano, Kazuya; Tanaka, Tsuyoshi; Morita, Masato; Agou, Tomohiro; Kubota, Toshio; Konno, Tsutomu","Development of Novel Solid-State Light-Emitting Materials Based on Pentafluorinated Tolane Fluorophores.","ACS omega","2018","3","8","9105","9113","10.1021/acsomega.8b01490","","","0.71073","MoKα","","0.0593","0.0417","","","0.1026","0.1138","","","","","","1.022","","","","has coordinates","225996","2020-10-21","18:00:00",""
"4515917","6.1612","0.0003","7.4665","0.0004","20.2688","0.0008","89.766","0.004","87.758","0.003","83.16","0.004","925.07","0.08","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H17 F5 O -","- C20 H17 F5 O -","- C40 H34 F10 O2 -","2","1","","Yamada, Shigeyuki; Mitsuda, Akira; Miyano, Kazuya; Tanaka, Tsuyoshi; Morita, Masato; Agou, Tomohiro; Kubota, Toshio; Konno, Tsutomu","Development of Novel Solid-State Light-Emitting Materials Based on Pentafluorinated Tolane Fluorophores.","ACS omega","2018","3","8","9105","9113","10.1021/acsomega.8b01490","","","0.71073","MoKα","","0.0695","0.0531","","","0.1543","0.1709","","","","","","1.033","","","","has coordinates","225997","2020-10-21","18:00:00",""
"4515918","12.4697","0.0015","8.9131","0.0011","17.456","0.002","90","","103.685","0.004","90","","1885","0.4","103","2","103","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H21 Cl S -","- C23 H21 Cl S -","- C92 H84 Cl4 S4 -","4","1","","Vu, Minh Duy; Foo, Ce Qing; Sadeer, Abdul; Shand, Sam S.; Li, Yongxin; Pullarkat, Sumod A.","Triflic-Acid-Catalyzed Tandem Allylic Substitution-Cyclization Reaction of Alcohols with Thiophenols-Facile Access to Polysubstituted Thiochromans.","ACS omega","2018","3","8","8945","8951","10.1021/acsomega.8b01305","","","0.71073","MoKα","","0.1155","0.0535","","","0.107","0.1322","","","","","","1.01","","","","has coordinates","225998","2020-10-21","18:00:00",""
"4515919","9.3936","0.0017","4.6798","0.0008","17.703","0.003","90","","100.44","0.0019","90","","765.3","0.2","123","","123","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H6 F8 N4 Ni -","- C18 H6 F8 N4 Ni -","- C36 H12 F16 N8 Ni2 -","2","0.5","","Pilia, Luca; Shuku, Yoshiaki; Dalgleish, Simon; Awaga, Kunio; Robertson, Neil","Structural and Electronic Effects Due to Fluorine Atoms on Dibenzotetraaza-Annulenes Complexes.","ACS omega","2018","3","8","10074","10083","10.1021/acsomega.8b01442","","","0.71075","MoKα","","0.028","0.0252","","","0.0686","0.0696","","","","","","1.105","","","","has coordinates","225999","2020-10-21","18:00:00",""
"4515920","9.457","0.006","4.715","0.003","17.574","0.011","90","","100.787","0.009","90","","769.8","0.8","123","","123","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H6 Cu F8 N4 -","- C18 H6 Cu F8 N4 -","- C36 H12 Cu2 F16 N8 -","2","0.5","","Pilia, Luca; Shuku, Yoshiaki; Dalgleish, Simon; Awaga, Kunio; Robertson, Neil","Structural and Electronic Effects Due to Fluorine Atoms on Dibenzotetraaza-Annulenes Complexes.","ACS omega","2018","3","8","10074","10083","10.1021/acsomega.8b01442","","","0.71075","MoKα","","0.0627","0.0521","","","0.1376","0.1446","","","","","","1.237","","","","has coordinates","225999","2020-10-21","18:00:00",""
"4515921","13.3372","0.0011","13.4107","0.0011","15.8542","0.0013","66.936","0.001","65.477","0.001","73.256","0.001","2346.9","0.3","201","2","201","2","","","","","","","","5","P -1","-P 1","2","","","","- C37 H42 Hg4 N15 O13 -","- C37 H42 Hg4 N15 O13 -","- C74 H84 Hg8 N30 O26 -","2","1","","Lemes, Maykon A.; Stein, Hilarie N.; Gabidullin, Bulat; Steinmann, Stephan N.; Murugesu, Muralee","Tetrazine-Based Ligand Transformation Driving Metal-Metal Bond and Mixed-Valence Hg<sup>I</sup>/Hg<sup>II</sup>.","ACS omega","2018","3","8","10273","10277","10.1021/acsomega.8b01861","","","0.71073","MoKα","","0.0672","0.0388","","","0.089","0.1017","","","","","","0.979","","","","has coordinates","226000","2020-10-21","18:00:00",""
"4515922","16.4068","0.001","21.1877","0.0013","21.5464","0.0014","94.827","0.001","105.616","0.001","110.717","0.001","6612","0.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H97 Cl N24 O36 -","- C42 H48 Cl N24 O12 -","- C168 H192 Cl4 N96 O48 -","4","2","","Wang, Xin-Xin; Tian, Fei-Yang; Chen, Kai; Zhang, Yun-Qian; Tao, Zhu; Zhu, Qian-Jiang","Hexamethylcucurbit[3,3]uril-Based Porous Supramolecular Assemblies and Their Adsorption Properties.","ACS omega","2018","3","8","9827","9833","10.1021/acsomega.8b00979","","","0.71073","MoKα","","0.1242","0.083","","","0.2332","0.2557","","","","","","1.004","","","","has coordinates","226001","2020-10-21","18:00:00",""
"4515923","10.8505","0.0005","10.467","0.0004","18.8893","0.0009","90","","105.253","0.005","90","","2069.73","0.17","150.03","0.1","150.03","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C40 H34 Cu2 N6 O18 -","- C40 H34 Cu2 N6 O18 -","- C80 H68 Cu4 N12 O36 -","2","0.5","","Hossain, Anowar; Dey, Arka; Seth, Saikat Kumar; Ray, Partha Pratim; Ballester, Pablo; Pritchard, Robin G.; Ortega-Castro, Joaquín; Frontera, Antonio; Mukhopadhyay, Subrata","Enhanced Photosensitive Schottky Diode Behavior of Pyrazine over 2-Aminopyrimidine Ligand in Copper(II)-Phthalate MOFs: Experimental and Theoretical Rationalization.","ACS omega","2018","3","8","9160","9171","10.1021/acsomega.8b01111","","","0.71073","MoKα","","0.0787","0.0524","","","0.1027","0.1221","","","","","","1.055","","","","has coordinates,has disorder","226002","2020-10-21","18:00:00",""
"4515924","16.9098","0.001","11.4225","0.0007","10.4825","0.0007","90","","95.3601","0.0017","90","","2015.9","0.2","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H18 Cu N2 O10 -","- C20 H18 Cu N2 O10 -","- C80 H72 Cu4 N8 O40 -","4","0.5","","Hossain, Anowar; Dey, Arka; Seth, Saikat Kumar; Ray, Partha Pratim; Ballester, Pablo; Pritchard, Robin G.; Ortega-Castro, Joaquín; Frontera, Antonio; Mukhopadhyay, Subrata","Enhanced Photosensitive Schottky Diode Behavior of Pyrazine over 2-Aminopyrimidine Ligand in Copper(II)-Phthalate MOFs: Experimental and Theoretical Rationalization.","ACS omega","2018","3","8","9160","9171","10.1021/acsomega.8b01111","","","0.71073","MoKα","","0.0362","0.0315","","","0.0791","0.0811","","","","","","1.084","","","","has coordinates","226003","2020-10-21","18:00:00",""
"4515925","9.3247","0.0004","8.2469","0.0004","10.8377","0.0005","90","","92.037","0.004","90","","832.89","0.07","140.1","0.5","140","1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C7 H10 N4 -","- C7 H10 N4 -","- C28 H40 N16 -","4","1","","Tinson, Ryan A. J.; Hughes, David L.; Ward, Leanne; Stephenson, G. Richard","Unusual Nucleophilic Addition of Grignard Reagents in the Synthesis of 4-Amino-pyrimidines.","ACS omega","2018","3","8","8937","8944","10.1021/acsomega.8b01137","","","0.71073","Mo-Kα","","0.0672","0.0498","","","0.1379","0.1477","","","","","","1.062","","","","has coordinates","226004","2020-10-21","18:00:00",""
"4515926","6.6437","0.0003","9.4377","0.0004","19.9115","0.0008","90","","99.266","0.003","90","","1232.19","0.09","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H9 N O2 S -","- C16 H9 N O2 S -","- C64 H36 N4 O8 S4 -","4","1","","Lohar, Somenath; Dhara, Koushik; Roy, Priya; Sinha Babu, Santi P.; Chattopadhyay, Pabitra","Highly Sensitive Ratiometric Chemosensor and Biomarker for Cyanide Ions in the Aqueous Medium.","ACS omega","2018","3","8","10145","10153","10.1021/acsomega.8b01035","","","0.71073","MoKα","","0.0717","0.0393","","","0.1076","0.1539","","","","","","1.105","","","","has coordinates","226005","2020-10-21","18:00:00",""
"4515927","7.3648","0.0004","12.6013","0.0008","17.9669","0.001","71.88","0.004","86.822","0.004","86.863","0.004","1581.07","0.16","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H24 N2 O7 S2 -","- C34 H24 N2 O7 S2 -","- C68 H48 N4 O14 S4 -","2","1","","Lohar, Somenath; Dhara, Koushik; Roy, Priya; Sinha Babu, Santi P.; Chattopadhyay, Pabitra","Highly Sensitive Ratiometric Chemosensor and Biomarker for Cyanide Ions in the Aqueous Medium.","ACS omega","2018","3","8","10145","10153","10.1021/acsomega.8b01035","","","0.71073","MoKα","","0.1792","0.0663","","","0.1913","0.276","","","","","","0.753","","","","has coordinates","255805","2020-10-21","18:00:00",""
"4515928","10.8577","0.0002","14.2462","0.0003","13.918","0.0003","90","","111.138","0.001","90","","2007.99","0.07","173","","173","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C46 H46 N2 O11 -","- C46 H46 N2 O11 -","- C92 H92 N4 O22 -","2","0.5","","Fang, Jing; Zhang, Qi; Li, Meiqi; Wang, Jian-Rong; Mei, Xuefeng","Isostructural Solvates of Naturally Occurring Allocryptopine Exhibit Both Mechanochromic and Hydrochromic Luminescent Properties.","ACS omega","2018","3","8","9220","9226","10.1021/acsomega.8b01267","","","0.71073","MoKα","","0.0565","0.0451","","","0.1325","0.1413","","","","","","1.077","","","","has coordinates","226007","2020-10-21","18:00:00",""
"4515929","10.6658","0.0019","14.335","0.003","13.962","0.003","90","","110.1","0.005","90","","2004.7","0.7","296","2","296.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C45 H46 N3 O11 -","- C45 H46 N3 O11 -","- C90 H92 N6 O22 -","2","0.5","","Fang, Jing; Zhang, Qi; Li, Meiqi; Wang, Jian-Rong; Mei, Xuefeng","Isostructural Solvates of Naturally Occurring Allocryptopine Exhibit Both Mechanochromic and Hydrochromic Luminescent Properties.","ACS omega","2018","3","8","9220","9226","10.1021/acsomega.8b01267","","","0.71073","MoKα","","0.1195","0.0584","","","0.1414","0.1672","","","","","","0.935","","","","has coordinates","226008","2020-10-21","18:00:00",""
"4515930","10.5721","0.0011","14.2791","0.0015","13.9602","0.0016","90","","109.686","0.002","90","","1984.3","0.4","173","","173","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C45 H46 N2 O11 -","- C45 H46 N2 O11 -","- C90 H92 N4 O22 -","2","0.5","","Fang, Jing; Zhang, Qi; Li, Meiqi; Wang, Jian-Rong; Mei, Xuefeng","Isostructural Solvates of Naturally Occurring Allocryptopine Exhibit Both Mechanochromic and Hydrochromic Luminescent Properties.","ACS omega","2018","3","8","9220","9226","10.1021/acsomega.8b01267","","","0.71073","MoKα","","0.0644","0.0481","","","0.1362","0.1513","","","","","","1.022","","","","has coordinates","226009","2020-10-21","18:00:00",""
"4515931","18.9584","0.001","16.8577","0.0008","14.0096","0.0007","90","","111.553","0.003","90","","4164.3","0.4","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C52 H29 F9 N6 Pt -","- C52 H29 F9 N6 Pt -","- C208 H116 F36 N24 Pt4 -","4","0.5","","Alemayehu, Abraham B.; McCormick, Laura J.; Gagnon, Kevin J.; Borisov, Sergey M.; Ghosh, Abhik","Stable Platinum(IV) Corroles: Synthesis, Molecular Structure, and Room-Temperature Near-IR Phosphorescence.","ACS omega","2018","3","8","9360","9368","10.1021/acsomega.8b01149","","","0.8857","synchrotron","","0.0482","0.0345","","","0.0701","0.0746","","","","","","1.037","","","","has coordinates,has disorder","226010","2020-10-21","18:00:00",""
"4515932","9.4792","0.0015","12.0922","0.0019","16.675","0.003","109.102","0.003","95.415","0.003","90.85","0.003","1795.9","0.5","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C49 H32 N6 Pt -","- C49 H32 N6 Pt -","- C98 H64 N12 Pt2 -","2","1","","Alemayehu, Abraham B.; McCormick, Laura J.; Gagnon, Kevin J.; Borisov, Sergey M.; Ghosh, Abhik","Stable Platinum(IV) Corroles: Synthesis, Molecular Structure, and Room-Temperature Near-IR Phosphorescence.","ACS omega","2018","3","8","9360","9368","10.1021/acsomega.8b01149","","","0.7293","synchrotron","","0.0865","0.0583","","","0.1336","0.1471","","","","","","1.033","","","","has coordinates","226010","2020-10-21","18:00:00",""
"4515933","8.0473","0.0006","11.4044","0.0009","13.7456","0.0011","70.394","0.001","75.041","0.001","79.862","0.001","1142.53","0.15","294","2","294","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H30 N2 O4 -","- C24 H30 N2 O4 -","- C48 H60 N4 O8 -","2","1","","Reddy, Chatrala Ravikumar; Sridhar, Balasubramanian; V Subba Reddy, Basi","Ru(II)-Catalyzed Oxidative Functionalization of Arylhydrazine-1,2-dicarboxylates with Internal Alkynes for the Synthesis of Enecarbamates.","ACS omega","2018","3","8","9746","9753","10.1021/acsomega.8b01118","","","0.71073","MoKα","","0.0766","0.0656","","","0.1908","0.2023","","","","","","1.078","","","","has coordinates","226011","2020-10-21","18:00:00",""
"4515934","8.9744","0.0008","9.5414","0.0009","11.6948","0.001","95.027","0.002","97.388","0.001","96.992","0.001","980.27","0.15","294","2","294","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H24 N2 O5 -","- C21 H24 N2 O5 -","- C42 H48 N4 O10 -","2","1","","Reddy, Chatrala Ravikumar; Sridhar, Balasubramanian; V Subba Reddy, Basi","Ru(II)-Catalyzed Oxidative Functionalization of Arylhydrazine-1,2-dicarboxylates with Internal Alkynes for the Synthesis of Enecarbamates.","ACS omega","2018","3","8","9746","9753","10.1021/acsomega.8b01118","","","0.71073","MoKα","","0.0538","0.0448","","","0.1175","0.124","","","","","","1.055","","","","has coordinates","226012","2020-10-21","18:00:00",""
"4515935","7.942","0.005","19.31","0.02","22.77","0.02","90","","90","","90","","3492","5","110","","110","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C14 H18 I2 N2 O Pt -","- C14 H18 I2 N2 O Pt -","- C112 H144 I16 N16 O8 Pt8 -","8","1","","Fard, Mahmood A.; Behnia, Ava; Puddephatt, Richard J.","Supramolecular Polymer and Sheet and a Double Cubane Structure in Platinum(IV) Iodide Chemistry: Solution of a Longstanding Puzzle.","ACS omega","2018","3","8","10267","10272","10.1021/acsomega.8b01367","","","0.71073","MoKα","","0.0346","0.0329","","","0.1014","0.1024","","","","","","1.104","","","","has coordinates","226013","2020-10-21","18:00:00",""
"4515936","11.333","0.004","13.086","0.004","14.249","0.004","90","","94.272","0.007","90","","2107.3","1.1","110","","110","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17 H24 I2 N2 O2 Pt -","- C17 H24 I2 N2 O2 Pt -","- C68 H96 I8 N8 O8 Pt4 -","4","1","","Fard, Mahmood A.; Behnia, Ava; Puddephatt, Richard J.","Supramolecular Polymer and Sheet and a Double Cubane Structure in Platinum(IV) Iodide Chemistry: Solution of a Longstanding Puzzle.","ACS omega","2018","3","8","10267","10272","10.1021/acsomega.8b01367","","","0.71073","MoKα","","0.0285","0.0278","","","0.0805","0.0809","","","","","","1.192","","","","has coordinates","226013","2020-10-21","18:00:00",""
"4515937","8.361","0.003","8.63","0.004","10.095","0.004","92.018","0.017","113.755","0.014","106.974","0.019","627.9","0.5","163","","163","","","","","","","","","4","P -1","-P 1","2","","","","- C10 H30 I6 Pt4 -","- C10 H30 I6 Pt4 -","- C10 H30 I6 Pt4 -","1","0.5","","Fard, Mahmood A.; Behnia, Ava; Puddephatt, Richard J.","Supramolecular Polymer and Sheet and a Double Cubane Structure in Platinum(IV) Iodide Chemistry: Solution of a Longstanding Puzzle.","ACS omega","2018","3","8","10267","10272","10.1021/acsomega.8b01367","","","0.71073","MoKα","","0.0462","0.0333","","","0.0637","0.0668","","","","","","1.098","","","","has coordinates","226013","2020-10-21","18:00:00",""
"4515938","17.4884","0.0011","7.707","0.0004","16.2535","0.0009","90","","94.034","0.002","90","","2185.3","0.2","100","","100","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C11 H10 Cl2 O3 -","- C11 H10 Cl2 O3 -","- C88 H80 Cl16 O24 -","8","1","","Dethe, Dattatraya H.; Boda, Raghavender","Synthetic Studies toward the Natural Product Tripartin, the First Natural Histone Lysine Demethylase Inhibitor.","ACS omega","2018","3","8","9303","9309","10.1021/acsomega.8b01341","","x-ray","0.71073","MoKα","","0.0522","0.0338","","","0.08","0.0872","","","","","","1.025","","","","has coordinates","226014","2020-10-21","18:00:00",""
"4515939","15.002","0.005","8.676","0.003","16.83","0.005","90","","91.384","0.004","90","","2189.9","1.2","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H34 B12 N4 -","- C12 H34 B12 N4 -","- C48 H136 B48 N16 -","4","1","","Kelley, Steven P.; Rachiero, Giovanni P.; Titi, Hatem M.; Rogers, Robin D.","New Reactions for Old Ions: Cage Rearrangements, Hydrolysis, and Two-Electron Reduction of <i>nido</i>-Decaborane in Neat 1-Ethyl-3-Methylimidazolium Acetate.","ACS omega","2018","3","8","8491","8496","10.1021/acsomega.8b00775","","","0.71073","MoKα","","0.2098","0.0935","","","0.2134","0.2565","","","","","","1.226","","","","has coordinates","226015","2020-10-21","18:00:00",""
"4515940","14.0962","0.0016","10.5765","0.0016","14.3649","0.0013","90","","91.92","0.003","90","","2140.4","0.4","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C12 H32 B10 N4 -","- C12 H32 B10 N4 -","- C48 H128 B40 N16 -","4","0.5","","Kelley, Steven P.; Rachiero, Giovanni P.; Titi, Hatem M.; Rogers, Robin D.","New Reactions for Old Ions: Cage Rearrangements, Hydrolysis, and Two-Electron Reduction of <i>nido</i>-Decaborane in Neat 1-Ethyl-3-Methylimidazolium Acetate.","ACS omega","2018","3","8","8491","8496","10.1021/acsomega.8b00775","","","0.71073","MoKα","","0.1589","0.1059","","","0.2825","0.3247","","","","","","1.041","","","","has coordinates,has disorder","226015","2020-10-21","18:00:00",""
"4515941","9.553","0.0007","28.914","0.002","9.7711","0.0007","90","","116.859","0.004","90","","2407.8","0.3","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H38 B10 N4 O2 -","- C14 H38 B10 N4 O2 -","- C56 H152 B40 N16 O8 -","4","1","","Kelley, Steven P.; Rachiero, Giovanni P.; Titi, Hatem M.; Rogers, Robin D.","New Reactions for Old Ions: Cage Rearrangements, Hydrolysis, and Two-Electron Reduction of <i>nido</i>-Decaborane in Neat 1-Ethyl-3-Methylimidazolium Acetate.","ACS omega","2018","3","8","8491","8496","10.1021/acsomega.8b00775","","","0.71073","MoKα","","0.1342","0.0692","","","0.1311","0.1591","","","","","","1.014","","","","has coordinates","226015","2020-10-21","18:00:00",""
"4515942","14.8016","0.0004","12.2438","0.0004","18.4551","0.0005","90","","99.793","0.003","90","","3295.84","0.17","293","2","293.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C27 H21 B3 Cl6 F6 N4 O3 -","- C27 H21 B3 Cl6 F6 N4 O3 -","- C108 H84 B12 Cl24 F24 N16 O12 -","4","1","","Zhang, Xiaohong; Shi, Jun; Song, Jintong; Wang, Man; Xu, Xuemei; Qu, Lang; Zhou, Xiangge; Xiang, Haifeng","Nonconjugated Fluorescent Molecular Cages of Trinuclear Fluoroborate Complexes with Salicylaldehyde-Based Schiff Base Ligands.","ACS omega","2018","3","8","8992","9002","10.1021/acsomega.8b01504","","x-ray","0.71073","MoKα","","0.0812","0.0569","","","0.1286","0.1421","","","","","","1.069","","","","has coordinates","226016","2020-10-21","18:00:00",""
"4515943","11.6042","0.0002","17.3471","0.0003","13.6414","0.0002","90","","90.3913","0.0015","90","","2745.94","0.08","292.7","0.6","292.7","0.6","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H27 B3 F6 N4 O3 -","- C27 H27 B3 F6 N4 O3 -","- C108 H108 B12 F24 N16 O12 -","4","1","","Zhang, Xiaohong; Shi, Jun; Song, Jintong; Wang, Man; Xu, Xuemei; Qu, Lang; Zhou, Xiangge; Xiang, Haifeng","Nonconjugated Fluorescent Molecular Cages of Trinuclear Fluoroborate Complexes with Salicylaldehyde-Based Schiff Base Ligands.","ACS omega","2018","3","8","8992","9002","10.1021/acsomega.8b01504","","x-ray","1.54184","CuKα","","0.0694","0.0624","","","0.1742","0.1835","","","","","","1.025","","","","has coordinates","226017","2020-10-21","18:00:00",""
"4515944","8.25787","0.00017","8.7682","0.0003","15.6385","0.0004","96.208","0.002","97.1322","0.0019","108.099","0.002","1054.98","0.05","293","","293","","","","","","","","","4","P -1","-P 1","2","","","","- C29 H21 N O2 -","- C29 H21 N O2 -","- C58 H42 N2 O4 -","2","1","","Baig, Moghal Zubair Khalid; Prusti, Banchhanidhi; Roy, Durba; Sahu, Prabhat Kumar; Sarkar, Moloy; Sharma, Aayushi; Chakravarty, Manab","Weak Donor-/Strong Acceptor-Linked Anthracenyl π-Conjugates as Solvato(fluoro)chromophore and AEEgens: Contrast between Nitro and Cyano Functionality.","ACS omega","2018","3","8","9114","9125","10.1021/acsomega.8b01258","","","1.54184","CuKα","","0.0712","0.0595","","","0.1713","0.1822","","","","","","1.08","","","","has coordinates,has disorder","226018","2020-10-21","18:00:00",""
"4515945","8.0332","0.0019","8.569","0.002","18.521","0.003","86.059","0.018","79.08","0.018","63.59","0.03","1121","0.5","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C31 H25 N O2 -","- C31 H25 N O2 -","- C62 H50 N2 O4 -","2","1","","Baig, Moghal Zubair Khalid; Prusti, Banchhanidhi; Roy, Durba; Sahu, Prabhat Kumar; Sarkar, Moloy; Sharma, Aayushi; Chakravarty, Manab","Weak Donor-/Strong Acceptor-Linked Anthracenyl π-Conjugates as Solvato(fluoro)chromophore and AEEgens: Contrast between Nitro and Cyano Functionality.","ACS omega","2018","3","8","9114","9125","10.1021/acsomega.8b01258","","x-ray","0.71073","MoKα","","0.1321","0.096","","","0.2589","0.2802","","","","","","1.129","","","","has coordinates","226018","2020-10-21","18:00:00",""
"4515946","8.5961","0.0001","11.2877","0.0002","12.684","0.0002","110.581","0.001","95.048","0.001","95.743","0.001","1136.33","0.03","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C32 H25 N -","- C32 H25 N -","- C64 H50 N2 -","2","1","","Baig, Moghal Zubair Khalid; Prusti, Banchhanidhi; Roy, Durba; Sahu, Prabhat Kumar; Sarkar, Moloy; Sharma, Aayushi; Chakravarty, Manab","Weak Donor-/Strong Acceptor-Linked Anthracenyl π-Conjugates as Solvato(fluoro)chromophore and AEEgens: Contrast between Nitro and Cyano Functionality.","ACS omega","2018","3","8","9114","9125","10.1021/acsomega.8b01258","","x-ray","1.54184","CuKα","","0.0476","0.0454","","","0.1367","0.14","","","","","","1.063","","","","has coordinates","226018","2020-10-21","18:00:00",""
"4515947","19.4514","0.0014","8.0224","0.0006","14.5787","0.001","90","","99.218","0.006","90","","2245.6","0.3","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C31 H25 N O2 -","- C31 H25 N O2 -","- C124 H100 N4 O8 -","4","1","","Baig, Moghal Zubair Khalid; Prusti, Banchhanidhi; Roy, Durba; Sahu, Prabhat Kumar; Sarkar, Moloy; Sharma, Aayushi; Chakravarty, Manab","Weak Donor-/Strong Acceptor-Linked Anthracenyl π-Conjugates as Solvato(fluoro)chromophore and AEEgens: Contrast between Nitro and Cyano Functionality.","ACS omega","2018","3","8","9114","9125","10.1021/acsomega.8b01258","","","0.71073","MoKα","","0.0566","0.0463","","","0.1214","0.1274","","","","","","1.025","","","","has coordinates","226018","2020-10-21","18:00:00",""
"4515948","8.9806","0.0004","11.4991","0.0005","11.998","0.0006","114.199","0.005","96.923","0.004","102.313","0.004","1073.66","0.1","293","2","293","2","","","","","","","","2","P -1","-P 1","2","","","","- C31 H26 -","- C31 H26 -","- C62 H52 -","2","1","","Baig, Moghal Zubair Khalid; Prusti, Banchhanidhi; Roy, Durba; Sahu, Prabhat Kumar; Sarkar, Moloy; Sharma, Aayushi; Chakravarty, Manab","Weak Donor-/Strong Acceptor-Linked Anthracenyl π-Conjugates as Solvato(fluoro)chromophore and AEEgens: Contrast between Nitro and Cyano Functionality.","ACS omega","2018","3","8","9114","9125","10.1021/acsomega.8b01258","","","0.71073","MoKα","","0.0563","0.0472","","","0.1297","0.1354","","","","","","1.073","","","","has coordinates","226018","2020-10-21","18:00:00",""
"4515949","25.666","0.004","46.332","0.007","8.4689","0.0013","90","","90","","90","","10071","3","100","2","100","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C27 H34 Cl N O3 -","- C27 H34 Cl N O3 -","- C432 H544 Cl16 N16 O48 -","16","1","","Aghazadeh Meshgi, Mohammad; Zaitsev, Kirill V.; Vener, Mikhail V.; Churakov, Andrei V.; Baumgartner, Judith; Marschner, Christoph","Hypercoordinated Oligosilanes Based on Aminotrisphenols.","ACS omega","2018","3","8","10317","10330","10.1021/acsomega.8b01402","","","0.71073","MoKα","","0.0702","0.0549","","","0.1042","0.1101","","","","","","1.041","","","","has coordinates","226019","2020-10-21","18:00:00",""
"4515950","9.2802","0.0014","14.072","0.002","11.6193","0.0018","90","","90.084","0.002","90","","1517.4","0.4","183","2","183","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H12 Cl N O3 Si -","- C18 H12 Cl N O3 Si -","- C72 H48 Cl4 N4 O12 Si4 -","4","1","","Aghazadeh Meshgi, Mohammad; Zaitsev, Kirill V.; Vener, Mikhail V.; Churakov, Andrei V.; Baumgartner, Judith; Marschner, Christoph","Hypercoordinated Oligosilanes Based on Aminotrisphenols.","ACS omega","2018","3","8","10317","10330","10.1021/acsomega.8b01402","","","0.71073","MoKα","","0.0404","0.0385","","","0.1008","0.1023","","","","","","1.044","","","","has coordinates","226019","2020-10-21","18:00:00",""
"4515951","14.414","0.002","14.414","0.002","24.558","0.004","90","","90","","120","","4418.7","1.1","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C54 H60 N2 O7 Si2 -","- C54 H60 N2 O7 Si2 -","- C162 H180 N6 O21 Si6 -","3","0.166667","","Aghazadeh Meshgi, Mohammad; Zaitsev, Kirill V.; Vener, Mikhail V.; Churakov, Andrei V.; Baumgartner, Judith; Marschner, Christoph","Hypercoordinated Oligosilanes Based on Aminotrisphenols.","ACS omega","2018","3","8","10317","10330","10.1021/acsomega.8b01402","","","0.71073","MoKα","","0.0452","0.0424","","","0.1153","0.1175","","","","","","1.056","","","","has coordinates","226019","2020-10-21","18:00:00",""
"4515952","60.459","0.013","12.913","0.003","16.786","0.004","90","","100.08","0.006","90","","12903","5","200","2","200","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C27 H39 N O3 Si5 -","- C27 H39 N O3 Si5 -","- C432 H624 N16 O48 Si80 -","16","2","","Aghazadeh Meshgi, Mohammad; Zaitsev, Kirill V.; Vener, Mikhail V.; Churakov, Andrei V.; Baumgartner, Judith; Marschner, Christoph","Hypercoordinated Oligosilanes Based on Aminotrisphenols.","ACS omega","2018","3","8","10317","10330","10.1021/acsomega.8b01402","","","0.71073","MoKα","","0.0672","0.0513","","","0.1254","0.1339","","","","","","1.026","","","","has coordinates","255316","2020-10-21","18:00:00",""
"4515953","19.675","0.004","13.965","0.003","18.335","0.003","90","","92.701","0.003","90","","5032.2","1.7","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C37 H69 N O3 Si10 -","- C37 H69 N O3 Si10 -","- C148 H276 N4 O12 Si40 -","4","1","","Aghazadeh Meshgi, Mohammad; Zaitsev, Kirill V.; Vener, Mikhail V.; Churakov, Andrei V.; Baumgartner, Judith; Marschner, Christoph","Hypercoordinated Oligosilanes Based on Aminotrisphenols.","ACS omega","2018","3","8","10317","10330","10.1021/acsomega.8b01402","","","0.71073","MoKα","","0.055","0.0487","","","0.1192","0.123","","","","","","1.124","","","","has coordinates","226019","2020-10-21","18:00:00",""
"4515954","13.822","0.004","17.584","0.005","20.129","0.005","87.588","0.004","75.904","0.004","70.969","0.004","4482","2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H65 N O4 Si5 -","- C40 H65 N O4 Si5 -","- C160 H260 N4 O16 Si20 -","4","2","","Aghazadeh Meshgi, Mohammad; Zaitsev, Kirill V.; Vener, Mikhail V.; Churakov, Andrei V.; Baumgartner, Judith; Marschner, Christoph","Hypercoordinated Oligosilanes Based on Aminotrisphenols.","ACS omega","2018","3","8","10317","10330","10.1021/acsomega.8b01402","","","0.71073","MoKα","","0.0872","0.0741","","","0.1714","0.177","","","","","","1.133","","","","has coordinates,has disorder","226019","2020-10-21","18:00:00",""
"4515955","14.3849","0.0018","14.3849","0.0018","22.169","0.004","90","","90","","120","","3972.7","1","100","2","100","2","","","","","","","","5","P -3 c 1","-P 3 2""c","165","","","","- C36 H57 N O3 Si5 -","- C36 H57 N O3 Si5 -","- C144 H228 N4 O12 Si20 -","4","0.333333","","Aghazadeh Meshgi, Mohammad; Zaitsev, Kirill V.; Vener, Mikhail V.; Churakov, Andrei V.; Baumgartner, Judith; Marschner, Christoph","Hypercoordinated Oligosilanes Based on Aminotrisphenols.","ACS omega","2018","3","8","10317","10330","10.1021/acsomega.8b01402","","","0.71073","MoKα","","0.0611","0.0599","","","0.1355","0.1361","","","","","","1.261","","","","has coordinates","226019","2020-10-21","18:00:00",""
"4515956","13.19","0.05","16.96","0.06","20.32","0.07","90","","90","","90","","4546","3","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","NRM018","NRM018","","- C26 H17 N3 O5 -","- C26 H17 N3 O5 -","- C208 H136 N24 O40 -","8","1","","Mupparapu, Nagaraju; Khan, Shahnawaz; Bandhoria, Pankaj; Athimoolam, Shunmuganarayanan; Ahmed, Qazi Naveed","One-Pot Tandem Approach to Functionalized 3-Hydroxy-2-furanyl-acrylamides.","ACS omega","2018","3","5","5445","5452","10.1021/acsomega.8b00715","","","0.71073","MoKα","","0.0803","0.0546","","","0.1261","0.141","","","","","","1.086","","","","has coordinates,has disorder","226020","2020-10-21","18:00:00",""
"4515957","13.399","0.019","10.904","0.014","16.85","0.02","90","","112.68","0.02","90","","2271","5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","NRM010","NRM010","","- C26 H16 Br2 N2 O3 -","- C26 H16 Br2 N2 O3 -","- C104 H64 Br8 N8 O12 -","4","1","","Mupparapu, Nagaraju; Khan, Shahnawaz; Bandhoria, Pankaj; Athimoolam, Shunmuganarayanan; Ahmed, Qazi Naveed","One-Pot Tandem Approach to Functionalized 3-Hydroxy-2-furanyl-acrylamides.","ACS omega","2018","3","5","5445","5452","10.1021/acsomega.8b00715","","","0.71073","MoKα","","0.0597","0.0348","","","0.0755","0.0839","","","","","","1.021","","","","has coordinates","226021","2020-10-21","18:00:00",""
"4515958","7.661","0.0005","7.8138","0.0004","23.4172","0.0019","90","","90","","90","","1401.79","0.16","173","0.14","173","0.14","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H16 N4 O2 S -","- C12 H16 N4 O2 S -","- C48 H64 N16 O8 S4 -","4","1","","Yan, Xiao-Sheng; Luo, Huan; Zou, Kun-Shan; Cao, Jin-Lian; Li, Zhao; Jiang, Yun-Bao","Short Azapeptides of Folded Structures in Aqueous Solutions.","ACS omega","2018","3","5","4786","4790","10.1021/acsomega.8b00041","","","1.54178","CuKα","","0.081","0.0769","","","0.2093","0.2168","","","","","","1.113","","","","has coordinates","226022","2020-10-21","18:00:00",""
"4515959","10.0167","0.0003","7.5935","0.0002","12.506","0.0003","90","","107.618","0.003","90","","906.61","0.04","100.01","0.1","100.01","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C15 H24 N4 O3 S -","- C15 H24 N4 O3 S -","- C30 H48 N8 O6 S2 -","2","1","","Yan, Xiao-Sheng; Luo, Huan; Zou, Kun-Shan; Cao, Jin-Lian; Li, Zhao; Jiang, Yun-Bao","Short Azapeptides of Folded Structures in Aqueous Solutions.","ACS omega","2018","3","5","4786","4790","10.1021/acsomega.8b00041","","","1.54178","CuKα","","0.0695","0.0601","","","0.1955","0.1999","","","","","","1.251","","","","has coordinates","226023","2020-10-21","18:00:00",""
"4515960","19.453","0.002","7.6077","0.0005","13.2277","0.0007","90","","90","","90","","1957.6","0.3","100.01","0.1","100.01","0.1","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C19 H24 N4 O3 S -","- C19 H24 N4 O3 S -","- C76 H96 N16 O12 S4 -","4","1","","Yan, Xiao-Sheng; Luo, Huan; Zou, Kun-Shan; Cao, Jin-Lian; Li, Zhao; Jiang, Yun-Bao","Short Azapeptides of Folded Structures in Aqueous Solutions.","ACS omega","2018","3","5","4786","4790","10.1021/acsomega.8b00041","","","0.71073","MoKα","","0.0512","0.0433","","","0.098","0.1034","","","","","","1.04","","","","has coordinates,has disorder","226024","2020-10-21","18:00:00",""
"4515961","11.561","0.002","20.663","0.004","28.603","0.005","99.883","0.006","90.591","0.006","94.939","0.006","6704","2","153","","153.03","","","","","","","","","3","P -1","-P 1","2","","","","- C46 H38 O2 -","- C46 H38 O2 -","- C368 H304 O16 -","8","4","","Liu, Rui; Ran, Huijuan; Zhao, Zhen; Yang, Xueli; Zhang, Jiali; Chen, Lijuan; Sun, Huaming; Hu, Jian-Yong","Synthesis and Optical Properties of Donor-Acceptor-Type 1,3,5,9-Tetraarylpyrenes: Controlling Intramolecular Charge-Transfer Pathways by the Change of π-Conjugation Directions for Emission Color Modulations.","ACS omega","2018","3","5","5866","5875","10.1021/acsomega.8b00583","","","1.54178","CuKα","","0.067","0.0638","","","0.1875","0.1912","","","","","","1.046","","","","has coordinates,has disorder","226025","2020-10-21","18:00:00",""
"4515962","51.797","0.003","51.797","0.003","6.5592","0.0004","90","","90","","120","","15240.2","1.6","153","2","153","","","","","","","","","3","R -3 :H","-R 3","148","","","","- C46 H34 O2 -","- C46 H34 O2 -","- C828 H612 O36 -","18","1","","Liu, Rui; Ran, Huijuan; Zhao, Zhen; Yang, Xueli; Zhang, Jiali; Chen, Lijuan; Sun, Huaming; Hu, Jian-Yong","Synthesis and Optical Properties of Donor-Acceptor-Type 1,3,5,9-Tetraarylpyrenes: Controlling Intramolecular Charge-Transfer Pathways by the Change of π-Conjugation Directions for Emission Color Modulations.","ACS omega","2018","3","5","5866","5875","10.1021/acsomega.8b00583","","","1.54178","CuKα","","0.0644","0.0522","","","0.1448","0.1545","","","","","","1.076","","","","has coordinates","226026","2020-10-21","18:00:00",""
"4515963","13.8545","0.0016","8.0296","0.0009","23.616","0.003","90","","99.037","0.002","90","","2594.6","0.5","120","2","120","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C44 H65 B Cl7 Co N9 O3 -","- C44 H65 B Cl7 Co N9 O3 -","- C88 H130 B2 Cl14 Co2 N18 O6 -","2","1","","Pavlov, Alexander A.; Savkina, Svetlana A.; Belov, Alexander S.; Voloshin, Yan Z.; Nelyubina, Yulia V.; Novikov, Valentin V.","Very Large Magnetic Anisotropy of Cage Cobalt(II) Complexes with a Rigid Cholesteryl Substituent from Paramagnetic NMR Spectroscopy.","ACS omega","2018","3","5","4941","4946","10.1021/acsomega.8b00772","","","0.71073","MoKα","","0.0951","0.0568","","","0.106","0.121","","","","","","1.011","","","","has coordinates","226027","2020-10-21","18:00:00",""
"4515964","10.867","0.0014","10.9382","0.0014","22.644","0.003","90.95","0.003","103.366","0.003","116.98","0.003","2310.7","0.5","120","2","120","2","","","","","","","","7","P 1","P 1","1","","","","- C48 H66 B Cl Co N6 O7 -","- C48 H66 B Cl Co N6 O7 -","- C96 H132 B2 Cl2 Co2 N12 O14 -","2","2","","Pavlov, Alexander A.; Savkina, Svetlana A.; Belov, Alexander S.; Voloshin, Yan Z.; Nelyubina, Yulia V.; Novikov, Valentin V.","Very Large Magnetic Anisotropy of Cage Cobalt(II) Complexes with a Rigid Cholesteryl Substituent from Paramagnetic NMR Spectroscopy.","ACS omega","2018","3","5","4941","4946","10.1021/acsomega.8b00772","","","0.71073","MoKα","","0.113","0.0616","","","0.1161","0.1356","","","","","","1.002","","","","has coordinates","226028","2020-10-21","18:00:00",""
"4515965","9.384","0.005","11.242","0.005","9.451","0.005","90","","118.112","0.006","90","","879.4","0.8","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","RS163B","","","- C20 H24 N O P -","- C20 H24 N O P -","- C40 H48 N2 O2 P2 -","2","1","","Soengas, Raquel; Belmonte Sánchez, Eva; Iglesias, María José; López Ortiz, Fernando","Synthesis of P-Stereogenic Benzoazaphosphole 1-Oxides via Alkynylation of P-Stereogenic ortho-Aurated and ortho-Iodo Phosphinic Amides.","ACS omega","2018","3","5","5116","5124","10.1021/acsomega.8b00491","","","0.71073","MoKα","","0.1153","0.0742","","","0.1501","0.1855","","","","","","1.085","","","","has coordinates","226029","2020-10-21","18:00:00",""
"4515966","9.4402","0.0005","15.011","0.0008","15.5913","0.0008","90","","90","","90","","2209.4","0.2","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","R1","","","- C20 H28 Cl N O P Sn -","- C20 H28 Cl N O P Sn -","- C80 H112 Cl4 N4 O4 P4 Sn4 -","4","1","","Soengas, Raquel; Belmonte Sánchez, Eva; Iglesias, María José; López Ortiz, Fernando","Synthesis of P-Stereogenic Benzoazaphosphole 1-Oxides via Alkynylation of P-Stereogenic ortho-Aurated and ortho-Iodo Phosphinic Amides.","ACS omega","2018","3","5","5116","5124","10.1021/acsomega.8b00491","","","1.54178","CuKα","","0.0473","0.0435","","","0.1106","0.1161","","","","","","1.066","","","","has coordinates","226030","2020-10-21","18:00:00",""
"4515967","7.8531","0.0005","7.4811","0.0004","34.767","0.002","90","","91.88","0.003","90","","2041.5","0.2","143","2","143","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","DMAP","","","- C25 H26 N2 O2 -","- C25 H26 N2 O2 -","- C100 H104 N8 O8 -","4","1","","Kim, Sonam; Lee, Hyuck Jin; Nam, Eunju; Jeong, Donghyun; Cho, Jaeheung; Lim, Mi Hee; You, Youngmin","Tailoring Hydrophobic Interactions between Probes and Amyloid-β Peptides for Fluorescent Monitoring of Amyloid-β Aggregation.","ACS omega","2018","3","5","5141","5154","10.1021/acsomega.8b00286","","","0.71073","MoKa","","0.1092","0.0752","","","0.1237","0.1347","","","","","","1.174","","","","has coordinates","226031","2020-10-21","18:00:00",""
"4515968","9.8032","0.0002","10.2942","0.0003","32.2199","0.0008","84.987","0.001","82.061","0.001","79.035","0.001","3155.3","0.14","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H18 F2 N2 -","- C27 H18 F2 N2 -","- C162 H108 F12 N12 -","6","3","","Adak, Anirban; Panda, Tamas; Raveendran, Anju; Bejoymohandas, Kochan Sathyaseelan; Asha, K. S.; Prakasham, A. P.; Mukhopadhyay, Balaram; Panda, Manas K.","Distinct Mechanoresponsive Luminescence, Thermochromism, Vapochromism, and Chlorine Gas Sensing by a Solid-State Organic Emitter.","ACS omega","2018","3","5","5291","5300","10.1021/acsomega.8b00250","","","0.71073","MoKα","","0.1529","0.0539","","","0.1244","0.1686","","","","","","1.006","","","","has coordinates","226032","2020-10-21","18:00:00",""
"4515969","8.1549","0.0007","14.3911","0.0012","16.5026","0.0012","90","","90","","90","","1936.7","0.3","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H28 N2 O3 -","- C22 H28 N2 O3 -","- C88 H112 N8 O12 -","4","1","","Kalshetti, Manojkumar G.; Argade, Narshinha P.","Diastereoselective Synthesis of (±)-<i>epi</i>-Subincanadine C.","ACS omega","2018","3","5","5308","5316","10.1021/acsomega.8b00587","","","0.71073","MoKα","","0.0814","0.0451","","","0.0867","0.1005","","","","","","1.057","","","","has coordinates","226033","2020-10-21","18:00:00",""
"4515970","6.8071","0.0017","23.863","0.006","11.839","0.003","90","","106.646","0.006","90","","1842.5","0.8","296","2","296.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H26 N2 O -","- C22 H26 N2 O -","- C88 H104 N8 O4 -","4","1","","Kalshetti, Manojkumar G.; Argade, Narshinha P.","Diastereoselective Synthesis of (±)-<i>epi</i>-Subincanadine C.","ACS omega","2018","3","5","5308","5316","10.1021/acsomega.8b00587","","","0.71073","MoKα","","0.0611","0.0424","","","0.0951","0.1054","","","","","","1.0451","","","","has coordinates","226034","2020-10-21","18:00:00",""
"4515971","13.9951","0.0007","14.273","0.0008","17.845","0.001","111.769","0.002","91.652","0.002","90.047","0.002","3308.7","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C64 H28.36 Cl8 Cu I7.64 N7 -","- C64 H28.3603 Cl8 Cu I7.6397 N7 -","- C128 H56.7206 Cl16 Cu2 I15.2794 N14 -","2","1","","Thomassen, Ivar K.; McCormick, Laura J.; Ghosh, Abhik","Synthesis and Molecular Structure of a Copper Octaiodocorrole.","ACS omega","2018","3","5","5106","5110","10.1021/acsomega.8b00616","","","0.7288","synchrotron","","0.0596","0.0399","","","0.0693","0.0741","","","","","","1.158","","","","has coordinates,has disorder","226035","2020-10-21","18:00:00",""
"4515972","9.3213","0.0009","10.4713","0.0009","13.69","0.0012","74.53","0.003","72.545","0.003","75.112","0.003","1205.56","0.19","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H29 N O2 -","- C30 H29 N O2 -","- C60 H58 N2 O4 -","2","1","","Yang, Ren-Yin; Sun, Jing; Yan, Chao-Guo","HOAc-Mediated Domino Diels-Alder Reaction for Synthesis of Spiro[cyclohexane-1,3'-indolines] in Ionic Liquid [Bmim]Br.","ACS omega","2018","3","5","5406","5416","10.1021/acsomega.8b00464","","","0.71073","MoKα","","0.0962","0.0552","","","0.1264","0.1437","","","","","","1.019","","","","has coordinates","226036","2020-10-21","18:00:00",""
"4515973","10.7035","0.0008","11.4095","0.0009","14.0481","0.001","73.172","0.002","79.467","0.002","69.183","0.002","1528.8","0.2","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C40 H33 N O2 -","- C40 H33 N O2 -","- C80 H66 N2 O4 -","2","1","","Yang, Ren-Yin; Sun, Jing; Yan, Chao-Guo","HOAc-Mediated Domino Diels-Alder Reaction for Synthesis of Spiro[cyclohexane-1,3'-indolines] in Ionic Liquid [Bmim]Br.","ACS omega","2018","3","5","5406","5416","10.1021/acsomega.8b00464","","","0.71073","MoKα","","0.0921","0.0543","","","0.1196","0.1353","","","","","","1.026","","","","has coordinates","226036","2020-10-21","18:00:00",""
"4515974","10.5416","0.0008","12.2467","0.0009","14.2079","0.0011","68.214","0.002","81.502","0.003","69.115","0.002","1591.1","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H32 Cl N O2 -","- C40 H32 Cl N O2 -","- C80 H64 Cl2 N2 O4 -","2","1","","Yang, Ren-Yin; Sun, Jing; Yan, Chao-Guo","HOAc-Mediated Domino Diels-Alder Reaction for Synthesis of Spiro[cyclohexane-1,3'-indolines] in Ionic Liquid [Bmim]Br.","ACS omega","2018","3","5","5406","5416","10.1021/acsomega.8b00464","","","0.71073","MoKα","","0.2065","0.0792","","","0.1654","0.2081","","","","","","1.008","","","","has coordinates","226036","2020-10-21","18:00:00",""
"4515975","11.358","0.0005","17.3299","0.0008","14.9918","0.0007","90","","104.821","0.0014","90","","2852.7","0.2","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34 H36 F N O3 -","- C34 H36 F N O3 -","- C136 H144 F4 N4 O12 -","4","1","","Yang, Ren-Yin; Sun, Jing; Yan, Chao-Guo","HOAc-Mediated Domino Diels-Alder Reaction for Synthesis of Spiro[cyclohexane-1,3'-indolines] in Ionic Liquid [Bmim]Br.","ACS omega","2018","3","5","5406","5416","10.1021/acsomega.8b00464","","","0.71073","MoKα","","0.0912","0.0511","","","0.1167","0.1337","","","","","","1.025","","","","has coordinates,has disorder","226036","2020-10-21","18:00:00",""
"4515976","10.1699","0.0012","11.6903","0.0014","12.6092","0.0014","96.819","0.004","108.525","0.003","113.464","0.003","1251","0.3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H23 N O4 -","- C32 H23 N O4 -","- C64 H46 N2 O8 -","2","1","","Yang, Ren-Yin; Sun, Jing; Yan, Chao-Guo","HOAc-Mediated Domino Diels-Alder Reaction for Synthesis of Spiro[cyclohexane-1,3'-indolines] in Ionic Liquid [Bmim]Br.","ACS omega","2018","3","5","5406","5416","10.1021/acsomega.8b00464","","","0.71073","MoKα","","0.1023","0.0518","","","0.1099","0.1287","","","","","","1.024","","","","has coordinates","226036","2020-10-21","18:00:00",""
"4515977","10.7169","0.0009","14.4134","0.0012","13.8384","0.0011","90","","100.691","0.0015","90","","2100.5","0.3","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C16 H34 Br N Ni P2 -","- C16 H34 Br N Ni P2 -","- C64 H136 Br4 N4 Ni4 P8 -","4","2","","Wellala, Nadeesha P. N.; Luebking, John D.; Krause, Jeanette A.; Guan, Hairong","Roles of Hydrogen Bonding in Proton Transfer to κ<sup>P</sup>,κ<sup>N</sup>,κ<sup>P</sup>-N(CH<sub>2</sub>CH<sub>2</sub>P <i> <sup>i</sup> </i> Pr<sub>2</sub>)<sub>2</sub>-Ligated Nickel Pincer Complexes.","ACS omega","2018","3","5","4986","5001","10.1021/acsomega.8b00777","","","1.0333","synchrotron","","0.0338","0.0285","","","0.0589","0.0607","","","","","","1.023","","","","has coordinates","226037","2020-10-21","18:00:00",""
"4515978","8.6545","0.0008","10.983","0.0009","23.2849","0.0019","90","","90.049","0.003","90","","2213.3","0.3","150","2","150","2","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C16 H37 Br2 N Ni P2 -","- C16 H37 Br2 N Ni P2 -","- C64 H148 Br8 N4 Ni4 P8 -","4","2","","Wellala, Nadeesha P. N.; Luebking, John D.; Krause, Jeanette A.; Guan, Hairong","Roles of Hydrogen Bonding in Proton Transfer to κ<sup>P</sup>,κ<sup>N</sup>,κ<sup>P</sup>-N(CH<sub>2</sub>CH<sub>2</sub>P <i> <sup>i</sup> </i> Pr<sub>2</sub>)<sub>2</sub>-Ligated Nickel Pincer Complexes.","ACS omega","2018","3","5","4986","5001","10.1021/acsomega.8b00777","","","0.7749","synchrotron","","0.0889","0.0543","","","0.0902","0.1","","","","","","1.002","","","","has coordinates","226037","2020-10-21","18:00:00",""
"4515979","10.0515","0.0004","12.4032","0.0005","18.8698","0.0007","90","","96.8592","0.0013","90","","2335.67","0.16","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H41 N Ni P2 -","- C22 H41 N Ni P2 -","- C88 H164 N4 Ni4 P8 -","4","1","","Wellala, Nadeesha P. N.; Luebking, John D.; Krause, Jeanette A.; Guan, Hairong","Roles of Hydrogen Bonding in Proton Transfer to κ<sup>P</sup>,κ<sup>N</sup>,κ<sup>P</sup>-N(CH<sub>2</sub>CH<sub>2</sub>P <i> <sup>i</sup> </i> Pr<sub>2</sub>)<sub>2</sub>-Ligated Nickel Pincer Complexes.","ACS omega","2018","3","5","4986","5001","10.1021/acsomega.8b00777","","","0.71073","MoKα","","0.0308","0.0251","","","0.0582","0.0617","","","","","","1.081","","","","has coordinates","226037","2020-10-21","18:00:00",""
"4515980","10.1178","0.0005","12.3184","0.0006","18.8095","0.0009","90","","96.5365","0.0008","90","","2329.1","0.2","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H39 N Ni P2 -","- C22 H39 N Ni P2 -","- C88 H156 N4 Ni4 P8 -","4","1","","Wellala, Nadeesha P. N.; Luebking, John D.; Krause, Jeanette A.; Guan, Hairong","Roles of Hydrogen Bonding in Proton Transfer to κ<sup>P</sup>,κ<sup>N</sup>,κ<sup>P</sup>-N(CH<sub>2</sub>CH<sub>2</sub>P <i> <sup>i</sup> </i> Pr<sub>2</sub>)<sub>2</sub>-Ligated Nickel Pincer Complexes.","ACS omega","2018","3","5","4986","5001","10.1021/acsomega.8b00777","","","0.71073","MoKα","","0.0422","0.03","","","0.0716","0.0777","","","","","","1.026","","","","has coordinates","226037","2020-10-21","18:00:00",""
"4515981","8.0453","0.0007","26.962","0.002","11.6488","0.001","90","","94.268","0.003","90","","2519.8","0.4","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H42 Br N Ni P2 -","- C22 H42 Br N Ni P2 -","- C88 H168 Br4 N4 Ni4 P8 -","4","1","","Wellala, Nadeesha P. N.; Luebking, John D.; Krause, Jeanette A.; Guan, Hairong","Roles of Hydrogen Bonding in Proton Transfer to κ<sup>P</sup>,κ<sup>N</sup>,κ<sup>P</sup>-N(CH<sub>2</sub>CH<sub>2</sub>P <i> <sup>i</sup> </i> Pr<sub>2</sub>)<sub>2</sub>-Ligated Nickel Pincer Complexes.","ACS omega","2018","3","5","4986","5001","10.1021/acsomega.8b00777","","","0.7749","synchrotron","","0.0594","0.0398","","","0.0875","0.0953","","","","","","1.025","","","","has coordinates","226037","2020-10-21","18:00:00",""
"4515982","8.5129","0.0011","14.7798","0.0019","10.922","0.0014","90","","98.3608","0.0019","90","","1359.6","0.3","150","2","150","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C22 H42 F6 N Ni P3 -","- C22 H42 F6 N Ni P3 -","- C44 H84 F12 N2 Ni2 P6 -","2","0.5","","Wellala, Nadeesha P. N.; Luebking, John D.; Krause, Jeanette A.; Guan, Hairong","Roles of Hydrogen Bonding in Proton Transfer to κ<sup>P</sup>,κ<sup>N</sup>,κ<sup>P</sup>-N(CH<sub>2</sub>CH<sub>2</sub>P <i> <sup>i</sup> </i> Pr<sub>2</sub>)<sub>2</sub>-Ligated Nickel Pincer Complexes.","ACS omega","2018","3","5","4986","5001","10.1021/acsomega.8b00777","","","0.71073","MoKα","","0.0486","0.0429","","","0.1141","0.1185","","","","","","1.031","","","","has coordinates,has disorder","226037","2020-10-21","18:00:00",""
"4515983","23.872","0.003","12.8733","0.0014","32.405","0.003","90","","102.298","0.003","90","","9729.9","1.9","150","2","150","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C52 H74 B N Ni O1.5 P2 -","- C52 H74 B N Ni O1.5 P2 -","- C416 H592 B8 N8 Ni8 O12 P16 -","8","1","","Wellala, Nadeesha P. N.; Luebking, John D.; Krause, Jeanette A.; Guan, Hairong","Roles of Hydrogen Bonding in Proton Transfer to κ<sup>P</sup>,κ<sup>N</sup>,κ<sup>P</sup>-N(CH<sub>2</sub>CH<sub>2</sub>P <i> <sup>i</sup> </i> Pr<sub>2</sub>)<sub>2</sub>-Ligated Nickel Pincer Complexes.","ACS omega","2018","3","5","4986","5001","10.1021/acsomega.8b00777","","","0.71073","MoKα","","0.0749","0.045","","","0.1041","0.1173","","","","","","1.01","","","","has coordinates","226037","2020-10-21","18:00:00",""
"4515984","32.1922","0.0009","15.3802","0.0004","17.2936","0.0005","90","","119.352","0.001","90","","7463.2","0.4","150","2","150","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C68 H85 Cl4 D24 N2 Ni3 O0.5 P4 -","- C68 H85 Cl4 D24 N2 Ni3 O0.5 P4 -","- C272 H340 Cl16 D96 N8 Ni12 O2 P16 -","4","0.5","","Wellala, Nadeesha P. N.; Luebking, John D.; Krause, Jeanette A.; Guan, Hairong","Roles of Hydrogen Bonding in Proton Transfer to κ<sup>P</sup>,κ<sup>N</sup>,κ<sup>P</sup>-N(CH<sub>2</sub>CH<sub>2</sub>P <i> <sup>i</sup> </i> Pr<sub>2</sub>)<sub>2</sub>-Ligated Nickel Pincer Complexes.","ACS omega","2018","3","5","4986","5001","10.1021/acsomega.8b00777","","","1.54178","CuKα","","0.0449","0.0396","","","0.1051","0.1098","","","","","","1.019","","","","has coordinates,has disorder","226037","2020-10-21","18:00:00",""
"4515985","7.5986","0.0004","8.7665","0.0005","17.3743","0.0009","76.1042","0.0019","85.058","0.002","67.0003","0.0018","1034.14","0.1","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H39 N Ni P2 -","- C17 H39 N Ni P2 -","- C34 H78 N2 Ni2 P4 -","2","1","","Wellala, Nadeesha P. N.; Luebking, John D.; Krause, Jeanette A.; Guan, Hairong","Roles of Hydrogen Bonding in Proton Transfer to κ<sup>P</sup>,κ<sup>N</sup>,κ<sup>P</sup>-N(CH<sub>2</sub>CH<sub>2</sub>P <i> <sup>i</sup> </i> Pr<sub>2</sub>)<sub>2</sub>-Ligated Nickel Pincer Complexes.","ACS omega","2018","3","5","4986","5001","10.1021/acsomega.8b00777","","","0.7749","synchrotron","","0.058","0.0364","","","0.0644","0.0726","","","","","","1.072","","","","has coordinates,has disorder","226037","2020-10-21","18:00:00",""
"4515986","12.6037","0.0007","8.7388","0.0006","19.9677","0.0012","90","","99.276","0.002","90","","2170.5","0.2","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C17 H40 Cl N Ni P2 -","- C17 H40 Cl N Ni P2 -","- C68 H160 Cl4 N4 Ni4 P8 -","4","1","","Wellala, Nadeesha P. N.; Luebking, John D.; Krause, Jeanette A.; Guan, Hairong","Roles of Hydrogen Bonding in Proton Transfer to κ<sup>P</sup>,κ<sup>N</sup>,κ<sup>P</sup>-N(CH<sub>2</sub>CH<sub>2</sub>P <i> <sup>i</sup> </i> Pr<sub>2</sub>)<sub>2</sub>-Ligated Nickel Pincer Complexes.","ACS omega","2018","3","5","4986","5001","10.1021/acsomega.8b00777","","","0.71073","MoKα","","0.0362","0.0267","","","0.0617","0.066","","","","","","1.068","","","","has coordinates","226037","2020-10-21","18:00:00",""
"4515987","12.7823","0.0007","8.7196","0.0005","20.1343","0.001","90","","99.226","0.002","90","","2215.1","0.2","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C17 H40 Br N Ni P2 -","- C17 H40 Br N Ni P2 -","- C68 H160 Br4 N4 Ni4 P8 -","4","1","","Wellala, Nadeesha P. N.; Luebking, John D.; Krause, Jeanette A.; Guan, Hairong","Roles of Hydrogen Bonding in Proton Transfer to κ<sup>P</sup>,κ<sup>N</sup>,κ<sup>P</sup>-N(CH<sub>2</sub>CH<sub>2</sub>P <i> <sup>i</sup> </i> Pr<sub>2</sub>)<sub>2</sub>-Ligated Nickel Pincer Complexes.","ACS omega","2018","3","5","4986","5001","10.1021/acsomega.8b00777","","","0.7749","synchrotron","","0.0319","0.0251","","","0.0605","0.0634","","","","","","1.027","","","","has coordinates","226037","2020-10-21","18:00:00",""
"4515988","17.6124","0.0013","12.9737","0.001","18.4955","0.0013","90","","112.686","0.0013","90","","3899.2","0.5","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C41 H60 B N Ni P2 -","- C41 H60 B N Ni P2 -","- C164 H240 B4 N4 Ni4 P8 -","4","1","","Wellala, Nadeesha P. N.; Luebking, John D.; Krause, Jeanette A.; Guan, Hairong","Roles of Hydrogen Bonding in Proton Transfer to κ<sup>P</sup>,κ<sup>N</sup>,κ<sup>P</sup>-N(CH<sub>2</sub>CH<sub>2</sub>P <i> <sup>i</sup> </i> Pr<sub>2</sub>)<sub>2</sub>-Ligated Nickel Pincer Complexes.","ACS omega","2018","3","5","4986","5001","10.1021/acsomega.8b00777","","","1.0333","synchrotron","","0.0325","0.0288","","","0.068","0.0699","","","","","","1.06","","","","has coordinates","226037","2020-10-21","18:00:00",""
"4515989","8.7102","0.0003","10.8084","0.0004","22.818","0.0007","90","","90.016","0.001","90","","2148.16","0.13","150","2","150","2","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C16 H37 Cl2 N Ni P2 -","- C16 H37 Cl2 N Ni P2 -","- C64 H148 Cl8 N4 Ni4 P8 -","4","2","","Wellala, Nadeesha P. N.; Luebking, John D.; Krause, Jeanette A.; Guan, Hairong","Roles of Hydrogen Bonding in Proton Transfer to κ<sup>P</sup>,κ<sup>N</sup>,κ<sup>P</sup>-N(CH<sub>2</sub>CH<sub>2</sub>P <i> <sup>i</sup> </i> Pr<sub>2</sub>)<sub>2</sub>-Ligated Nickel Pincer Complexes.","ACS omega","2018","3","5","4986","5001","10.1021/acsomega.8b00777","","","0.71073","MoKα","","0.0235","0.0211","","","0.0471","0.0485","","","","","","1.049","","","","has coordinates","226037","2020-10-21","18:00:00",""
"4515990","18.8225","0.0005","18.8225","0.0005","8.3226","0.0003","90","","90","","90","","2948.58","0.15","150","2","150","2","","","","","","","","5","P 42/n :2","-P 4bc","86","","","","- C12 H21 I N2 Ni -","- C12 H21 I N2 Ni -","- C96 H168 I8 N16 Ni8 -","8","1","","Wellala, Nadeesha P. N.; Luebking, John D.; Krause, Jeanette A.; Guan, Hairong","Roles of Hydrogen Bonding in Proton Transfer to κ<sup>P</sup>,κ<sup>N</sup>,κ<sup>P</sup>-N(CH<sub>2</sub>CH<sub>2</sub>P <i> <sup>i</sup> </i> Pr<sub>2</sub>)<sub>2</sub>-Ligated Nickel Pincer Complexes.","ACS omega","2018","3","5","4986","5001","10.1021/acsomega.8b00777","","","0.71073","MoKα","","0.0245","0.0189","","","0.0389","0.0411","","","","","","1.067","","","","has coordinates","226037","2020-10-21","18:00:00",""
"4515991","29.3277","0.0014","21.7233","0.0018","15.2203","0.0005","90","","103.351","0.004","90","","9434.7","1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C48 H30 Eu2 N12 O12 -","- C48 H31 Eu2 N12 O12 -","- C192 H124 Eu8 N48 O48 -","4","1","","Yao, Jin; Zhao, Yan-Wu; Zhang, Xian-Ming","Breathing Europium-Terbium Co-doped Luminescent MOF as a Broad-Range Ratiometric Thermometer with a Contrasting Temperature-Intensity Relationship.","ACS omega","2018","3","5","5754","5760","10.1021/acsomega.8b00199","","","0.71073","MoKα","","0.1917","0.1499","","","0.3856","0.4087","","","","","","1.161","","","","has coordinates","226038","2020-10-21","18:00:00",""
"4515992","12.9768","0.0012","15.5079","0.0015","23.549","0.002","90","","96.737","0.001","90","","4706.3","0.7","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C64 H100 N8 Ni4 O36 Y4 -","- C64 H100 N8 Ni4 O36 Y4 -","- C128 H200 N16 Ni8 O72 Y8 -","2","0.5","","Kalita, Pankaj; Goura, Joydeb; Herrera, Juan Manuel; Colacio, Enrique; Chandrasekhar, Vadapalli","Heterometallic Octanuclear Ni<sup>II</sup><sub>4</sub>Ln<sup>III</sup><sub>4</sub> (Ln = Y, Gd, Tb, Dy, Ho, Er) Complexes Containing Ni<sup>II</sup><sub>2</sub>Ln<sup>III</sup><sub>2</sub>O<sub>4</sub> Distorted Cubane Motifs: Synthesis, Structure, and Magnetic Properties.","ACS omega","2018","3","5","5202","5211","10.1021/acsomega.8b00292","","x-ray","0.71073","MoKα","","0.092","0.0457","","","0.0959","0.1098","","","","","","1.012","","","","has coordinates","226039","2020-10-21","18:00:00",""
"4515993","12.8381","0.0006","15.4317","0.0006","23.4889","0.001","90","","96.593","0.003","90","","4622.7","0.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C64 H100 Gd4 N8 Ni4 O36 -","- C64 H100 Gd4 N8 Ni4 O36 -","- C128 H200 Gd8 N16 Ni8 O72 -","2","0.5","","Kalita, Pankaj; Goura, Joydeb; Herrera, Juan Manuel; Colacio, Enrique; Chandrasekhar, Vadapalli","Heterometallic Octanuclear Ni<sup>II</sup><sub>4</sub>Ln<sup>III</sup><sub>4</sub> (Ln = Y, Gd, Tb, Dy, Ho, Er) Complexes Containing Ni<sup>II</sup><sub>2</sub>Ln<sup>III</sup><sub>2</sub>O<sub>4</sub> Distorted Cubane Motifs: Synthesis, Structure, and Magnetic Properties.","ACS omega","2018","3","5","5202","5211","10.1021/acsomega.8b00292","","x-ray","0.71073","MoKα","","0.0464","0.037","","","0.0985","0.1032","","","","","","1.035","","","","has coordinates","226039","2020-10-21","18:00:00",""
"4515994","12.9219","0.0008","15.516","0.001","23.5346","0.0013","90","","96.576","0.003","90","","4687.6","0.5","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C64 H100 N8 Ni4 O36 Tb4 -","- C64 H100 N8 Ni4 O36 Tb4 -","- C128 H200 N16 Ni8 O72 Tb8 -","2","0.5","","Kalita, Pankaj; Goura, Joydeb; Herrera, Juan Manuel; Colacio, Enrique; Chandrasekhar, Vadapalli","Heterometallic Octanuclear Ni<sup>II</sup><sub>4</sub>Ln<sup>III</sup><sub>4</sub> (Ln = Y, Gd, Tb, Dy, Ho, Er) Complexes Containing Ni<sup>II</sup><sub>2</sub>Ln<sup>III</sup><sub>2</sub>O<sub>4</sub> Distorted Cubane Motifs: Synthesis, Structure, and Magnetic Properties.","ACS omega","2018","3","5","5202","5211","10.1021/acsomega.8b00292","","x-ray","0.71073","MoKα","","0.09","0.052","","","0.1333","0.1574","","","","","","1.058","","","","has coordinates","226039","2020-10-21","18:00:00",""
"4515995","12.832","0.003","15.413","0.003","23.419","0.005","90","","96.765","0.004","90","","4599.6","1.7","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C64 H100 Dy4 N8 Ni4 O36 -","- C64 H100 Dy4 N8 Ni4 O36 -","- C128 H200 Dy8 N16 Ni8 O72 -","2","0.5","","Kalita, Pankaj; Goura, Joydeb; Herrera, Juan Manuel; Colacio, Enrique; Chandrasekhar, Vadapalli","Heterometallic Octanuclear Ni<sup>II</sup><sub>4</sub>Ln<sup>III</sup><sub>4</sub> (Ln = Y, Gd, Tb, Dy, Ho, Er) Complexes Containing Ni<sup>II</sup><sub>2</sub>Ln<sup>III</sup><sub>2</sub>O<sub>4</sub> Distorted Cubane Motifs: Synthesis, Structure, and Magnetic Properties.","ACS omega","2018","3","5","5202","5211","10.1021/acsomega.8b00292","","x-ray","0.71073","MoKα","","0.0702","0.0484","","","0.1129","0.1313","","","","","","1.061","","","","has coordinates","226039","2020-10-21","18:00:00",""
"4515996","12.9771","0.0007","15.5019","0.0008","23.5655","0.0013","90","","96.714","0.003","90","","4708.2","0.4","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C64 H100 Ho4 N8 Ni4 O36 -","- C64 H100 Ho4 N8 Ni4 O36 -","- C128 H200 Ho8 N16 Ni8 O72 -","2","0.5","","Kalita, Pankaj; Goura, Joydeb; Herrera, Juan Manuel; Colacio, Enrique; Chandrasekhar, Vadapalli","Heterometallic Octanuclear Ni<sup>II</sup><sub>4</sub>Ln<sup>III</sup><sub>4</sub> (Ln = Y, Gd, Tb, Dy, Ho, Er) Complexes Containing Ni<sup>II</sup><sub>2</sub>Ln<sup>III</sup><sub>2</sub>O<sub>4</sub> Distorted Cubane Motifs: Synthesis, Structure, and Magnetic Properties.","ACS omega","2018","3","5","5202","5211","10.1021/acsomega.8b00292","","x-ray","0.71073","MoKα","","0.0542","0.0357","","","0.0757","0.0831","","","","","","0.978","","","","has coordinates","226039","2020-10-21","18:00:00",""
"4515997","12.9222","0.0003","15.4758","0.0003","23.4658","0.0004","90","","96.601","0.001","90","","4661.61","0.16","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C64 H100 Er4 N8 Ni4 O36 -","- C64 H100 Er4 N8 Ni4 O36 -","- C128 H200 Er8 N16 Ni8 O72 -","2","0.5","","Kalita, Pankaj; Goura, Joydeb; Herrera, Juan Manuel; Colacio, Enrique; Chandrasekhar, Vadapalli","Heterometallic Octanuclear Ni<sup>II</sup><sub>4</sub>Ln<sup>III</sup><sub>4</sub> (Ln = Y, Gd, Tb, Dy, Ho, Er) Complexes Containing Ni<sup>II</sup><sub>2</sub>Ln<sup>III</sup><sub>2</sub>O<sub>4</sub> Distorted Cubane Motifs: Synthesis, Structure, and Magnetic Properties.","ACS omega","2018","3","5","5202","5211","10.1021/acsomega.8b00292","","x-ray","0.71073","MoKα","","0.0844","0.043","","","0.0977","0.1159","","","","","","1.007","","","","has coordinates","226039","2020-10-21","18:00:00",""
"4515998","7.72","0.004","8.727","0.005","11.731","0.006","82.547","0.013","79.592","0.013","67.366","0.012","715.9","0.7","296.15","","296.15","","","","","","","","","4","P -1","-P 1","2","","","","- C13 H18 N4 S -","- C13 H18 N4 S -","- C26 H36 N8 S2 -","2","1","","Siddaraju, Yogesh; Prabhu, Kandikere Ramaiah","Iodine-Catalyzed Chemoselective Hydroamination Reaction Using 5-Mercaptotetrazoles Derivatives.","ACS omega","2018","3","5","4908","4917","10.1021/acsomega.8b00499","","x-ray","0.71073","MoKα","","0.1661","0.0424","","","0.1198","0.1286","","","","","","1.128","","","","has coordinates","226040","2020-10-21","18:00:00",""
"4515999","17.0948","0.0003","7.0396","0.0001","17.6526","0.0003","90","","91.814","0.001","90","","2123.26","0.06","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H30 Au B Cl P -","- C21 H30 Au B Cl P -","- C84 H120 Au4 B4 Cl4 P4 -","4","1","","Boom, Devin H. A.; Ehlers, Andreas W.; Nieger, Martin; Devillard, Marc; Bouhadir, Ghenwa; Bourissou, Didier; Slootweg, J. Chris","Gold(I) Complexes of the Geminal Phosphinoborane <i>t</i>Bu<sub>2</sub>PCH<sub>2</sub>BPh<sub>2</sub>.","ACS omega","2018","3","4","3945","3951","10.1021/acsomega.8b00143","","","0.71073","MoKα","","0.0399","0.0347","","","0.0788","0.0824","","","","","","1.065","","","","has coordinates","226042","2020-10-21","18:00:00",""
"4516000","28.3351","0.0008","11.3935","0.0003","27.095","0.0007","90","","112.237","0.003","90","","8096.7","0.4","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C42 H60 Au B2 Cl P2 -","- C42 H60 Au B2 Cl P2 -","- C336 H480 Au8 B16 Cl8 P16 -","8","1","","Boom, Devin H. A.; Ehlers, Andreas W.; Nieger, Martin; Devillard, Marc; Bouhadir, Ghenwa; Bourissou, Didier; Slootweg, J. Chris","Gold(I) Complexes of the Geminal Phosphinoborane <i>t</i>Bu<sub>2</sub>PCH<sub>2</sub>BPh<sub>2</sub>.","ACS omega","2018","3","4","3945","3951","10.1021/acsomega.8b00143","","","0.71073","MoKα","","0.0428","0.0319","","","0.0672","0.0728","","","","","","1.04","","","","has coordinates","226042","2020-10-21","18:00:00",""
"4516001","19.0712","0.0008","18.7238","0.0007","23.2135","0.001","90","","90","","90","","8289.2","0.6","123","2","123","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C44 H57 Au B Cl P2 -","- C44 H57 Au B Cl P2 -","- C352 H456 Au8 B8 Cl8 P16 -","8","1","","Boom, Devin H. A.; Ehlers, Andreas W.; Nieger, Martin; Devillard, Marc; Bouhadir, Ghenwa; Bourissou, Didier; Slootweg, J. Chris","Gold(I) Complexes of the Geminal Phosphinoborane <i>t</i>Bu<sub>2</sub>PCH<sub>2</sub>BPh<sub>2</sub>.","ACS omega","2018","3","4","3945","3951","10.1021/acsomega.8b00143","","","0.71073","MoKα","","0.0464","0.0272","","","0.049","0.056","","","","","","1.081","","","","has coordinates","226042","2020-10-21","18:00:00",""
"4516002","11.398","0.003","13.023","0.003","18.513","0.004","100.166","0.004","103.867","0.004","110.924","0.004","2385.6","1","296","2","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C40 H40 Ag2 Br4 N4 -","- C40 H40 Ag2 Br4 N4 -","- C80 H80 Ag4 Br8 N8 -","2","1","","Liu, Qing-Xiang; Hu, Ze-Liang; Yu, Shao-Cong; Zhao, Zhi-Xiang; Wei, Deng-Che; Li, Hui-Long","NHC Pd(II) and Ag(I) Complexes: Synthesis, Structure, and Catalytic Activity in Three Types of C-C Coupling Reactions.","ACS omega","2018","3","4","4035","4047","10.1021/acsomega.8b00205","","","0.71073","MoKα","","0.1238","0.0855","","","0.2535","0.2918","","","","","","1.049","","","","has coordinates","226043","2020-10-21","18:00:00",""
"4516003","8.4181","0.0006","29.944","0.002","15.6855","0.0009","90","","108.026","0.003","90","","3759.8","0.4","173","2","173.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C39 H38 Ag2 Br2 Cl2 N6 -","- C39 H38 Ag2 Br2 Cl2 N6 -","- C156 H152 Ag8 Br8 Cl8 N24 -","4","1","","Liu, Qing-Xiang; Hu, Ze-Liang; Yu, Shao-Cong; Zhao, Zhi-Xiang; Wei, Deng-Che; Li, Hui-Long","NHC Pd(II) and Ag(I) Complexes: Synthesis, Structure, and Catalytic Activity in Three Types of C-C Coupling Reactions.","ACS omega","2018","3","4","4035","4047","10.1021/acsomega.8b00205","","","0.71073","MoKα","","0.0795","0.0748","","","0.1795","0.1822","","","","","","1.034","","","","has coordinates,has disorder","226044","2020-10-21","18:00:00",""
"4516004","13.0472","0.001","12.5773","0.001","18.2141","0.0015","90","","90.564","0.001","90","","2988.8","0.4","173","2","173.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H34 Ag2 Br2 N4 -","- C32 H34 Ag2 Br2 N4 -","- C128 H136 Ag8 Br8 N16 -","4","1","","Liu, Qing-Xiang; Hu, Ze-Liang; Yu, Shao-Cong; Zhao, Zhi-Xiang; Wei, Deng-Che; Li, Hui-Long","NHC Pd(II) and Ag(I) Complexes: Synthesis, Structure, and Catalytic Activity in Three Types of C-C Coupling Reactions.","ACS omega","2018","3","4","4035","4047","10.1021/acsomega.8b00205","","","0.71073","MoKα","","0.0423","0.0314","","","0.0733","0.0782","","","","","","1.04","","","","has coordinates","226045","2020-10-21","18:00:00",""
"4516005","20.0687","0.0014","8.9504","0.0006","18.1404","0.0013","90","","106.464","0.001","90","","3124.8","0.4","296","2","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H34 Cl4 N4 Pd2 -","- C30 H34 Cl4 N4 Pd2 -","- C120 H136 Cl16 N16 Pd8 -","4","1","","Liu, Qing-Xiang; Hu, Ze-Liang; Yu, Shao-Cong; Zhao, Zhi-Xiang; Wei, Deng-Che; Li, Hui-Long","NHC Pd(II) and Ag(I) Complexes: Synthesis, Structure, and Catalytic Activity in Three Types of C-C Coupling Reactions.","ACS omega","2018","3","4","4035","4047","10.1021/acsomega.8b00205","","","0.71073","MoKα","","0.0451","0.04","","","0.1128","0.1166","","","","","","1.096","","","","has coordinates","226046","2020-10-21","18:00:00",""
"4516006","6.2327","0.0003","10.6629","0.0006","27.47","0.0013","90","","90","","90","","1825.62","0.16","100.01","0.1","100.01","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H26 N2 O5 -","- C18 H26 N2 O5 -","- C72 H104 N8 O20 -","4","1","","Nandi, Sujay Kumar; Maji, Krishnendu; Haldar, Debasish","Self-Healing Hydrogel from a Dipeptide and HCl Sensing.","ACS omega","2018","3","4","3744","3751","10.1021/acsomega.8b00358","","x-ray","0.71073","MoKα","","0.0519","0.0457","","","0.1173","0.1231","","","","","","1.045","","","","has coordinates","226047","2020-10-21","18:00:00",""
"4516007","20.8293","0.0005","7.7968","0.0001","22.183","0.0005","90","","113.025","0.003","90","","3315.56","0.14","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C32 H32 N10 O10 -","- C32 H32 N10 O10 -","- C128 H128 N40 O40 -","4","1","","Havel, Václav; Sadilová, Tereza; Šindelář, Vladimír","Unsubstituted Bambusurils: Post-Macrocyclization Modification of Versatile Intermediates.","ACS omega","2018","3","4","4657","4663","10.1021/acsomega.8b00497","","","0.71073","MoKα","","0.0539","0.0389","","","0.0946","0.1031","","","","","","1.031","","","","has coordinates","226048","2020-10-21","18:00:00",""
"4516008","7.2243","0.001","8.0299","0.0011","9.8872","0.0013","110.099","0.002","90.348","0.002","98.938","0.002","531","0.13","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H5 F3 N4 S -","- C10 H5 F3 N4 S -","- C20 H10 F6 N8 S2 -","2","1","","Liu, Jin; Wang, Yu-Ling; Zhang, Ji-Hong; Yang, Jian-Shan; Mou, Han-Chuan; Lin, Jun; Yan, Sheng-Jiao","Phosphatase CDC25B Inhibitors Produced by Basic Alumina-Supported One-Pot Gram-Scale Synthesis of Fluorinated 2-Alkylthio-4-aminoquinazolines Using Microwave Irradiation.","ACS omega","2018","3","4","4534","4544","10.1021/acsomega.8b00640","","","0.71073","MoKα","","0.0503","0.0355","","","0.0928","0.1094","","","","","","1.052","","","","has coordinates","226049","2020-10-21","18:00:00",""
"4516009","6.07198","0.00018","26.2431","0.0007","11.6359","0.0003","90","","96.071","0.002","90","","1843.75","0.09","180","","180","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1-(7-benzyl-4-phenyl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)pyrrolidine-2,5-dione","","- C23 H18 N4 O2 -","- C23 H18 N4 O2 -","- C92 H72 N16 O8 -","4","1","","Sabat, Nazarii; Poštová Slavětínská, Lenka; Klepetářová, Blanka; Hocek, Michal","C-H Imidation of 7-Deazapurines.","ACS omega","2018","3","4","4674","4678","10.1021/acsomega.8b00520","","x-ray","1.54184","CuKα","","0.047","0.0414","","0.0547","0.0481","0.0481","","","","","","1.1098","","","","has coordinates","226050","2020-10-21","18:00:00",""
"4516010","5.2108","0.0003","17.0359","0.001","21.6439","0.0013","98.767","0.001","92.401","0.001","94.199","0.001","1891.05","0.19","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C48 H54 Co1.5 N6 -","- C48 H54 Co1.5 N6 -","- C96 H108 Co3 N12 -","2","1","","Koide, Taro; Aritome, Isao; Saeki, Tatsuya; Morita, Yoshitsugu; Shiota, Yoshihito; Yoshizawa, Kazunari; Shimakoshi, Hisashi; Hisaeda, Yoshio","Cobalt-Carbon Bond Formation Reaction via Ligand Reduction of Porphycene-Cobalt(II) Complex and Its Noninnocent Reactivity.","ACS omega","2018","3","4","4027","4034","10.1021/acsomega.8b00239","","","0.71073","MoKα","","0.0823","0.0468","","","0.0798","0.0902","","","","","","1.007","","","","has coordinates","226051","2020-10-21","18:00:00",""
"4516011","23.6733","0.0017","18.9166","0.0013","17.611","0.0013","90","","109.708","0.003","90","","7424.6","0.9","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C72 H68 Cu2 N8 O14 -","- C72 H68 Cu2 N8 O14 -","- C288 H272 Cu8 N32 O56 -","4","1","","Bhattacharyya, Sohini; Chakraborty, Anindita; Hazra, Arpan; Maji, Tapas Kumar","Tetracarboxylate Linker-Based Flexible Cu<sup>II</sup> Frameworks: Efficient Separation of CO<sub>2</sub> from CO<sub>2</sub>/N<sub>2</sub> and C<sub>2</sub>H<sub>2</sub> from C<sub>2</sub>H<sub>2</sub>/C<sub>2</sub>H<sub>4</sub> Mixtures.","ACS omega","2018","3","2","2018","2026","10.1021/acsomega.7b01964","","","0.71073","MoKα","","0.1643","0.104","","","0.2757","0.2958","","","","","","0.961","","","","has coordinates,has disorder","226052","2020-10-21","18:00:00",""
"4516012","44.8511","0.001","19.046","0.0004","14.7115","0.0003","90","","102.38","0.001","90","","12274.8","0.5","295","2","295","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C112 H100 Cu4 N12 O37 -","- C112 H100 Cu4 N12 O37 -","- C448 H400 Cu16 N48 O148 -","4","0.5","","Bhattacharyya, Sohini; Chakraborty, Anindita; Hazra, Arpan; Maji, Tapas Kumar","Tetracarboxylate Linker-Based Flexible Cu<sup>II</sup> Frameworks: Efficient Separation of CO<sub>2</sub> from CO<sub>2</sub>/N<sub>2</sub> and C<sub>2</sub>H<sub>2</sub> from C<sub>2</sub>H<sub>2</sub>/C<sub>2</sub>H<sub>4</sub> Mixtures.","ACS omega","2018","3","2","2018","2026","10.1021/acsomega.7b01964","","","0.71073","MoKα","","0.1148","0.068","","","0.1871","0.217","","","","","","1.034","","","","has coordinates,has disorder","226053","2020-10-21","18:00:00",""
"4516013","32.6621","0.0015","21.5252","0.001","19.0566","0.0009","90","","90","","90","","13397.9","1.1","173","","173","0.3","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- H81.32 K12.87 O150.66 P5 W30 -","- K12.866 O150.662 P5 W30 -","- K51.464 O602.648 P20 W120 -","4","0.5","","Hayashi, Akio; Wihadi, Muh Nur Khoiru; Ota, Hiromi; López, Xavier; Ichihashi, Katsuya; Nishihara, Sadafumi; Inoue, Katsuya; Tsunoji, Nao; Sano, Tsuneji; Sadakane, Masahiro","Preparation of Preyssler-type Phosphotungstate with One Central Potassium Cation and Potassium Cation Migration into the Preyssler Molecule to form Di-Potassium-Encapsulated Derivative.","ACS omega","2018","3","2","2363","2373","10.1021/acsomega.8b00163","","","0.71073","MoKα","","0.0331","0.0229","","","0.0482","0.0522","","","","","","1.073","","","","has coordinates,has disorder","226054","2020-10-21","18:00:00",""
"4516014","12.43","0.004","9.127","0.003","21.477","0.007","90","","90.584","0.008","90","","2436.4","1.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H32 N0 O3 S -","- C27 H32 O3 S -","- C108 H128 O12 S4 -","4","1","","Liu, Teng; Liu, Jianjun; Xia, Shubiao; Meng, Jie; Shen, Xianfu; Zhu, Xiufang; Chen, Wenchang; Sun, Chengke; Cheng, Feixiang","Catalyst-Free 1,6-Conjugate Addition/Aromatization/Sulfonylation of <i>para</i>-Quinone Methides: Facile Access to Diarylmethyl Sulfones.","ACS omega","2018","3","2","1409","1415","10.1021/acsomega.7b01745","","","0.71073","MoKα","","0.2008","0.0744","","","0.2006","0.2529","","","","","","1.025","","","","has coordinates","226055","2020-10-21","18:00:00",""
"4516015","15.7722","0.001","8.8439","0.0007","23.3357","0.0012","90","","128.255","0.003","90","","2556.1","0.3","140","2","140","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C29 H22 F3 N3 O3 S -","- C29 H22 F3 N3 O3 S -","- C116 H88 F12 N12 O12 S4 -","4","1","","Dutta, Champak; Ghorai, Debasish; Choudhury, Joyanta","To ""Rollover"" or Not? Stereoelectronically Guided C-H Functionalization Pathways from Rhodium-Abnormal NHC Intermediates.","ACS omega","2018","3","2","1614","1620","10.1021/acsomega.7b01846","","","0.71073","MoKα","","0.1052","0.0584","","","0.1032","0.1181","","","","","","1.009","","","","has coordinates","226056","2020-10-21","18:00:00",""
"4516016","14.831","0.002","8.5492","0.0013","18.749","0.002","90","","104.09","0.006","90","","2305.7","0.5","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C20 H26 Cl F6 N3 P Rh -","- C20 H26 Cl F6 N3 P Rh -","- C80 H104 Cl4 F24 N12 P4 Rh4 -","4","1","","Dutta, Champak; Ghorai, Debasish; Choudhury, Joyanta","To ""Rollover"" or Not? Stereoelectronically Guided C-H Functionalization Pathways from Rhodium-Abnormal NHC Intermediates.","ACS omega","2018","3","2","1614","1620","10.1021/acsomega.7b01846","","","0.71073","MoKα","","0.0345","0.0308","","","0.0793","0.0817","","","","","","1.019","","","","has coordinates","226057","2020-10-21","18:00:00",""
"4516017","24.1002","0.001","15.1276","0.0006","13.5007","0.0006","90","","116.068","0.002","90","","4421.4","0.3","140","2","140","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H22 F6 N3 P -","- C24 H22 F6 N3 P -","- C192 H176 F48 N24 P8 -","8","1","","Dutta, Champak; Ghorai, Debasish; Choudhury, Joyanta","To ""Rollover"" or Not? Stereoelectronically Guided C-H Functionalization Pathways from Rhodium-Abnormal NHC Intermediates.","ACS omega","2018","3","2","1614","1620","10.1021/acsomega.7b01846","","","0.71073","MoKα","","0.1074","0.0688","","","0.1862","0.2046","","","","","","1.313","","","","has coordinates","226058","2020-10-21","18:00:00",""
"4516018","9.1839","0.0012","27.796","0.004","9.7373","0.0013","90","","94.388","0.004","90","","2478.4","0.6","120","2","120","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C24 H28 Cl F6 N3 P Rh -","- C24 H28 Cl F6 N3 P Rh -","- C96 H112 Cl4 F24 N12 P4 Rh4 -","4","1","","Dutta, Champak; Ghorai, Debasish; Choudhury, Joyanta","To ""Rollover"" or Not? Stereoelectronically Guided C-H Functionalization Pathways from Rhodium-Abnormal NHC Intermediates.","ACS omega","2018","3","2","1614","1620","10.1021/acsomega.7b01846","","","0.71073","MoKα","","0.1078","0.0779","","","0.1589","0.1709","","","","","","1.116","","","","has coordinates","226059","2020-10-21","18:00:00",""
"4516019","11.612","0.0003","13.3307","0.0004","13.8927","0.0005","62.692","0.003","85.611","0.002","70.196","0.003","1789.83","0.12","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H48 Cl2 N4 O Ru -","- C36 H48 Cl2 N4 O Ru -","- C72 H96 Cl4 N8 O2 Ru2 -","2","1","","Kumar, Dharmendra; Prakasham, A. P.; Das, Sharmistha; Datta, Anindya; Ghosh, Prasenjit","Cyanosilylation of Aromatic Aldehydes by Cationic Ruthenium(II) Complexes of Benzimidazole-Derived O-Functionalized N-Heterocyclic Carbenes at Ambient Temperature under Solvent-Free Conditions.","ACS omega","2018","3","2","1922","1938","10.1021/acsomega.7b02090","","","0.71073","MoKα","","0.0243","0.0222","","","0.0526","0.0534","","","","","","1.045","","","","has coordinates","226060","2020-10-21","18:00:00",""
"4516020","11.04197","0.00015","13.3361","0.0003","13.4517","0.0003","69.6572","0.0018","83.3894","0.0013","82.6029","0.0013","1836.57","0.07","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H44 Cl5 N3 O Ru -","- C34 H44 Cl5 N3 O Ru -","- C68 H88 Cl10 N6 O2 Ru2 -","2","1","","Kumar, Dharmendra; Prakasham, A. P.; Das, Sharmistha; Datta, Anindya; Ghosh, Prasenjit","Cyanosilylation of Aromatic Aldehydes by Cationic Ruthenium(II) Complexes of Benzimidazole-Derived O-Functionalized N-Heterocyclic Carbenes at Ambient Temperature under Solvent-Free Conditions.","ACS omega","2018","3","2","1922","1938","10.1021/acsomega.7b02090","","","0.71073","MoKα","","0.0459","0.0418","","","0.1011","0.1036","","","","","","1.037","","","","has coordinates","226060","2020-10-21","18:00:00",""
"4516021","9.9088","0.0002","11.7379","0.0002","14.6956","0.0003","109.254","0.0019","99.6774","0.0018","107.508","0.0018","1469.48","0.06","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H39 Cl2 N3 O2 Ru -","- C30 H39 Cl2 N3 O2 Ru -","- C60 H78 Cl4 N6 O4 Ru2 -","2","1","","Kumar, Dharmendra; Prakasham, A. P.; Das, Sharmistha; Datta, Anindya; Ghosh, Prasenjit","Cyanosilylation of Aromatic Aldehydes by Cationic Ruthenium(II) Complexes of Benzimidazole-Derived O-Functionalized N-Heterocyclic Carbenes at Ambient Temperature under Solvent-Free Conditions.","ACS omega","2018","3","2","1922","1938","10.1021/acsomega.7b02090","","","0.71073","MoKα","","0.0293","0.0248","","","0.0599","0.0616","","","","","","1.043","","","","has coordinates","226060","2020-10-21","18:00:00",""
"4516022","9.8105","0.0003","15.9779","0.0003","14.0138","0.0004","90","","106.163","0.003","90","","2109.85","0.1","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C46 H56 Ag2 N6 O2 -","- C46 H56 Ag2 N6 O2 -","- C92 H112 Ag4 N12 O4 -","2","0.5","","Kumar, Dharmendra; Prakasham, A. P.; Das, Sharmistha; Datta, Anindya; Ghosh, Prasenjit","Cyanosilylation of Aromatic Aldehydes by Cationic Ruthenium(II) Complexes of Benzimidazole-Derived O-Functionalized N-Heterocyclic Carbenes at Ambient Temperature under Solvent-Free Conditions.","ACS omega","2018","3","2","1922","1938","10.1021/acsomega.7b02090","","x-ray","0.71073","MoKα","","0.0287","0.0272","","","0.0715","0.0723","","","","","","1.056","","","","has coordinates","226060","2020-10-21","18:00:00",""
"4516023","11.585","0.0009","11.6149","0.0011","13.2151","0.0012","99.42","0.002","113.923","0.004","103.89","0.003","1508.1","0.2","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H29 N2 O7 S2 -","- C33 H28 N2 O7 S2 -","- C66 H56 N4 O14 S4 -","2","1","","Wang, Ai-Fang; Hao, Wen-Juan; Zhu, Yi-Long; Li, Guigen; Zhou, Peng; Tu, Shu-Jiang; Jiang, Bo","Double SO<sub>2</sub> Insertion into 1,7-Diynes Leading to Functionalized Naphtho[1,2-<i>c</i>]thiophene 2,2-dioxides.","ACS omega","2018","3","2","1482","1491","10.1021/acsomega.7b01789","","","0.71073","MoKα","","0.1491","0.0647","","","0.1491","0.1827","","","","","","0.833","","","","has coordinates,has disorder","226061","2020-10-21","18:00:00",""
"4516024","8.6965","0.0017","13.393","0.003","21.541","0.004","90","","95.392","0.003","90","","2497.8","0.9","100","2","100.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H33 Cl2 N3 Pd -","- C25 H33 Cl2 N3 Pd -","- C100 H132 Cl8 N12 Pd4 -","4","1","","Singh, Chandan; Prakasham, A. P.; Gangwar, Manoj Kumar; Butcher, Raymond J.; Ghosh, Prasenjit","One-Pot Tandem Hiyama Alkynylation/Cyclizations by Palladium(II) Acyclic Diaminocarbene (ADC) Complexes Yielding Biologically Relevant Benzofuran Scaffolds.","ACS omega","2018","3","2","1740","1756","10.1021/acsomega.7b01974","","","0.71075","MoKα","","0.0289","0.026","","","0.0651","0.0668","","","","","","1.052","","","","has coordinates","226062","2020-10-21","18:00:00",""
"4516025","14.7426","0.0006","8.5735","0.0003","19.6079","0.0008","90","","90","","90","","2478.35","0.17","296","2","296","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C24 H31 Cl2 N3 Pd -","- C24 H31 Cl2 N3 Pd -","- C96 H124 Cl8 N12 Pd4 -","4","1","","Singh, Chandan; Prakasham, A. P.; Gangwar, Manoj Kumar; Butcher, Raymond J.; Ghosh, Prasenjit","One-Pot Tandem Hiyama Alkynylation/Cyclizations by Palladium(II) Acyclic Diaminocarbene (ADC) Complexes Yielding Biologically Relevant Benzofuran Scaffolds.","ACS omega","2018","3","2","1740","1756","10.1021/acsomega.7b01974","","","0.71073","MoKα","","0.0973","0.0522","","","0.0875","0.1029","","","","","","1.005","","","","has coordinates","226062","2020-10-21","18:00:00",""
"4516026","8.6515","0.0002","13.5074","0.0003","21.4232","0.0006","90","","98.636","0.003","90","","2475.12","0.11","150","2","150","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H30 Cl2 N3 O Pd -","- C24 H31 Cl2 N3 O Pd -","- C96 H124 Cl8 N12 O4 Pd4 -","4","1","","Singh, Chandan; Prakasham, A. P.; Gangwar, Manoj Kumar; Butcher, Raymond J.; Ghosh, Prasenjit","One-Pot Tandem Hiyama Alkynylation/Cyclizations by Palladium(II) Acyclic Diaminocarbene (ADC) Complexes Yielding Biologically Relevant Benzofuran Scaffolds.","ACS omega","2018","3","2","1740","1756","10.1021/acsomega.7b01974","","","0.71073","MoKα","","0.0413","0.0337","","","0.0716","0.0771","","","","","","1.077","","","","has coordinates","226062","2020-10-21","18:00:00",""
"4516027","8.5727","0.0003","9.0053","0.0004","26.1687","0.001","90","","90","","90","","2020.22","0.14","150","","150","","","","","","","","local","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H30 Cl N O4 -","- C22 H30 Cl N O4 -","- C88 H120 Cl4 N4 O16 -","4","1","","Lan, Ping; Herlt, Anthony J.; Willis, Anthony C.; Taylor, Walter C.; Mander, Lewis N.","Structures of New Alkaloids from Rain Forest Trees <i>Galbulimima belgraveana</i> and <i>Galbulimima baccata</i> in Papua New Guinea, Indonesia, and Northern Australia.","ACS omega","2018","3","2","1912","1921","10.1021/acsomega.7b02065","","","1.54184","CuKα","","0.0664","0.0646","","0.1817","0.1801","0.1817","","","","","","1.0212","","","","has coordinates","226063","2020-10-21","18:00:00",""
"4516028","7.8673","0.0002","9.5188","0.0002","26.3409","0.0005","90","","90","","90","","1972.6","0.08","150","","150","","","","","","","","local","4","P 21 21 21","P 2ac 2ab","19","","","","- C21.488 H33.976 N O3 -","- C21.489 H33.976 N O3 -","- C85.956 H135.904 N4 O12 -","4","1","","Lan, Ping; Herlt, Anthony J.; Willis, Anthony C.; Taylor, Walter C.; Mander, Lewis N.","Structures of New Alkaloids from Rain Forest Trees <i>Galbulimima belgraveana</i> and <i>Galbulimima baccata</i> in Papua New Guinea, Indonesia, and Northern Australia.","ACS omega","2018","3","2","1912","1921","10.1021/acsomega.7b02065","","","1.54184","CuKα","","0.0324","0.0313","","0.0785","0.0776","0.0785","","","","","","1.0016","","","","has coordinates","226064","2020-10-21","18:00:00",""
"4516029","8.3874","0.0003","10.6644","0.0006","13.5952","0.0007","69.268","0.005","89.374","0.004","71.779","0.004","1073.44","0.1","150","","150","","","","","","","","local","4","P 1","P 1","1","","","","- C24 H33 N O5 -","- C24 H33 N O5 -","- C48 H66 N2 O10 -","2","2","","Lan, Ping; Herlt, Anthony J.; Willis, Anthony C.; Taylor, Walter C.; Mander, Lewis N.","Structures of New Alkaloids from Rain Forest Trees <i>Galbulimima belgraveana</i> and <i>Galbulimima baccata</i> in Papua New Guinea, Indonesia, and Northern Australia.","ACS omega","2018","3","2","1912","1921","10.1021/acsomega.7b02065","","","1.54184","CuKα","","0.047","0.0465","","0.1294","0.1287","0.1294","","","","","","1.0188","","","","has coordinates","226065","2020-10-21","18:00:00",""
"4516030","7.4614","0.0001","9.6133","0.0001","28.5458","0.0002","90","","90","","90","","2047.55","0.04","150","","150","","","","","","","","local","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H32 Cl N O2 -","- C21 H32 Cl N O2 -","- C84 H128 Cl4 N4 O8 -","4","1","","Lan, Ping; Herlt, Anthony J.; Willis, Anthony C.; Taylor, Walter C.; Mander, Lewis N.","Structures of New Alkaloids from Rain Forest Trees <i>Galbulimima belgraveana</i> and <i>Galbulimima baccata</i> in Papua New Guinea, Indonesia, and Northern Australia.","ACS omega","2018","3","2","1912","1921","10.1021/acsomega.7b02065","","","1.54184","CuKα","","0.0241","0.0236","","0.0613","0.0609","0.0613","","","","","","1.0098","","","","has coordinates","226066","2020-10-21","18:00:00",""
"4516031","9.0105","0.0001","13.7999","0.0001","33.4435","0.0002","90","","90","","90","","4158.5","0.06","150","","150","","","","","","","","local","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H32 Cl N O4 -","- C22 H32 Cl N O4 -","- C176 H256 Cl8 N8 O32 -","8","2","","Lan, Ping; Herlt, Anthony J.; Willis, Anthony C.; Taylor, Walter C.; Mander, Lewis N.","Structures of New Alkaloids from Rain Forest Trees <i>Galbulimima belgraveana</i> and <i>Galbulimima baccata</i> in Papua New Guinea, Indonesia, and Northern Australia.","ACS omega","2018","3","2","1912","1921","10.1021/acsomega.7b02065","","","1.54184","CuKα","","0.0342","0.0329","","0.0825","0.0818","0.0825","","","","","","1.0279","","","","has coordinates","226067","2020-10-21","18:00:00",""
"4516032","12.707","0.0006","18.741","0.001","19.0369","0.0008","90","","90","","90","","4533.5","0.4","150","","150","","","","","","","","local","4","P 21 21 21","P 2ac 2ab","19","","","","- C46 H70 N2 O8 -","- C46 H70 N2 O8 -","- C184 H280 N8 O32 -","4","1","","Lan, Ping; Herlt, Anthony J.; Willis, Anthony C.; Taylor, Walter C.; Mander, Lewis N.","Structures of New Alkaloids from Rain Forest Trees <i>Galbulimima belgraveana</i> and <i>Galbulimima baccata</i> in Papua New Guinea, Indonesia, and Northern Australia.","ACS omega","2018","3","2","1912","1921","10.1021/acsomega.7b02065","","","1.54184","CuKα","","0.0913","0.067","","0.1712","0.1562","0.1712","","","","","","0.9869","","","","has coordinates","226068","2020-10-21","18:00:00",""
"4516033","10.1135","0.0003","8.7052","0.0001","11.4139","0.0003","90","","113.189","0.003","90","","923.7","0.04","150","","150","","","","","","","","local","5","P 1 21 1","P 2yb","4","","","","- C21 H30 Cl N O2 -","- C21 H30 Cl N O2 -","- C42 H60 Cl2 N2 O4 -","2","1","","Lan, Ping; Herlt, Anthony J.; Willis, Anthony C.; Taylor, Walter C.; Mander, Lewis N.","Structures of New Alkaloids from Rain Forest Trees <i>Galbulimima belgraveana</i> and <i>Galbulimima baccata</i> in Papua New Guinea, Indonesia, and Northern Australia.","ACS omega","2018","3","2","1912","1921","10.1021/acsomega.7b02065","","","1.54184","CuKα","","0.0314","0.0307","","0.084","0.0831","0.084","","","","","","1.0051","","","","has coordinates","226069","2020-10-21","18:00:00",""
"4516034","20.5724","0.0006","9.8586","0.0003","9.7866","0.0003","90","","97.143","0.003","90","","1969.47","0.1","100.01","0.1","100.01","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H20 Cl N3 O5 -","- C21 H20 Cl N3 O5 -","- C84 H80 Cl4 N12 O20 -","4","1","","Joshi, Mayank; Roy Choudhury, Angshuman","Salts of Amoxapine with Improved Solubility for Enhanced Pharmaceutical Applicability.","ACS omega","2018","3","2","2406","2416","10.1021/acsomega.7b02023","","x-ray","0.71073","MoKα","","0.0997","0.0677","","","0.1684","0.1989","","","","","","1.076","","","","has coordinates","226070","2020-10-21","18:00:00",""
"4516035","21.344","0.0009","9.9544","0.0004","17.4685","0.0008","90","","102.041","0.004","90","","3629.8","0.3","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C37 H40 Cl2 N6 O8 -","- C37 H40 Cl2 N6 O8 -","- C148 H160 Cl8 N24 O32 -","4","1","","Joshi, Mayank; Roy Choudhury, Angshuman","Salts of Amoxapine with Improved Solubility for Enhanced Pharmaceutical Applicability.","ACS omega","2018","3","2","2406","2416","10.1021/acsomega.7b02023","","x-ray","0.71073","MoKα","","0.0712","0.0571","","","0.138","0.1475","","","","","","1.077","","","","has coordinates,has disorder","226071","2020-10-21","18:00:00",""
"4516036","9.2238","0.0002","12.4815","0.0002","17.0725","0.0003","86.285","0.001","89.375","0.002","82.224","0.002","1943.33","0.06","100","0.2","100","0.2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H42 Cl2 N6 O10 -","- C40 H42 Cl2 N6 O10 -","- C80 H84 Cl4 N12 O20 -","2","1","","Joshi, Mayank; Roy Choudhury, Angshuman","Salts of Amoxapine with Improved Solubility for Enhanced Pharmaceutical Applicability.","ACS omega","2018","3","2","2406","2416","10.1021/acsomega.7b02023","","x-ray","0.71073","MoKα","","0.0519","0.0418","","","0.1095","0.1188","","","","","","1.064","","","","has coordinates","226072","2020-10-21","18:00:00",""
"4516037","15.721","0.0002","19.4546","0.0003","25.7568","0.0004","90","","97.94","0.002","90","","7802.1","0.2","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H48 Cl2 N6 O11 -","- C38 H48 Cl2 N6 O11 -","- C304 H384 Cl16 N48 O88 -","8","2","","Joshi, Mayank; Roy Choudhury, Angshuman","Salts of Amoxapine with Improved Solubility for Enhanced Pharmaceutical Applicability.","ACS omega","2018","3","2","2406","2416","10.1021/acsomega.7b02023","","x-ray","0.71073","MoKα","","0.1405","0.0699","","","0.1711","0.2243","","","","","","1.037","","","","has coordinates","226073","2020-10-21","18:00:00",""
"4516038","11.085","0.003","16.394","0.005","17.644","0.005","71.995","0.013","83.901","0.012","83.563","0.013","3021.4","1.5","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C22.75 H23 Cl2 Fe N12 O12.75 -","- C22.75 H20 Cl2 Fe N12 O12.75 -","- C91 H80 Cl8 Fe4 N48 O51 -","4","2","","Kimura, Akifumi; Ishida, Takayuki","Spin-Crossover Temperature Predictable from DFT Calculation for Iron(II) Complexes with 4-Substituted Pybox and Related Heteroaromatic Ligands.","ACS omega","2018","3","6","6737","6747","10.1021/acsomega.8b01095","","","0.71073","MoKα","","0.1395","0.0731","","","0.1603","0.1887","","","","","","1.034","","","","has coordinates,has disorder","226074","2020-10-21","18:00:00",""
"4516039","9.678","0.003","9.79","0.003","16.669","0.005","85.581","0.015","80.683","0.016","81.201","0.015","1538","0.8","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C23 H24 Br2 Cl2 Fe N6 O13 -","- C23 H20 Br2 Cl2 Fe N6 O13 -","- C46 H40 Br4 Cl4 Fe2 N12 O26 -","2","1","","Kimura, Akifumi; Ishida, Takayuki","Spin-Crossover Temperature Predictable from DFT Calculation for Iron(II) Complexes with 4-Substituted Pybox and Related Heteroaromatic Ligands.","ACS omega","2018","3","6","6737","6747","10.1021/acsomega.8b01095","","","0.71073","MoKα","","0.0481","0.0438","","","0.1016","0.1038","","","","","","1.104","","","","has coordinates,has disorder","226074","2020-10-21","18:00:00",""
"4516040","14.284","0.002","15.268","0.003","17.484","0.003","90","","90","","90","","3813.1","1.1","100","","100","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C34 H36 Cl2 Fe N8 O14 -","- C34 H36 Cl2 Fe N8 O14 -","- C136 H144 Cl8 Fe4 N32 O56 -","4","1","","Kimura, Akifumi; Ishida, Takayuki","Spin-Crossover Temperature Predictable from DFT Calculation for Iron(II) Complexes with 4-Substituted Pybox and Related Heteroaromatic Ligands.","ACS omega","2018","3","6","6737","6747","10.1021/acsomega.8b01095","","","0.71073","MoKα","","0.0659","0.0495","","","0.1163","0.1241","","","","","","1.044","","","","has coordinates","226074","2020-10-21","18:00:00",""
"4516041","10.4074","0.0003","8.6512","0.0003","18.1328","0.0006","90","","101.926","0.003","90","","1597.37","0.09","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C8 H12 F6 O6 Pt S2 -","- C8 H12 F6 O6 Pt S2 -","- C32 H48 F24 O24 Pt4 S8 -","4","1","","Mishra, Vishwesh; Thirupathi, Natesan","Critical Role of Anions in Platinum(II) Precursors upon the Structural Motifs of Six-Membered Cycloplatinated <i>N</i>,<i>N</i>',<i>N</i>″-Triarylguanidines.","ACS omega","2018","3","6","6075","6090","10.1021/acsomega.8b00782","","","0.71073","MoKα","","0.0211","0.0194","","","0.042","0.0427","","","","","","1.137","","","","has coordinates,has disorder","226075","2020-10-21","18:00:00",""
"4516042","17.013","0.0007","8.5689","0.0003","16.9747","0.0008","90","","105.959","0.005","90","","2379.24","0.18","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H24 F3 N3 O5 -","- C24 H24 F3 N3 O5 -","- C96 H96 F12 N12 O20 -","4","1","","Mishra, Vishwesh; Thirupathi, Natesan","Critical Role of Anions in Platinum(II) Precursors upon the Structural Motifs of Six-Membered Cycloplatinated <i>N</i>,<i>N</i>',<i>N</i>″-Triarylguanidines.","ACS omega","2018","3","6","6075","6090","10.1021/acsomega.8b00782","","","0.71073","MoKα","","0.0569","0.0519","","","0.1231","0.1264","","","","","","1.065","","","","has coordinates","226075","2020-10-21","18:00:00",""
"4516043","12.0242","0.0007","13.0156","0.0007","14.2406","0.001","91.582","0.005","102.85","0.005","102.152","0.005","2117.7","0.2","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C47 H49 Cl N6 O2 Pt -","- C47 H48 Cl N6 O2 Pt -","- C94 H96 Cl2 N12 O4 Pt2 -","2","1","","Mishra, Vishwesh; Thirupathi, Natesan","Critical Role of Anions in Platinum(II) Precursors upon the Structural Motifs of Six-Membered Cycloplatinated <i>N</i>,<i>N</i>',<i>N</i>″-Triarylguanidines.","ACS omega","2018","3","6","6075","6090","10.1021/acsomega.8b00782","","","0.71073","MoKα","","0.0414","0.0342","","","0.0792","0.0826","","","","","","1.059","","","","has coordinates","226075","2020-10-21","18:00:00",""
"4516044","12.8497","0.0003","13.011","0.0004","14.5696","0.0004","113.345","0.003","91.507","0.002","100.935","0.002","2181.88","0.12","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C46 H45 F3 N6 O2 Pt -","- C46 H42 F3 N6 O2 Pt -","- C92 H84 F6 N12 O4 Pt2 -","2","1","","Mishra, Vishwesh; Thirupathi, Natesan","Critical Role of Anions in Platinum(II) Precursors upon the Structural Motifs of Six-Membered Cycloplatinated <i>N</i>,<i>N</i>',<i>N</i>″-Triarylguanidines.","ACS omega","2018","3","6","6075","6090","10.1021/acsomega.8b00782","","","0.71073","MoKα","","0.0417","0.0323","","","0.0771","0.081","","","","","","1.05","","","","has coordinates,has disorder","226075","2020-10-21","18:00:00",""
"4516045","20.2522","0.0007","8.1634","0.0003","15.925","0.0005","90","","94.862","0.003","90","","2623.36","0.16","298","2","298","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C26 H28 F3 N3 O3 Pt S -","- C26 H28 F3 N3 O3 Pt S -","- C104 H112 F12 N12 O12 Pt4 S4 -","4","1","","Mishra, Vishwesh; Thirupathi, Natesan","Critical Role of Anions in Platinum(II) Precursors upon the Structural Motifs of Six-Membered Cycloplatinated <i>N</i>,<i>N</i>',<i>N</i>″-Triarylguanidines.","ACS omega","2018","3","6","6075","6090","10.1021/acsomega.8b00782","","","0.71073","MoKα","","0.0547","0.0491","","","0.0988","0.1011","","","","","","1.182","","","","has coordinates,has disorder","226075","2020-10-21","18:00:00",""
"4516046","20.8435","0.0006","7.8008","0.0002","34.8632","0.0011","90","","90","","90","","5668.6","0.3","298","2","298","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C26 H28 F3 N3 O6 Pt S -","- C26 H28 F3 N3 O6 Pt S -","- C208 H224 F24 N24 O48 Pt8 S8 -","8","1","","Mishra, Vishwesh; Thirupathi, Natesan","Critical Role of Anions in Platinum(II) Precursors upon the Structural Motifs of Six-Membered Cycloplatinated <i>N</i>,<i>N</i>',<i>N</i>″-Triarylguanidines.","ACS omega","2018","3","6","6075","6090","10.1021/acsomega.8b00782","","","0.71073","MoKα","","0.0658","0.0564","","","0.0933","0.0959","","","","","","1.31","","","","has coordinates","226075","2020-10-21","18:00:00",""
"4516047","11.2411","0.001","13.8079","0.0013","14.6138","0.0014","90.265","0.005","106.81","0.004","109.349","0.004","2036","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H46 Cl2 N6 Pt -","- C44 H46 Cl2 N6 Pt -","- C88 H92 Cl4 N12 Pt2 -","2","1","","Mishra, Vishwesh; Thirupathi, Natesan","Critical Role of Anions in Platinum(II) Precursors upon the Structural Motifs of Six-Membered Cycloplatinated <i>N</i>,<i>N</i>',<i>N</i>″-Triarylguanidines.","ACS omega","2018","3","6","6075","6090","10.1021/acsomega.8b00782","","","0.71073","MoKα","","0.0863","0.0569","","","0.1382","0.1574","","","","","","1.038","","","","has coordinates","226075","2020-10-21","18:00:00",""
"4516048","9.7792","0.0003","18.2967","0.0005","11.3037","0.0003","90","","98.915","0.003","90","","1998.1","0.1","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C44 H44 Cl2 N6 Pt2 -","- C44 H36 Cl2 N6 Pt2 -","- C88 H72 Cl4 N12 Pt4 -","2","0.5","","Mishra, Vishwesh; Thirupathi, Natesan","Critical Role of Anions in Platinum(II) Precursors upon the Structural Motifs of Six-Membered Cycloplatinated <i>N</i>,<i>N</i>',<i>N</i>″-Triarylguanidines.","ACS omega","2018","3","6","6075","6090","10.1021/acsomega.8b00782","","","0.71073","MoKα","","0.0431","0.0377","","","0.0853","0.0878","","","","","","1.189","","","","has coordinates","226075","2020-10-21","18:00:00",""
"4516049","11.4693","0.0003","15.1911","0.0003","16.1768","0.0003","99.025","0.001","105.146","0.002","106.101","0.002","2532.71","0.11","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C57 H64 Cl2 N6 Pt2 -","- C57 H52 Cl2 N6 Pt2 -","- C114 H104 Cl4 N12 Pt4 -","2","1","","Mishra, Vishwesh; Thirupathi, Natesan","Critical Role of Anions in Platinum(II) Precursors upon the Structural Motifs of Six-Membered Cycloplatinated <i>N</i>,<i>N</i>',<i>N</i>″-Triarylguanidines.","ACS omega","2018","3","6","6075","6090","10.1021/acsomega.8b00782","","","0.71073","MoKα","","0.052","0.034","","","0.0777","0.0861","","","","","","1.071","","","","has coordinates,has disorder","226075","2020-10-21","18:00:00",""
"4516050","12.3755","0.0004","18.4144","0.0005","22.6884","0.0007","90","","94.834","0.003","90","","5152","0.3","298","2","298","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C49 H46 Cl2 F6 N6 O4 Pt2 -","- C49 H40 Cl2 F6 N6 O4 Pt2 -","- C196 H160 Cl8 F24 N24 O16 Pt8 -","4","1","","Mishra, Vishwesh; Thirupathi, Natesan","Critical Role of Anions in Platinum(II) Precursors upon the Structural Motifs of Six-Membered Cycloplatinated <i>N</i>,<i>N</i>',<i>N</i>″-Triarylguanidines.","ACS omega","2018","3","6","6075","6090","10.1021/acsomega.8b00782","","","0.71073","MoKα","","0.0695","0.0463","","","0.0793","0.0876","","","","","","1.041","","","","has coordinates,has disorder","226075","2020-10-21","18:00:00",""
"4516051","20.463","0.002","8.8637","0.0009","14.0198","0.0014","90","","111.426","0.003","90","","2367.1","0.4","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C25 H19 N11 O4 -","- C25 H17 N11 O4 -","- C100 H68 N44 O16 -","4","0.5","","De, Avik; Mondal, Raju","Toxic Metal Sequestration Exploiting a Unprecedented Low-Molecular-Weight Hydrogel-to-Metallogel Transformation.","ACS omega","2018","3","6","6022","6030","10.1021/acsomega.8b00758","","","0.71073","MoKα","","0.1414","0.0591","","","0.1253","0.1614","","","","","","0.945","","","","has coordinates","226076","2020-10-21","18:00:00",""
"4516052","7.1699","0.0004","20.7822","0.001","12.9758","0.0007","90","","102.72","0.005","90","","1886.02","0.18","270","2","270","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C19 H14 Ag Cl N4 O4 -","- C19 H14 Ag Cl N4 O4 -","- C76 H56 Ag4 Cl4 N16 O16 -","4","1","","Santos, Ane F.; Ferreira, Isabella P.; Pinheiro, Carlos B.; Santos, Verlane G.; Lopes, Miriam T. P.; Teixeira, Letícia R; Rocha, Willian R.; Rodrigues, Gabriel L. S.; Beraldo, Heloisa","[Ag(L)NO<sub>3</sub>] Complexes with 2-Benzoylpyridine-Derived Hydrazones: Cytotoxic Activity and Interaction with Biomolecules.","ACS omega","2018","3","6","7027","7035","10.1021/acsomega.8b00533","","x-ray","0.71073","MoKα","","0.0644","0.0356","","","0.0722","0.0862","","","","","","1.046","","","","has coordinates","226077","2020-10-21","18:00:00",""
"4516053","12.3045","0.0005","14.5456","0.0007","21.5645","0.0008","90","","97.044","0.004","90","","3830.4","0.3","120","2","120","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C20 H17 Ag N4 O4 -","- C20 H17 Ag N4 O4 -","- C160 H136 Ag8 N32 O32 -","8","1","","Santos, Ane F.; Ferreira, Isabella P.; Pinheiro, Carlos B.; Santos, Verlane G.; Lopes, Miriam T. P.; Teixeira, Letícia R; Rocha, Willian R.; Rodrigues, Gabriel L. S.; Beraldo, Heloisa","[Ag(L)NO<sub>3</sub>] Complexes with 2-Benzoylpyridine-Derived Hydrazones: Cytotoxic Activity and Interaction with Biomolecules.","ACS omega","2018","3","6","7027","7035","10.1021/acsomega.8b00533","","x-ray","0.71073","MoKα","","0.0515","0.0337","","","0.0592","0.0648","","","","","","1.023","","","","has coordinates","226078","2020-10-21","18:00:00",""
"4516054","9.0545","0.0002","9.0558","0.0002","21.896","0.0005","90","","91.239","0.002","90","","1794.96","0.07","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H15 Ag N4 O4 -","- C19 H15 Ag N4 O4 -","- C76 H60 Ag4 N16 O16 -","4","1","","Santos, Ane F.; Ferreira, Isabella P.; Pinheiro, Carlos B.; Santos, Verlane G.; Lopes, Miriam T. P.; Teixeira, Letícia R; Rocha, Willian R.; Rodrigues, Gabriel L. S.; Beraldo, Heloisa","[Ag(L)NO<sub>3</sub>] Complexes with 2-Benzoylpyridine-Derived Hydrazones: Cytotoxic Activity and Interaction with Biomolecules.","ACS omega","2018","3","6","7027","7035","10.1021/acsomega.8b00533","","x-ray","0.71073","MoKα","","0.0458","0.0289","","","0.0501","0.0571","","","","","","1.096","","","","has coordinates","226079","2020-10-21","18:00:00",""
"4516055","10.275","0.002","9.5886","0.0018","14.718","0.003","90","","97.405","0.003","90","","1438","0.5","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H21 N O5 -","- C14 H21 N O5 -","- C56 H84 N4 O20 -","4","1","","Hu, Xing-Mei; Zhou, Bei; Yang, Chang-Long; Lin, Jun; Yan, Sheng-Jiao","Site-Selective Reaction of Enaminones and Enamine Esters for the Synthesis of Novel Diverse Morphan Derivatives.","ACS omega","2018","3","6","5994","6005","10.1021/acsomega.8b00726","","","0.71073","MoKα","","0.0746","0.045","","","0.1147","0.129","","","","","","1.035","","","","has coordinates","226080","2020-10-21","18:00:00",""
"4516056","11.496","","12.24","","13.457","","79.41","","67.16","","71.68","","1652.5","","100","2","100.15","","","","","","","","","5","P -1","-P 1","2","","","","- C29 H33 F N2 O6 -","- C29 H33 F N2 O6 -","- C58 H66 F2 N4 O12 -","2","1","","Hu, Xing-Mei; Zhou, Bei; Yang, Chang-Long; Lin, Jun; Yan, Sheng-Jiao","Site-Selective Reaction of Enaminones and Enamine Esters for the Synthesis of Novel Diverse Morphan Derivatives.","ACS omega","2018","3","6","5994","6005","10.1021/acsomega.8b00726","","","0.71073","MoKα","","0.0729","0.0472","","","0.1184","0.1286","","","","","","1.053","","","","has coordinates","226081","2020-10-21","18:00:00",""
"4516057","8.7813","0.0011","8.4703","0.0011","24.136","0.003","90","","93.158","0.002","90","","1792.5","0.4","297.15","","297.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H22 F3 N O5 -","- C16 H22 F3 N O5 -","- C64 H88 F12 N4 O20 -","4","1","","Hu, Xing-Mei; Zhou, Bei; Yang, Chang-Long; Lin, Jun; Yan, Sheng-Jiao","Site-Selective Reaction of Enaminones and Enamine Esters for the Synthesis of Novel Diverse Morphan Derivatives.","ACS omega","2018","3","6","5994","6005","10.1021/acsomega.8b00726","","","0.71073","MoKα","","0.1088","0.0587","","","0.1487","0.1776","","","","","","1.035","","","","has coordinates","226082","2020-10-21","18:00:00",""
"4516058","11.1233","0.0011","16.7726","0.0016","12.5093","0.0013","90","","114.965","0.002","90","","2115.8","0.4","297.15","","297.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H26 F N O4 -","- C25 H26 F N O4 -","- C100 H104 F4 N4 O16 -","4","1","","Hu, Xing-Mei; Zhou, Bei; Yang, Chang-Long; Lin, Jun; Yan, Sheng-Jiao","Site-Selective Reaction of Enaminones and Enamine Esters for the Synthesis of Novel Diverse Morphan Derivatives.","ACS omega","2018","3","6","5994","6005","10.1021/acsomega.8b00726","","","0.71073","MoKα","","0.0964","0.0486","","","0.1009","0.1223","","","","","","1.002","","","","has coordinates","226083","2020-10-21","18:00:00",""
"4516059","10.612","0.005","17.232","0.008","21.162","0.01","88.192","0.007","87.296","0.007","79.182","0.007","3796","3","100","2","100","2","","","","","","","synthesis","4","P 1","P 1","1","","Boc-(Val-Val-Aib)4-OMe.3MeOH","","- C63.5 H118 N12 O16.5 -","- C63.5 H118 N12 O16.5 -","- C127 H236 N24 O33 -","2","2","","Tsuji, Genichiro; Misawa, Takashi; Doi, Mitsunobu; Demizu, Yosuke","Extent of Helical Induction Caused by Introducing α-Aminoisobutyric Acid into an Oligovaline Sequence.","ACS omega","2018","3","6","6395","6399","10.1021/acsomega.8b01030","","","0.71073","MoKα","","0.145","0.0922","","","0.2264","0.2515","","","","","","1.007","","","","has coordinates","255262","2020-10-21","18:00:00",""
"4516060","13.572","0.004","9.116","0.002","21.854","0.006","90","","103.824","0.003","90","","2625.5","1.2","273","","273","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H36 Cl2 N Nb O3 -","- C24 H36 Cl2 N Nb O3 -","- C96 H144 Cl8 N4 Nb4 O12 -","4","1","","Srisupap, Natta; Wised, Kritdikul; Tsutsumi, Ken; Nomura, Kotohiro","Synthesis of (Arylmido)niobium(V) Complexes Containing Ketimide, Phenoxide Ligands, and Some Reactions with Phenols and Alcohols.","ACS omega","2018","3","6","6166","6181","10.1021/acsomega.8b01065","","","0.71075","MoKα","","","0.0246","","","","0.0585","","","","","","1.062","","","","has coordinates","226085","2020-10-21","18:00:00",""
"4516061","9.9108","0.0003","12.5655","0.0005","13.0149","0.0005","95.967","0.003","101.025","0.003","106.341","0.003","1505.05","0.1","93","","93","","","","","","","","","6","P -1","-P 1","2","","","","- C30 H32 Cl2 N Nb O3 -","- C30 H32 Cl2 N Nb O3 -","- C60 H64 Cl4 N2 Nb2 O6 -","2","1","","Srisupap, Natta; Wised, Kritdikul; Tsutsumi, Ken; Nomura, Kotohiro","Synthesis of (Arylmido)niobium(V) Complexes Containing Ketimide, Phenoxide Ligands, and Some Reactions with Phenols and Alcohols.","ACS omega","2018","3","6","6166","6181","10.1021/acsomega.8b01065","","","0.71075","MoKα","","0.033","0.0275","","","0.0702","0.0733","","","","","","1.013","","","","has coordinates","226085","2020-10-21","18:00:00",""
"4516062","15.469","0.003","10.6814","0.0019","24.897","0.004","90","","93.169","0.005","90","","4107.5","1.3","93","","93","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C39 H64 Cl2 N3 Nb O -","- C39 H64 Cl2 N3 Nb O -","- C156 H256 Cl8 N12 Nb4 O4 -","4","1","","Srisupap, Natta; Wised, Kritdikul; Tsutsumi, Ken; Nomura, Kotohiro","Synthesis of (Arylmido)niobium(V) Complexes Containing Ketimide, Phenoxide Ligands, and Some Reactions with Phenols and Alcohols.","ACS omega","2018","3","6","6166","6181","10.1021/acsomega.8b01065","","","0.71075","MoKα","","0.0769","0.0495","","","0.1186","0.1291","","","","","","1.103","","","","has coordinates","226085","2020-10-21","18:00:00",""
"4516063","12.5502","0.0004","14.0719","0.0005","23.5634","0.0009","89.366","0.003","88.443","0.003","75.219","0.003","4022.2","0.3","93","","93","","","","","","","","","5","P -1","-P 1","2","","","","- C40 H66 N3 Nb O -","- C40 H66 N3 Nb O -","- C160 H264 N12 Nb4 O4 -","4","2","","Srisupap, Natta; Wised, Kritdikul; Tsutsumi, Ken; Nomura, Kotohiro","Synthesis of (Arylmido)niobium(V) Complexes Containing Ketimide, Phenoxide Ligands, and Some Reactions with Phenols and Alcohols.","ACS omega","2018","3","6","6166","6181","10.1021/acsomega.8b01065","","","0.71073","MoKα","","0.1584","0.1366","","","0.3099","0.3184","","","","","","1.251","","","","has coordinates","251896","2020-10-21","18:00:00",""
"4516064","11.3778","0.0005","12.9307","0.0005","18.995","0.0006","86.879","0.003","81.525","0.003","77.672","0.003","2699.58","0.18","93","","93","","","","","","","","","6","P -1","-P 1","2","","","","- C45 H55 F15 N3 Nb O3 -","- C45 H55 F15 N3 Nb O3 -","- C90 H110 F30 N6 Nb2 O6 -","2","1","","Srisupap, Natta; Wised, Kritdikul; Tsutsumi, Ken; Nomura, Kotohiro","Synthesis of (Arylmido)niobium(V) Complexes Containing Ketimide, Phenoxide Ligands, and Some Reactions with Phenols and Alcohols.","ACS omega","2018","3","6","6166","6181","10.1021/acsomega.8b01065","","","0.71075","MoKα","","0.0723","0.0643","","","0.1972","0.2013","","","","","","1.043","","","","has coordinates,has disorder","226085","2020-10-21","18:00:00",""
"4516065","11.7181","0.0003","18.3197","0.0005","20.1982","0.0005","90","","91.823","0.002","90","","4333.79","0.19","93","","93","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C39 H64 F9 N4 Nb O -","- C39 H64 F9 N4 Nb O -","- C156 H256 F36 N16 Nb4 O4 -","4","1","","Srisupap, Natta; Wised, Kritdikul; Tsutsumi, Ken; Nomura, Kotohiro","Synthesis of (Arylmido)niobium(V) Complexes Containing Ketimide, Phenoxide Ligands, and Some Reactions with Phenols and Alcohols.","ACS omega","2018","3","6","6166","6181","10.1021/acsomega.8b01065","","","0.71073","MoKα","","0.0387","0.034","","","0.0862","0.089","","","","","","1.07","","","","has coordinates,has disorder","226085","2020-10-21","18:00:00",""
"4516066","17.905","0.003","12.0354","0.0015","19.691","0.003","90","","115.352","0.002","90","","3834.6","1","93","","93","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H48 F12 N3 Nb O2 -","- C32 H48 F12 N3 Nb O2 -","- C128 H192 F48 N12 Nb4 O8 -","4","1","","Srisupap, Natta; Wised, Kritdikul; Tsutsumi, Ken; Nomura, Kotohiro","Synthesis of (Arylmido)niobium(V) Complexes Containing Ketimide, Phenoxide Ligands, and Some Reactions with Phenols and Alcohols.","ACS omega","2018","3","6","6166","6181","10.1021/acsomega.8b01065","","","0.71075","MoKα","","0.0374","0.0313","","","0.0853","0.0946","","","","","","1","","","","has coordinates","226085","2020-10-21","18:00:00",""
"4516067","11.903","0.003","18.13","0.005","20.798","0.006","90","","104.299","0.005","90","","4349","2","93","","93","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C41 H64 F5 N4 Nb O -","- C41 H64 F5 N4 Nb O -","- C164 H256 F20 N16 Nb4 O4 -","4","1","","Srisupap, Natta; Wised, Kritdikul; Tsutsumi, Ken; Nomura, Kotohiro","Synthesis of (Arylmido)niobium(V) Complexes Containing Ketimide, Phenoxide Ligands, and Some Reactions with Phenols and Alcohols.","ACS omega","2018","3","6","6166","6181","10.1021/acsomega.8b01065","","","0.71075","MoKα","","0.1009","0.0736","","","0.1896","0.2163","","","","","","1.058","","","","has coordinates","226085","2020-10-21","18:00:00",""
"4516068","27.6738","0.0003","10.7124","0.0002","24.3659","0.0003","90","","94.188","0.001","90","","7204.05","0.18","180","2","180","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C72 H78 Al2 Er2 N6 O18 -","- C72 H78 Al2 Er2 N6 O18 -","- C288 H312 Al8 Er8 N24 O72 -","4","0.5","","Peng, Yan; Mereacre, Valeriu; Anson, Christopher E.; Powell, Annie K.","Butterfly M<sub>2</sub><sup>III</sup>Er<sub>2</sub> (M<sup>III</sup> = Fe and Al) SMMs: Synthesis, Characterization, and Magnetic Properties.","ACS omega","2018","3","6","6360","6368","10.1021/acsomega.8b00550","","x-ray","1.54184","CuKα","","0.0243","0.0216","","","0.0508","0.0526","","","","","","1.069","","","","has coordinates","226086","2020-10-21","18:00:00",""
"4516069","28.6269","0.0007","10.5683","0.0003","24.3695","0.0005","90","","94.926","0.002","90","","7345.5","0.3","180","2","180","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C72 H78 Er2 Fe2 N6 O18 -","- C72 H78 Er2 Fe2 N6 O18 -","- C288 H312 Er8 Fe8 N24 O72 -","4","0.5","","Peng, Yan; Mereacre, Valeriu; Anson, Christopher E.; Powell, Annie K.","Butterfly M<sub>2</sub><sup>III</sup>Er<sub>2</sub> (M<sup>III</sup> = Fe and Al) SMMs: Synthesis, Characterization, and Magnetic Properties.","ACS omega","2018","3","6","6360","6368","10.1021/acsomega.8b00550","","x-ray","0.71073","MoKα","","0.0307","0.0249","","","0.0476","0.0497","","","","","","1.066","","","","has coordinates","226087","2020-10-21","18:00:00",""
"4516070","15.0669","0.0004","12.2725","0.0003","15.5128","0.0004","90","","90.079","0.002","90","","2868.45","0.13","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H19 Br O Ti -","- C14 H19 Br O Ti -","- C112 H152 Br8 O8 Ti8 -","8","2","","Boyde, Nicholas C.; Steelman, Grant W.; Hanusa, Timothy P.","Multicomponent Mechanochemical Synthesis of Cyclopentadienyl Titanium <i>tert</i>-Butoxy Halides, Cp <sub> <i>x</i> </sub> TiX <sub> <i>y</i> </sub> (O <sup> <i>t</i> </sup> Bu)<sub>4-(<i>x</i>+<i>y</i>)</sub> (<i>x</i>, <i>y</i> = 1, 2; X = Cl, Br).","ACS omega","2018","3","7","8149","8159","10.1021/acsomega.8b00943","","x-ray","0.71073","MoKα","","0.0618","0.0485","","","0.1165","0.1285","","","","","","0.986","","","","has coordinates,has disorder","226088","2020-10-21","18:00:00",""
"4516071","15.01162","0.00013","11.84446","0.00011","15.51368","0.00015","90","","90","","90","","2758.4","0.04","100","","100","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H19 Cl O Ti -","- C14 H19 Cl O Ti -","- C112 H152 Cl8 O8 Ti8 -","8","1","","Boyde, Nicholas C.; Steelman, Grant W.; Hanusa, Timothy P.","Multicomponent Mechanochemical Synthesis of Cyclopentadienyl Titanium <i>tert</i>-Butoxy Halides, Cp <sub> <i>x</i> </sub> TiX <sub> <i>y</i> </sub> (O <sup> <i>t</i> </sup> Bu)<sub>4-(<i>x</i>+<i>y</i>)</sub> (<i>x</i>, <i>y</i> = 1, 2; X = Cl, Br).","ACS omega","2018","3","7","8149","8159","10.1021/acsomega.8b00943","","x-ray","1.54184","CuKα","","0.0241","0.0233","","","0.0593","0.0599","","","","","","1.05","","","","has coordinates","226089","2020-10-21","18:00:00",""
"4516072","12.9173","0.0002","16.12491","0.00019","12.6854","0.0002","90","","111.141","0.002","90","","2464.41","0.07","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H14 Br2 O Ti -","- C9 H14 Br2 O Ti -","- C72 H112 Br16 O8 Ti8 -","8","2","","Boyde, Nicholas C.; Steelman, Grant W.; Hanusa, Timothy P.","Multicomponent Mechanochemical Synthesis of Cyclopentadienyl Titanium <i>tert</i>-Butoxy Halides, Cp <sub> <i>x</i> </sub> TiX <sub> <i>y</i> </sub> (O <sup> <i>t</i> </sup> Bu)<sub>4-(<i>x</i>+<i>y</i>)</sub> (<i>x</i>, <i>y</i> = 1, 2; X = Cl, Br).","ACS omega","2018","3","7","8149","8159","10.1021/acsomega.8b00943","","x-ray","1.54184","CuKα","","0.0322","0.0312","","","0.0812","0.0824","","","","","","1.083","","","","has coordinates","226090","2020-10-21","18:00:00",""
"4516073","12.489","0.0003","11.4556","0.0002","14.6289","0.0003","90","","90","","90","","2092.94","0.08","100","","100","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C10.91 H12.73 Cl1.09 O0.91 Ti -","- C10.91 H12.73 Cl1.09 O0.91 Ti -","- C87.28 H101.84 Cl8.72 O7.28 Ti8 -","8","1","","Boyde, Nicholas C.; Steelman, Grant W.; Hanusa, Timothy P.","Multicomponent Mechanochemical Synthesis of Cyclopentadienyl Titanium <i>tert</i>-Butoxy Halides, Cp <sub> <i>x</i> </sub> TiX <sub> <i>y</i> </sub> (O <sup> <i>t</i> </sup> Bu)<sub>4-(<i>x</i>+<i>y</i>)</sub> (<i>x</i>, <i>y</i> = 1, 2; X = Cl, Br).","ACS omega","2018","3","7","8149","8159","10.1021/acsomega.8b00943","","x-ray","0.71073","MoKα","","0.0319","0.0266","","","0.0635","0.0659","","","","","","1.054","","","","has coordinates,has disorder","226091","2020-10-21","18:00:00",""
"4516074","7.9901","0.0004","17.6571","0.0009","7.9779","0.0004","90","","90.444","0.005","90","","1125.5","0.1","100","0.19","100","0.19","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H15 Cl O Ti -","- C12 H15 Cl O Ti -","- C48 H60 Cl4 O4 Ti4 -","4","1","","Boyde, Nicholas C.; Steelman, Grant W.; Hanusa, Timothy P.","Multicomponent Mechanochemical Synthesis of Cyclopentadienyl Titanium <i>tert</i>-Butoxy Halides, Cp <sub> <i>x</i> </sub> TiX <sub> <i>y</i> </sub> (O <sup> <i>t</i> </sup> Bu)<sub>4-(<i>x</i>+<i>y</i>)</sub> (<i>x</i>, <i>y</i> = 1, 2; X = Cl, Br).","ACS omega","2018","3","7","8149","8159","10.1021/acsomega.8b00943","","x-ray","1.54184","CuKα","","0.0482","0.0476","","","0.1298","0.1304","","","","","","1.161","","","","has coordinates","226092","2020-10-21","18:00:00",""
"4516075","13.089","0.0008","10.6775","0.0006","9.3276","0.0006","90","","90","","90","","1303.6","0.14","223","","223","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C13 H17 Cl O Ti -","- C13 H17 Cl O Ti -","- C52 H68 Cl4 O4 Ti4 -","4","0.5","","Boyde, Nicholas C.; Steelman, Grant W.; Hanusa, Timothy P.","Multicomponent Mechanochemical Synthesis of Cyclopentadienyl Titanium <i>tert</i>-Butoxy Halides, Cp <sub> <i>x</i> </sub> TiX <sub> <i>y</i> </sub> (O <sup> <i>t</i> </sup> Bu)<sub>4-(<i>x</i>+<i>y</i>)</sub> (<i>x</i>, <i>y</i> = 1, 2; X = Cl, Br).","ACS omega","2018","3","7","8149","8159","10.1021/acsomega.8b00943","","x-ray","0.71073","MoKα","","0.0713","0.0601","","","0.1394","0.1461","","","","","","1.154","","","","has coordinates,has disorder","226093","2020-10-21","18:00:00",""
"4516076","7.9674","0.0002","8.6081","0.0003","10.2555","0.0003","87.587","0.001","76.718","0.001","67.665","0.001","632.4","0.03","299","","299.25","","","","","","","","","5","P -1","-P 1","2","","","","- C16 H10 F N O2 -","- C16 H10 F N O2 -","- C32 H20 F2 N2 O4 -","2","1","","Saraiah, Bonagiri; Gautam, Vibha; Acharya, Anand; Pasha, Mohamed Afzal; Ila, Hiriyakkanavar","One-Pot Synthesis of 2-(Het)aryl/alkyl-3-cyanobenzofurans from 2-(2-Bromoaryl)-3-(het)aryl-3-(methylthio)acrylonitriles and Benzyl Carbamate.","ACS omega","2018","3","7","8355","8364","10.1021/acsomega.8b01172","","","0.71073","MoKα","","0.1023","0.0598","","","0.1402","0.1579","","","","","","1.037","","","","has coordinates","226094","2020-10-21","18:00:00",""
"4516077","13.7647","0.0003","13.7647","0.0003","20.651","0.0009","90","","90","","90","","3912.7","0.2","100","2","100","2","","","","","","","","3","I 41/a :2","-I 4ad","88","","","","- C10 H12 N4 -","- C10 H12 N4 -","- C160 H192 N64 -","16","1","","Yunusova, Sevilya N.; Bolotin, Dmitrii S.; Suslonov, Vitalii V.; Vovk, Mikhail A.; Tolstoy, Peter M.; Kukushkin, Vadim Yu","3-Dialkylamino-1,2,4-triazoles via Zn<sup>II</sup>-Catalyzed Acyl Hydrazide-Dialkylcyanamide Coupling.","ACS omega","2018","3","7","7224","7234","10.1021/acsomega.8b01047","","x-ray","1.54184","CuKα","","0.0495","0.0463","","","0.1272","0.132","","","","","","1.053","","","","has coordinates","226095","2020-10-21","18:00:00",""
"4516078","8.4665","0.0006","10.312","0.0007","11.9037","0.0006","100.24","0.005","103.121","0.005","103.246","0.006","955.83","0.12","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C10 H12 N4 -","- C10 H12 N4 -","- C40 H48 N16 -","4","2","","Yunusova, Sevilya N.; Bolotin, Dmitrii S.; Suslonov, Vitalii V.; Vovk, Mikhail A.; Tolstoy, Peter M.; Kukushkin, Vadim Yu","3-Dialkylamino-1,2,4-triazoles via Zn<sup>II</sup>-Catalyzed Acyl Hydrazide-Dialkylcyanamide Coupling.","ACS omega","2018","3","7","7224","7234","10.1021/acsomega.8b01047","","x-ray","1.54184","CuKα","","0.0865","0.0675","","","0.1599","0.1709","","","","","","1.033","","","","has coordinates","226095","2020-10-21","18:00:00",""
"4516079","13.8204","0.0017","7.1084","0.0007","24.264","0.004","90","","105.34","0.014","90","","2298.8","0.5","100","0.1","100","0.1","","","","","","","","5","I 1 2/c 1","-I 2yc","15","","","","- C10 H13 Cl N4 O -","- C10 H13 Cl N4 O -","- C80 H104 Cl8 N32 O8 -","8","1","","Yunusova, Sevilya N.; Bolotin, Dmitrii S.; Suslonov, Vitalii V.; Vovk, Mikhail A.; Tolstoy, Peter M.; Kukushkin, Vadim Yu","3-Dialkylamino-1,2,4-triazoles via Zn<sup>II</sup>-Catalyzed Acyl Hydrazide-Dialkylcyanamide Coupling.","ACS omega","2018","3","7","7224","7234","10.1021/acsomega.8b01047","","x-ray","0.71073","MoKα","","0.0578","0.0472","","","0.121","0.1304","","","","","","1.06","","","","has coordinates","226095","2020-10-21","18:00:00",""
"4516080","14.9349","0.0004","14.9349","0.0004","20.242","0.0006","90","","90","","90","","4515","0.2","200","2","200","2","","","","","","","","4","I 41/a :2","-I 4ad","88","","","","- C11 H14 N4 O -","- C11 H14 N4 O -","- C176 H224 N64 O16 -","16","1","","Yunusova, Sevilya N.; Bolotin, Dmitrii S.; Suslonov, Vitalii V.; Vovk, Mikhail A.; Tolstoy, Peter M.; Kukushkin, Vadim Yu","3-Dialkylamino-1,2,4-triazoles via Zn<sup>II</sup>-Catalyzed Acyl Hydrazide-Dialkylcyanamide Coupling.","ACS omega","2018","3","7","7224","7234","10.1021/acsomega.8b01047","","x-ray","1.54184","CuKα","","0.0634","0.0481","","","0.132","0.1477","","","","","","1.03","","","","has coordinates","226095","2020-10-21","18:00:00",""
"4516081","8.6523","0.0004","11.7604","0.0007","12.8395","0.0006","75.686","0.004","82.561","0.004","71.602","0.004","1199.33","0.11","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C12 H16 N4 -","- C12 H16 N4 -","- C48 H64 N16 -","4","2","","Yunusova, Sevilya N.; Bolotin, Dmitrii S.; Suslonov, Vitalii V.; Vovk, Mikhail A.; Tolstoy, Peter M.; Kukushkin, Vadim Yu","3-Dialkylamino-1,2,4-triazoles via Zn<sup>II</sup>-Catalyzed Acyl Hydrazide-Dialkylcyanamide Coupling.","ACS omega","2018","3","7","7224","7234","10.1021/acsomega.8b01047","","","0.71073","MoKα","","0.0657","0.0513","","","0.1277","0.1384","","","","","","1.022","","","","has coordinates","226095","2020-10-21","18:00:00",""
"4516082","14.81904","0.00015","14.81904","0.00015","20.4674","0.0004","90","","90","","90","","4494.72","0.11","100","2","100","2","","","","","","","","3","I 41/a :2","-I 4ad","88","","","","- C12 H14 N4 -","- C12 H14 N4 -","- C192 H224 N64 -","16","1","","Yunusova, Sevilya N.; Bolotin, Dmitrii S.; Suslonov, Vitalii V.; Vovk, Mikhail A.; Tolstoy, Peter M.; Kukushkin, Vadim Yu","3-Dialkylamino-1,2,4-triazoles via Zn<sup>II</sup>-Catalyzed Acyl Hydrazide-Dialkylcyanamide Coupling.","ACS omega","2018","3","7","7224","7234","10.1021/acsomega.8b01047","","x-ray","0.71073","MoKα","","0.0437","0.0382","","","0.0926","0.0975","","","","","","1.034","","","","has coordinates","226095","2020-10-21","18:00:00",""
"4516083","9.7088","0.0013","11.3662","0.0015","14.8567","0.0019","90","","97.069","0.002","90","","1627","0.4","150","2","150","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C22 H18 N2 -","- C22 H18 N2 -","- C88 H72 N8 -","4","1","","Salfeena, Chettiyan Thodi F.; Jalaja, Renjitha; Davis, Rincy; Suresh, Eringathodi; Somappa, Sasidhar B.","Synthesis of 1,2,4-Trisubstituted-(1<i>H</i>)-imidazoles through Cu(OTf)<sub>2</sub>-/I<sub>2</sub>-Catalyzed C-C Bond Cleavage of Chalcones and Benzylamines.","ACS omega","2018","3","7","8074","8082","10.1021/acsomega.8b01017","","","0.71073","MoKα","","0.0461","0.0386","","","0.0989","0.1026","","","","","","1.046","","","","has coordinates","226096","2020-10-21","18:00:00",""
"4516084","19.3428","0.0005","6.4501","0.0002","28.2467","0.0007","90","","90","","90","","3524.14","0.17","100","2","100","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C17 H16 O13 -","- C17 H12 O13 -","- C136 H96 O104 -","8","2","","Tokutomi, Hisashi; Takeda, Takashi; Hoshino, Norihisa; Akutagawa, Tomoyuki","Molecular Structure of the Photo-Oxidation Product of Ellagic Acid in Solution.","ACS omega","2018","3","9","11179","11183","10.1021/acsomega.8b01716","","","1.54187","CuKα","","0.1435","0.0898","","","0.2192","0.2584","","","","","","1.033","","","","has coordinates","226097","2020-10-21","18:00:00",""
"4516085","28.322","0.002","28.322","0.002","9.9011","0.001","90","","90","","120","","6878","1","295.15","","295","2","","","","","","","","7","R 3 :H","R 3","146","(pyridine)(acetonitrile)3-Ru(II)-phenyloxazoline","","","- C26.67 H27 F6 N5.33 O P Ru -","- C26.66 H26 F6 N5.33 O P Ru -","- C239.94 H234 F54 N47.97 O9 P9 Ru9 -","9","1","","Nakagawa, Yoko; Imokawa, Yusuke; Fujisawa, Ikuhide; Nakayama, Naofumi; Goto, Hitoshi; Chanthamath, Soda; Shibatomi, Kazutaka; Iwasa, Seiji","Ligand Exchange Reaction on a Ru(II)-Pheox Complex as a Mechanistic Study of Catalytic Reactions.","ACS omega","2018","3","9","11286","11289","10.1021/acsomega.8b01510","","x-ray","0.71069","MoKα","","0.0637","0.0534","","","0.1327","0.1438","","","","","","1.079","","","","has coordinates","226098","2020-10-21","18:00:00",""
"4516086","15.9559","0.0008","20.5495","0.0009","9.8687","0.0004","90","","105.489","0.003","90","","3118.3","0.2","293","2","293","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C38 H26 N2 O6 Zn -","- C38 H26 N2 O6 Zn -","- C152 H104 N8 O24 Zn4 -","4","2","","Dutta, Basudeb; Dey, Arka; Maity, Suvendu; Sinha, Chittaranjan; Ray, Partha Pratim; Mir, Mohammad Hedayetullah","Supramolecular Assembly of a Zn(II)-Based 1D Coordination Polymer through Hydrogen Bonding and π···π Interactions: Crystal Structure and Device Applications.","ACS omega","2018","3","9","12060","12067","10.1021/acsomega.8b01924","","","0.71073","MoKα","","0.115","0.0691","","","0.1574","0.1818","","","","","","1.033","","","","has coordinates","226099","2020-10-21","18:00:00",""
"4516087","6.79795","0.00018","9.9618","0.0003","12.8161","0.0004","90","","98.897","0.007","90","","857.46","0.05","90","","90","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H19 N3 O3 -","- C20 H19 N3 O3 -","- C40 H38 N6 O6 -","2","1","","Chennapuram, Madhu; Owolabi, Isiaka Alade; Seki, Chigusa; Okuyama, Yuko; Kwon, Eunsang; Uwai, Koji; Tokiwa, Michio; Takeshita, Mitsuhiro; Nakano, Hiroto","New Hybrid-type Squaramide-Fused Amino Alcohol Organocatalyst for Enantioselective Domino Michael Addition/Cyclization Reaction of Oxoindolines with Cyclic 1,3-Diketones.","ACS omega","2018","3","9","11718","11726","10.1021/acsomega.8b01271","","","1.54187","CuKα","","0.041","0.0409","","","0.109","0.1092","","","","","","1.036","","","","has coordinates","226100","2020-10-21","18:00:00",""
"4516088","12.6496","0.0017","9.9333","0.0013","19.755","0.003","90","","100.395","0.002","90","","2441.5","0.6","296.15","","296.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H15 N O2 -","- C14 H15 N O2 -","- C112 H120 N8 O16 -","8","2","","Bai, Hairui; Liu, Fujun; Wang, Xiaojing; Wang, Ping; Huang, Chao","Three-Component One-Pot Approach to Highly Efficient and Sustainable Synthesis of the Functionalized Quinolones via Linear/Branched Domino Protocols, Key Synthetic Methods for the Floxacin of Quinolone Drugs.","ACS omega","2018","3","9","11233","11251","10.1021/acsomega.8b01378","","","0.71073","MoKα","","0.1162","0.0539","","","0.114","0.1408","","","","","","1.009","","","","has coordinates","226101","2020-10-21","18:00:00",""
"4516089","20.1803","0.0008","6.2496","0.0003","17.1447","0.0008","90","","100.701","0.002","90","","2124.67","0.17","296","2","296","2","","","","","","","","5","C 1 2 1","C 2y","5","[Ni2(Hhissal)2(adi)(H2O)2].8H2O","","","- C32 H56 N6 Ni2 O20 -","- C32 H56 N6 Ni2 O20 -","- C64 H112 N12 Ni4 O40 -","2","0.5","","Kumar, Navnita; Khullar, Sadhika; Mandal, Sanjay K.","Encapsulation of a Water Octamer Chain in a Chiral 2D Sheetlike Supramolecular Coordination Network Composed of Dinickel-Dicarboxylate Subunits.","ACS omega","2018","3","9","11062","11070","10.1021/acsomega.8b01355","","","0.71073","MoKα","","0.051","0.0431","","","0.1181","0.1306","","","","","","1.029","","","","has coordinates","226102","2020-10-21","18:00:00",""
"4516090","14.2494","0.0006","15.1062","0.0007","17.1323","0.0007","90","","101.223","0.003","90","","3617.3","0.3","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H48 Cl2 O2 S2 Ti -","- C36 H48 Cl2 O2 S2 Ti -","- C144 H192 Cl8 O8 S8 Ti4 -","4","1","","Lapenta, Rosita; Buonerba, Antonio; Luciano, Ermanno; Della Monica, Francesco; De Nisi, Assunta; Monari, Magda; Grassi, Alfonso; Capacchione, Carmine; Milione, Stefano","Phenylene-Bridged OSSO-Type Titanium Complexes in the Polymerization of Ethylene and Propylene.","ACS omega","2018","3","9","11608","11616","10.1021/acsomega.8b01550","","","0.71073","MoKα","","0.1723","0.0581","","","0.083","0.1099","","","","","","1.109","","","","has coordinates","226103","2020-10-21","18:00:00",""
"4516091","19.755","0.005","13.633","0.004","24.145","0.007","90","","103.603","0.003","90","","6320","3","120","2","120","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C64 H40 Cl2 O12 P2 Re2 S4 -","- C64 H40 Cl2 O12 P2 Re2 S4 -","- C256 H160 Cl8 O48 P8 Re8 S16 -","4","1","","Procopio, Elsa Quartapelle; Dova, Davide; Cauteruccio, Silvia; Forni, Alessandra; Licandro, Emanuela; Panigati, Monica","Dirhenium Coordination Complex Endowed with an Intrinsically Chiral Helical-Shaped Diphosphine Oxide.","ACS omega","2018","3","9","11649","11654","10.1021/acsomega.8b01290","","","0.71073","MoKα","","0.0939","0.0564","","","0.1284","0.156","","","","","","1.155","","","","has coordinates","226104","2020-10-21","18:00:00",""
"4516092","25.524","0.005","13.835","0.003","9.914","0.002","90","","90","","90","","3500.9","1.2","100","","100","","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C21 H23 N3 O -","- C21 H23 N3 O -","- C168 H184 N24 O8 -","8","1","","Fanna, Daniel J.; Lima, Luís M P; Craze, Alexander R.; Trinchi, Adrian; Wuhrer, Richard; Lindoy, Leonard F.; Wei, Gang; Reynolds, Jason K.; Li, Feng","Ultrasensitive Colorimetric and Ratiometric Detection of Cu<sup>2+</sup>: Acid-Base Properties, Complexation, and Binding Studies.","ACS omega","2018","3","9","10471","10480","10.1021/acsomega.8b01483","","","0.71073","MoKα","","0.0644","0.053","","","0.1353","0.144","","","","","","1.035","","","","has coordinates","226105","2020-10-21","18:00:00",""
"4516093","6.898","0.0004","8.2874","0.0005","9.6802","0.0006","79.149","0.003","69.618","0.003","83.152","0.003","508.6","0.05","150","2","150","","","","","","","","","4","P -1","-P 1","2","","","","- C22 H30 N4 O2 -","- C22 H30 N4 O2 -","- C22 H30 N4 O2 -","1","0.5","","Ghosh, Milan; Ta, Sabyasachi; Banerjee, Mahuya; Das, Debasis","Metal-Ion Displacement Approach for Optical Recognition of Thorium: Application of a Molybdenum(VI) Complex for Nanomolar Determination and Enrichment of Th(IV).","ACS omega","2018","3","11","16089","16098","10.1021/acsomega.8b01901","","","0.71073","MoKα","","0.0418","0.0364","","","0.1023","0.1062","","","","","","1.07","","","","has coordinates","226106","2020-10-21","18:00:00",""
"4516094","12.6435","0.0009","12.8892","0.0009","13.5633","0.0009","65.757","0.003","76.834","0.003","81.409","0.004","1958.5","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C35 H51 Mo2 N6 O10 -","- C35 H51 Mo2 N6 O10 -","- C70 H102 Mo4 N12 O20 -","2","1","","Ghosh, Milan; Ta, Sabyasachi; Banerjee, Mahuya; Das, Debasis","Metal-Ion Displacement Approach for Optical Recognition of Thorium: Application of a Molybdenum(VI) Complex for Nanomolar Determination and Enrichment of Th(IV).","ACS omega","2018","3","11","16089","16098","10.1021/acsomega.8b01901","","","0.71073","MoKα","","0.0646","0.0456","","","0.1398","0.1619","","","","","","1.094","","","","has coordinates","226107","2020-10-21","18:00:00",""
"4516095","14.6664","0.0012","10.081","0.0006","40.221","0.002","90","","97.759","0.007","90","","5892.3","0.7","293","2","293","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C34 H29 I N O4 -","- C35 H30 I N O3 -","- C280 H240 I8 N8 O24 -","8","1","","Yaragorla, Srinivasarao; Bag, Debojyoti; Dada, Ravikrishna; Jose, K. V. Jovan","Iodo-Cycloisomerization of Aryl(indol-3-yl)methane-Tethered Propargyl Alcohols to 3-Iodocarbazoles via Selective 1,2-Alkyl Migration.","ACS omega","2018","3","11","15024","15034","10.1021/acsomega.8b02393","","","1.54184","CuKα","","0.0664","0.049","","","0.1282","0.1439","","","","","","1.026","","","","has coordinates","226108","2020-10-21","18:00:00",""
"4516096","15.8788","0.0008","9.357","0.0004","21.2905","0.0009","90","","92.12","0.004","90","","3161.1","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H27 I N2 O -","- C36 H27 I N2 O -","- C144 H108 I4 N8 O4 -","4","1","","Yaragorla, Srinivasarao; Bag, Debojyoti; Dada, Ravikrishna; Jose, K. V. Jovan","Iodo-Cycloisomerization of Aryl(indol-3-yl)methane-Tethered Propargyl Alcohols to 3-Iodocarbazoles via Selective 1,2-Alkyl Migration.","ACS omega","2018","3","11","15024","15034","10.1021/acsomega.8b02393","","","1.54184","CuKα","","0.1362","0.0746","","","0.1787","0.2304","","","","","","0.995","","","","has coordinates","226109","2020-10-21","18:00:00",""
"4516097","11.5071","0.0018","38.741","0.005","9.4077","0.0014","90","","113.662","0.006","90","","3841.3","1","299","2","299","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C48 H37 I N2 O2 -","- C48 H37 I N2 O2 -","- C192 H148 I4 N8 O8 -","4","1","","Yaragorla, Srinivasarao; Bag, Debojyoti; Dada, Ravikrishna; Jose, K. V. Jovan","Iodo-Cycloisomerization of Aryl(indol-3-yl)methane-Tethered Propargyl Alcohols to 3-Iodocarbazoles via Selective 1,2-Alkyl Migration.","ACS omega","2018","3","11","15024","15034","10.1021/acsomega.8b02393","","","0.71073","MoKα","","0.0556","0.0409","","","0.0914","0.0976","","","","","","0.992","","","","has coordinates","226110","2020-10-21","18:00:00",""
"4516098","10.653","0.0005","19.224","0.0008","17.802","0.0008","90","","93.951","0.002","90","","3637.1","0.3","173","2","173","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C67 H82 B2 Cl4 F8 N4 O4 Ru2 -","- C67 H82 B2 Cl4 F8 N4 O4 Ru2 -","- C134 H164 B4 Cl8 F16 N8 O8 Ru4 -","2","0.5","","César, Vincent; Mallardo, Valentina; Nano, Adela; DePeter, Sadie F.; Bastin, Stéphanie; Sournia-Saquet, Alix; Maisse-François, Aline; Lugan, Noël; Bellemin-Laponnaz, Stéphane","Homo- and Heteropolymetallic Complexes of the Hybrid, Ambidentate N-Heterocyclic Carbene Ligand IMes-acac.","ACS omega","2018","3","11","15582","15591","10.1021/acsomega.8b02268","","x-ray","0.71073","MoKα","","0.0494","0.0454","","","0.1279","0.1322","","","","","","1.161","","","","has coordinates,has disorder","226111","2020-10-21","18:00:00",""
"4516099","8.029","0.005","8.869","0.005","12.091","0.007","68.492","0.009","84.217","0.009","74.128","0.01","770.5","0.8","296","2","296.15","","","","","","","","","4","P -1","-P 1","2","","","","- Cs2 Hg2 Sb2 Se6 -","- Cs2 Hg2 Sb2 Se6 -","- Cs4 Hg4 Sb4 Se12 -","2","1","","Du, Cui-Xia; Qi, Fei-Yan; Chen, Juan; Baiyin, Menghe","Two Mercury Antimony Chalcogenides Cs<sub>2</sub>HgSb<sub>4</sub>S<sub>8</sub> and Cs<sub>2</sub>Hg<sub>2</sub>Sb<sub>2</sub>Se<sub>6</sub> with Cesium Cations as Counterions.","ACS omega","2018","3","11","15168","15173","10.1021/acsomega.8b02059","","","0.71073","MoKα","","0.1921","0.1082","","","0.3217","0.3627","","","","","","0.999","","","","has coordinates","226112","2020-10-21","18:00:00",""
"4516100","7.3196","0.0019","10.6224","0.0006","11.7739","0.0014","99.51","0.02","92.06","0.02","92.1","0.02","901.4","0.3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- Cs2 Hg S8 Sb4 -","- Cs2 Hg S8 Sb4 -","- Cs4 Hg2 S16 Sb8 -","2","1","","Du, Cui-Xia; Qi, Fei-Yan; Chen, Juan; Baiyin, Menghe","Two Mercury Antimony Chalcogenides Cs<sub>2</sub>HgSb<sub>4</sub>S<sub>8</sub> and Cs<sub>2</sub>Hg<sub>2</sub>Sb<sub>2</sub>Se<sub>6</sub> with Cesium Cations as Counterions.","ACS omega","2018","3","11","15168","15173","10.1021/acsomega.8b02059","","","0.71073","MoKα","","0.0857","0.0622","","","0.1435","0.1533","","","","","","1.144","","","","has coordinates","226114","2020-10-21","18:00:00",""
"4516101","7.3196","0.0019","10.6224","0.0006","11.7739","0.0014","99.51","0.02","92.06","0.02","92.1","0.02","901.4","0.3","296","2","296.15","","","","","","","","","8","P -1","-P 1","2","","","","- C0 H0 Cs2 Hg N0 O0 S8 Sb4 -","- Cs2 Hg S8 Sb4 -","- Cs4 Hg2 S16 Sb8 -","2","1","","Du, Cui-Xia; Qi, Fei-Yan; Chen, Juan; Baiyin, Menghe","Two Mercury Antimony Chalcogenides Cs<sub>2</sub>HgSb<sub>4</sub>S<sub>8</sub> and Cs<sub>2</sub>Hg<sub>2</sub>Sb<sub>2</sub>Se<sub>6</sub> with Cesium Cations as Counterions.","ACS omega","2018","3","11","15168","15173","10.1021/acsomega.8b02059","","","0.71073","MoKα","","0.086","0.0626","","","0.1594","0.1731","","","","","","1.046","","","","has coordinates","226115","2020-10-21","18:00:00",""
"4516102","8.029","0.005","8.869","0.005","12.091","0.007","68.492","0.009","84.217","0.009","74.128","0.01","770.5","0.8","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- Cs2 Hg2 Sb2 Se6 -","- Cs2 Hg2 Sb2 Se6 -","- Cs4 Hg4 Sb4 Se12 -","2","1","","Du, Cui-Xia; Qi, Fei-Yan; Chen, Juan; Baiyin, Menghe","Two Mercury Antimony Chalcogenides Cs<sub>2</sub>HgSb<sub>4</sub>S<sub>8</sub> and Cs<sub>2</sub>Hg<sub>2</sub>Sb<sub>2</sub>Se<sub>6</sub> with Cesium Cations as Counterions.","ACS omega","2018","3","11","15168","15173","10.1021/acsomega.8b02059","","","0.71073","MoKα","","0.1928","0.1042","","","0.214","0.2323","","","","","","1.233","","","","has coordinates","226116","2020-10-21","18:00:00",""
"4516103","11.9267","0.0015","15.095","0.002","17.872","0.002","108.373","0.002","105.652","0.002","101.258","0.002","2798.6","0.6","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C46 H46 Cl6 S8 Si4 -","- C46 H46 Cl6 S8 Si4 -","- C92 H92 Cl12 S16 Si8 -","2","1","","Li, Bingbing; Zhang, Sheng; Li, Lu; Ma, Zhiying; Li, Chunli; Xu, Li; Wang, Hua","All-Thiophene-Based Double Helix: Synthesis, Crystal Structure, Chiroptical Property and Arylation.","ACS omega","2018","3","11","16014","16020","10.1021/acsomega.8b02492","","","0.71073","MoKα","","0.0855","0.0658","","","0.1598","0.1708","","","","","","1.079","","","","has coordinates","226117","2020-10-21","18:00:00",""
"4516104","8.804","0.0004","14.0866","0.0007","11.5559","0.0006","90","","111.296","0.001","90","","1335.28","0.11","100","2","100","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C15 H18 Cu3 I6 N3 -","- C15 H18 Cu3 I6 N3 -","- C30 H36 Cu6 I12 N6 -","2","0.5","","Wheaton, Amelia M.; Streep, Michaela E.; Ohlhaver, Christopher M.; Nicholas, Aaron D.; Barnes, Francis H.; Patterson, Howard H.; Pike, Robert D.","Alkyl Pyridinium Iodocuprate(I) Clusters: Structural Types and Charge Transfer Behavior.","ACS omega","2018","3","11","15281","15292","10.1021/acsomega.8b01986","","","0.71073","MoKα","","0.029","0.0225","","","0.0454","0.0478","","","","","","1.042","","","","has coordinates","226118","2020-10-21","18:00:00",""
"4516105","13.9901","0.001","10.819","0.0008","24.0532","0.0017","90","","99.243","0.001","90","","3593.4","0.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H27 Cu6 I8 N3 -","- C18 H27 Cu6 I8 N3 -","- C72 H108 Cu24 I32 N12 -","4","1","","Wheaton, Amelia M.; Streep, Michaela E.; Ohlhaver, Christopher M.; Nicholas, Aaron D.; Barnes, Francis H.; Patterson, Howard H.; Pike, Robert D.","Alkyl Pyridinium Iodocuprate(I) Clusters: Structural Types and Charge Transfer Behavior.","ACS omega","2018","3","11","15281","15292","10.1021/acsomega.8b01986","","","0.71073","MoKα","","0.0436","0.0356","","","0.0853","0.0886","","","","","","1.151","","","","has coordinates,has disorder","226118","2020-10-21","18:00:00",""
"4516106","10.455","0.0003","26.2454","0.0008","23.854","0.0007","90","","97.093","0.002","90","","6495.3","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H56 Cu10 I14 N4 -","- C36 H56 Cu10 I14 N4 -","- C144 H224 Cu40 I56 N16 -","4","1","","Wheaton, Amelia M.; Streep, Michaela E.; Ohlhaver, Christopher M.; Nicholas, Aaron D.; Barnes, Francis H.; Patterson, Howard H.; Pike, Robert D.","Alkyl Pyridinium Iodocuprate(I) Clusters: Structural Types and Charge Transfer Behavior.","ACS omega","2018","3","11","15281","15292","10.1021/acsomega.8b01986","","","1.54178","CuKα","","0.0372","0.0336","","","0.0892","0.0913","","","","","","1.007","","","","has coordinates","226118","2020-10-21","18:00:00",""
"4516107","33.6214","0.0015","10.7706","0.0005","25.1921","0.0012","90","","124.618","0.001","90","","7507.5","0.6","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C46 H75 Cu10 I14 N5 -","- C46 H75 Cu10 I14 N5 -","- C184 H300 Cu40 I56 N20 -","4","0.5","","Wheaton, Amelia M.; Streep, Michaela E.; Ohlhaver, Christopher M.; Nicholas, Aaron D.; Barnes, Francis H.; Patterson, Howard H.; Pike, Robert D.","Alkyl Pyridinium Iodocuprate(I) Clusters: Structural Types and Charge Transfer Behavior.","ACS omega","2018","3","11","15281","15292","10.1021/acsomega.8b01986","","","0.71073","MoKα","","0.0436","0.0342","","","0.0876","0.0937","","","","","","1.038","","","","has coordinates,has disorder","226118","2020-10-21","18:00:00",""
"4516108","14.4604","0.001","10.8225","0.0007","25.1937","0.0017","90","","106.194","0.001","90","","3786.3","0.4","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H29 Cl2 Cu5 I7 N3 -","- C20 H29 Cl2 Cu5 I7 N3 -","- C80 H116 Cl8 Cu20 I28 N12 -","4","1","","Wheaton, Amelia M.; Streep, Michaela E.; Ohlhaver, Christopher M.; Nicholas, Aaron D.; Barnes, Francis H.; Patterson, Howard H.; Pike, Robert D.","Alkyl Pyridinium Iodocuprate(I) Clusters: Structural Types and Charge Transfer Behavior.","ACS omega","2018","3","11","15281","15292","10.1021/acsomega.8b01986","","","0.71073","MoKα","","0.0322","0.0284","","","0.0668","0.0684","","","","","","1.034","","","","has coordinates","226118","2020-10-21","18:00:00",""
"4516109","28.346","0.003","11.4404","0.0012","24.058","0.002","90","","106.029","0.002","90","","7498.4","1.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H29 Br2 Cu5 I7 N3 -","- C20 H29 Br2 Cu5 I7 N3 -","- C160 H232 Br16 Cu40 I56 N24 -","8","2","","Wheaton, Amelia M.; Streep, Michaela E.; Ohlhaver, Christopher M.; Nicholas, Aaron D.; Barnes, Francis H.; Patterson, Howard H.; Pike, Robert D.","Alkyl Pyridinium Iodocuprate(I) Clusters: Structural Types and Charge Transfer Behavior.","ACS omega","2018","3","11","15281","15292","10.1021/acsomega.8b01986","","","0.71073","MoKα","","0.0292","0.0248","","","0.0506","0.0517","","","","","","1.198","","","","has coordinates,has disorder","226118","2020-10-21","18:00:00",""
"4516110","9.1888","0.0004","11.3217","0.0005","16.2778","0.0007","73.591","0.001","77.461","0.001","87.998","0.001","1585.08","0.12","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H26 Cu3 I7 N2 -","- C18 H26 Cu3 I7 N2 -","- C36 H52 Cu6 I14 N4 -","2","1","","Wheaton, Amelia M.; Streep, Michaela E.; Ohlhaver, Christopher M.; Nicholas, Aaron D.; Barnes, Francis H.; Patterson, Howard H.; Pike, Robert D.","Alkyl Pyridinium Iodocuprate(I) Clusters: Structural Types and Charge Transfer Behavior.","ACS omega","2018","3","11","15281","15292","10.1021/acsomega.8b01986","","","0.71073","MoKα","","0.0159","0.0148","","","0.0366","0.0371","","","","","","1.082","","","","has coordinates,has disorder","226118","2020-10-21","18:00:00",""
"4516111","14.1523","0.0014","10.6793","0.0011","25.264","0.003","90","","104.984","0.002","90","","3688.5","0.7","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H29 Cu5 I7 N5 -","- C22 H29 Cu5 I7 N5 -","- C88 H116 Cu20 I28 N20 -","4","1","","Wheaton, Amelia M.; Streep, Michaela E.; Ohlhaver, Christopher M.; Nicholas, Aaron D.; Barnes, Francis H.; Patterson, Howard H.; Pike, Robert D.","Alkyl Pyridinium Iodocuprate(I) Clusters: Structural Types and Charge Transfer Behavior.","ACS omega","2018","3","11","15281","15292","10.1021/acsomega.8b01986","","","0.71073","MoKα","","0.0256","0.0242","","","0.0522","0.0526","","","","","","1.264","","","","has coordinates","226118","2020-10-21","18:00:00",""
"4516112","36.7069","0.0009","10.6697","0.0003","24.9824","0.0006","90","","129.192","0.001","90","","7583.2","0.4","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C21 H33.5 Cu5 I7 N2.5 O2 -","- C21 H33.5 Cu5 I7 N2.5 O2 -","- C168 H268 Cu40 I56 N20 O16 -","8","1","","Wheaton, Amelia M.; Streep, Michaela E.; Ohlhaver, Christopher M.; Nicholas, Aaron D.; Barnes, Francis H.; Patterson, Howard H.; Pike, Robert D.","Alkyl Pyridinium Iodocuprate(I) Clusters: Structural Types and Charge Transfer Behavior.","ACS omega","2018","3","11","15281","15292","10.1021/acsomega.8b01986","","","1.54178","CuKα","","0.04","0.0356","","","0.0878","0.0907","","","","","","1.023","","","","has coordinates,has disorder","226118","2020-10-21","18:00:00",""
"4516113","9.14864","0.00016","11.5032","0.0002","15.6073","0.0003","72.6495","0.0016","81.6726","0.0015","72.6336","0.0016","1493.48","0.05","200","0.14","200","0.14","","","","","","","","6","P -1","-P 1","2","","","","- C34 H28 Br2 Cl N3 Pd -","- C34 H28 Br2 Cl N3 Pd -","- C68 H56 Br4 Cl2 N6 Pd2 -","2","1","","Mollar-Cuni, Andrés; Ventura-Espinosa, David; Martín, Santiago; Mayoral, Álvaro; Borja, Pilar; Mata, Jose A.","Stabilization of Nanoparticles Produced by Hydrogenation of Palladium-N-Heterocyclic Carbene Complexes on the Surface of Graphene and Implications in Catalysis.","ACS omega","2018","3","11","15217","15228","10.1021/acsomega.8b02193","","x-ray","0.71073","MoKα","","0.0335","0.0268","","","0.0654","0.07","","","","","","1.051","","","","has coordinates","226119","2020-10-21","18:00:00",""
"4516114","12.8106","0.0004","12.8106","0.0004","30.5131","0.001","90","","90","","90","","5007.5","0.3","100","2","100","2","","","","","","","","7","I 41/a :2","-I 4ad","88","","","","- C48 H40 Co F12 N8 O8 P2 -","- C48 H40 Co F12 N8 O8 P2 -","- C192 H160 Co4 F48 N32 O32 P8 -","4","0.25","","Emhoff, Kylin A.; Balaraman, Lakshmi; Simpson, Sydney R.; Stromyer, Michael L.; Kalil, Haitham F.; Beemiller, James R.; Sikatzki, Philipp; Eshelman, Teya S.; Salem, Ahmed M. H.; DeBord, Michael A.; Panzner, Matthew J.; Youngs, Wiley J.; Boyd, W. Christopher","Synthesis and Characterization of Cobalt(II) <i>N</i>,<i>N</i>'-Diphenylazodioxide Complexes.","ACS omega","2018","3","11","16021","16027","10.1021/acsomega.8b01200","","","0.71073","MoKα","","0.037","0.0295","","","0.0647","0.0688","","","","","","1.053","","","","has coordinates","226120","2020-10-21","18:00:00",""
"4516115","28.0797","0.0009","13.4393","0.0004","25.3112","0.0008","90","","103.746","0.002","90","","9278.2","0.5","100","2","100","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C35 H30 Cl2 Co F12 N6 O4 P2 -","- C35 H30 Cl2 Co F12 N6 O4 P2 -","- C280 H240 Cl16 Co8 F96 N48 O32 P16 -","8","1","","Emhoff, Kylin A.; Balaraman, Lakshmi; Simpson, Sydney R.; Stromyer, Michael L.; Kalil, Haitham F.; Beemiller, James R.; Sikatzki, Philipp; Eshelman, Teya S.; Salem, Ahmed M. H.; DeBord, Michael A.; Panzner, Matthew J.; Youngs, Wiley J.; Boyd, W. Christopher","Synthesis and Characterization of Cobalt(II) <i>N</i>,<i>N</i>'-Diphenylazodioxide Complexes.","ACS omega","2018","3","11","16021","16027","10.1021/acsomega.8b01200","","","0.71073","MoKα","","0.1171","0.0775","","","0.2463","0.2832","","","","","","1.006","","","","has coordinates","226121","2020-10-21","18:00:00",""
"4516116","7.5725","0.0006","11.9171","0.0008","24.932","0.002","90","","90","","90","","2249.9","0.3","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C22 H18 Mn N4 O10 -","- C22 H14 Mn N4 O10 -","- C88 H56 Mn4 N16 O40 -","4","0.5","","Roy, Manasi; Adhikary, Amit; Mondal, Amit Kumar; Mondal, Raju","Multifunctional Properties of a 1D Helical Co(II) Coordination Polymer: Toward Single-Ion Magnetic Behavior and Efficient Dye Degradation.","ACS omega","2018","3","11","15315","15324","10.1021/acsomega.8b02212","","","0.71073","MoKα","","0.0604","0.0593","","","0.217","0.22","","","","","","1.056","","","","has coordinates","226122","2020-10-21","18:00:00",""
"4516117","7.4271","0.0015","11.953","0.003","24.759","0.004","90","","90","","90","","2198","0.8","106","2","106","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C22 H18 Co N4 O10 -","- C22 H14 Co N4 O10 -","- C88 H56 Co4 N16 O40 -","4","0.5","","Roy, Manasi; Adhikary, Amit; Mondal, Amit Kumar; Mondal, Raju","Multifunctional Properties of a 1D Helical Co(II) Coordination Polymer: Toward Single-Ion Magnetic Behavior and Efficient Dye Degradation.","ACS omega","2018","3","11","15315","15324","10.1021/acsomega.8b02212","","","0.71073","MoKα","","0.1639","0.0663","","","0.1668","0.252","","","","","","1.061","","","","has coordinates","226123","2020-10-21","18:00:00",""
"4516118","10.0616","0.0005","10.8559","0.0006","26.2066","0.0015","90","","97.322","0.002","90","","2839.1","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C55 H47 Co2 N10 O10 -","- C55 H47 Co2 N10 O10 -","- C110 H94 Co4 N20 O20 -","2","0.5","","Roy, Manasi; Adhikary, Amit; Mondal, Amit Kumar; Mondal, Raju","Multifunctional Properties of a 1D Helical Co(II) Coordination Polymer: Toward Single-Ion Magnetic Behavior and Efficient Dye Degradation.","ACS omega","2018","3","11","15315","15324","10.1021/acsomega.8b02212","","","0.71073","MoKα","","0.1245","0.0699","","","0.1859","0.2333","","","","","","1.101","","","","has coordinates","226124","2020-10-21","18:00:00",""
"4516119","8.9867","0.0015","9.0117","0.0015","14.865","0.003","99.135","0.003","106.863","0.004","90.159","0.003","1136","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H27 N O -","- C30 H27 N O -","- C60 H54 N2 O2 -","2","1","","Chen, Jianfeng; Tian, Jiaxin; Liu, Feng; Liu, Yong; Zhao, Guoqing; Yuan, Weicheng; Zhao, Baoguo","Intramolecular Umpolung Synthesis of Exocyclic β-Amino Alcohols through Decarboxylative Amination.","ACS omega","2018","3","11","14671","14679","10.1021/acsomega.8b02324","","","0.71073","MoKα","","0.067","0.0475","","","0.1221","0.1346","","","","","","1.04","","","","has coordinates","226125","2020-10-21","18:00:00",""
"4516120","4.6994","0.0003","11.1712","0.0006","25.7495","0.0017","90","","90","","90","","1351.8","0.14","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H14 Cl N O2 -","- C16 H14 Cl N O2 -","- C64 H56 Cl4 N4 O8 -","4","1","","Chen, Jianfeng; Tian, Jiaxin; Liu, Feng; Liu, Yong; Zhao, Guoqing; Yuan, Weicheng; Zhao, Baoguo","Intramolecular Umpolung Synthesis of Exocyclic β-Amino Alcohols through Decarboxylative Amination.","ACS omega","2018","3","11","14671","14679","10.1021/acsomega.8b02324","","","0.71073","MoKα","","0.0436","0.0381","","","0.0921","0.0965","","","","","","1.066","","","","has coordinates","226126","2020-10-21","18:00:00",""
"4516121","14.1735","0.0005","14.6182","0.0005","17.4983","0.0005","110.609","0.001","92.046","0.002","100.845","0.002","3312.32","0.19","100","2","100","2","","","","","","","","10","P 1","P 1","1","A-rxn1 - 2016AN001ANP01","","","- C55 H54 B Br Cl9 F4 N5 O9 P2 Pd -","- C55 H54 B Br Cl9 F4 N5 O9 P2 Pd -","- C110 H108 B2 Br2 Cl18 F8 N10 O18 P4 Pd2 -","2","2","","Leitão, Maria Inês P S; Herrera, Federico; Petronilho, Ana","N-Heterocyclic Carbenes Derived from Guanosine: Synthesis and Evidences of Their Antiproliferative Activity.","ACS omega","2018","3","11","15653","15656","10.1021/acsomega.8b02387","","","0.71073","MoKα","","0.0759","0.0485","","","0.1092","0.1211","","","","","","1.029","","","","has coordinates,has disorder","226127","2020-10-21","18:00:00",""
"4516122","16.9414","0.0006","17.1524","0.0006","17.6605","0.0005","90","","109.597","0.002","90","","4834.6","0.3","296","2","296","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C15 H12 N2 -","- C15 H12 N2 -","- C240 H192 N32 -","16","2","","Mohamady, Samy; Kralt, Braden; Samwel, Shery K.; Taylor, Scott D.","Efficient One-Pot, Two-Component Modular Synthesis of 3,5-Disubstituted Pyrazoles.","ACS omega","2018","3","11","15566","15574","10.1021/acsomega.8b02304","","","0.71073","MoKα","","0.1472","0.0524","","","0.0773","0.091","","","","","","1.011","","","","has coordinates","226128","2020-10-21","18:00:00",""
"4516123","15.6529","0.0009","9.5364","0.0006","23.3615","0.0014","90","","90","","90","","3487.2","0.4","273","2","273","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C22 H18 N2 O3 -","- C22 H18 N2 O3 -","- C176 H144 N16 O24 -","8","1","","Cai, Panyuan; Zhang, Enshen; Wu, Yinsong; Fang, Taibei; Li, Qianqian; Yang, Chen; Wang, Jian; Shang, Yongjia","Ru(II)/Ir(III)-Catalyzed C-H Bond Activation/Annulation of Cyclic Amides with 1,3-Diketone-2-diazo Compounds: Facile Access to 8<i>H</i>-Isoquinolino[1,2-<i>b</i>]quinazolin-8-ones and Phthalazino[2,3-<i>a</i>]cinnoline-8,13-diones.","ACS omega","2018","3","11","14575","14584","10.1021/acsomega.8b01930","","","0.71073","MoKα","","0.1055","0.0798","","","0.2569","0.2848","","","","","","1.092","","","","has coordinates","226129","2020-10-21","18:00:00",""
"4516124","16.3607","0.0005","8.454","0.0003","22.5078","0.0007","90","","90","","90","","3113.13","0.18","273","2","273","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C21 H16 N2 O2 -","- C21 H16 N2 O2 -","- C168 H128 N16 O16 -","8","1","","Cai, Panyuan; Zhang, Enshen; Wu, Yinsong; Fang, Taibei; Li, Qianqian; Yang, Chen; Wang, Jian; Shang, Yongjia","Ru(II)/Ir(III)-Catalyzed C-H Bond Activation/Annulation of Cyclic Amides with 1,3-Diketone-2-diazo Compounds: Facile Access to 8<i>H</i>-Isoquinolino[1,2-<i>b</i>]quinazolin-8-ones and Phthalazino[2,3-<i>a</i>]cinnoline-8,13-diones.","ACS omega","2018","3","11","14575","14584","10.1021/acsomega.8b01930","","","0.71073","MoKα","","0.1413","0.0628","","","0.1456","0.192","","","","","","1.021","","","","has coordinates","226130","2020-10-21","18:00:00",""
"4516125","13.9836","0.0003","20.8953","0.0004","11.0131","0.0002","90","","103.717","0.002","90","","3126.16","0.11","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C39 H21 Fe N8 O2 Sn -","- C39 H21 Fe N8 O2 Sn -","- C156 H84 Fe4 N32 O8 Sn4 -","4","1","","Konarev, Dmitri V.; Kuzmin, Alexey V.; Batov, Mikhail S.; Khasanov, Salavat S.; Otsuka, Akihiro; Yamochi, Hideki; Kitagawa, Hiroshi; Lyubovskaya, Rimma N.","{CpFe<sup>II</sup>(CO)<sub>2</sub>Sn<sup>II</sup>(Macrocycle<sup>•3-</sup>)} Radicals with Intrinsic Charge Transfer from CpFe(CO)<sub>2</sub> to Macrocycles (Cp: Cp or Cp*); Effective Magnetic Coupling between Radical Trianionic Macrocycles<sup>•3</sup>.","ACS omega","2018","3","11","14875","14888","10.1021/acsomega.8b02221","","x-ray","0.71073","MoKα","","0.0282","0.0232","","","0.0602","0.0632","","","","","","1.051","","","","has coordinates","226131","2020-10-21","18:00:00",""
"4516126","11.7126","0.0003","11.7544","0.0003","12.9014","0.0003","108.604","0.002","101.649","0.002","105.849","0.002","1535.85","0.08","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C39 H21 Fe N8 O2 Sn -","- C39 H21 Fe N8 O2 Sn -","- C78 H42 Fe2 N16 O4 Sn2 -","2","1","","Konarev, Dmitri V.; Kuzmin, Alexey V.; Batov, Mikhail S.; Khasanov, Salavat S.; Otsuka, Akihiro; Yamochi, Hideki; Kitagawa, Hiroshi; Lyubovskaya, Rimma N.","{CpFe<sup>II</sup>(CO)<sub>2</sub>Sn<sup>II</sup>(Macrocycle<sup>•3-</sup>)} Radicals with Intrinsic Charge Transfer from CpFe(CO)<sub>2</sub> to Macrocycles (Cp: Cp or Cp*); Effective Magnetic Coupling between Radical Trianionic Macrocycles<sup>•3</sup>.","ACS omega","2018","3","11","14875","14888","10.1021/acsomega.8b02221","","x-ray","0.71073","MoKα","","0.0227","0.0209","","","0.0534","0.0545","","","","","","1.082","","","","has coordinates","226131","2020-10-21","18:00:00",""
"4516127","10.3737","0.0003","11.6856","0.0003","16.95","0.0004","90.491","0.002","91.962","0.002","98.758","0.002","2029.38","0.09","100","","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C47 H33 Cl Fe N8 O2 Sn -","- C47 H33 Cl Fe N8 O2 Sn -","- C94 H66 Cl2 Fe2 N16 O4 Sn2 -","2","1","","Konarev, Dmitri V.; Kuzmin, Alexey V.; Batov, Mikhail S.; Khasanov, Salavat S.; Otsuka, Akihiro; Yamochi, Hideki; Kitagawa, Hiroshi; Lyubovskaya, Rimma N.","{CpFe<sup>II</sup>(CO)<sub>2</sub>Sn<sup>II</sup>(Macrocycle<sup>•3-</sup>)} Radicals with Intrinsic Charge Transfer from CpFe(CO)<sub>2</sub> to Macrocycles (Cp: Cp or Cp*); Effective Magnetic Coupling between Radical Trianionic Macrocycles<sup>•3</sup>.","ACS omega","2018","3","11","14875","14888","10.1021/acsomega.8b02221","","x-ray","0.71073","MoKα","","0.0357","0.0285","","","0.0631","0.0661","","","","","","1.034","","","","has coordinates,has disorder","226131","2020-10-21","18:00:00",""
"4516128","11.6681","0.0006","16.5135","0.0008","16.9193","0.001","66.775","0.005","86.024","0.005","79.263","0.004","2943.4","0.3","100","","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C72 H47 Cl4 Fe N8 O2 Sn -","- C72 H47 Cl4 Fe N8 O2 Sn -","- C144 H94 Cl8 Fe2 N16 O4 Sn2 -","2","1","","Konarev, Dmitri V.; Kuzmin, Alexey V.; Batov, Mikhail S.; Khasanov, Salavat S.; Otsuka, Akihiro; Yamochi, Hideki; Kitagawa, Hiroshi; Lyubovskaya, Rimma N.","{CpFe<sup>II</sup>(CO)<sub>2</sub>Sn<sup>II</sup>(Macrocycle<sup>•3-</sup>)} Radicals with Intrinsic Charge Transfer from CpFe(CO)<sub>2</sub> to Macrocycles (Cp: Cp or Cp*); Effective Magnetic Coupling between Radical Trianionic Macrocycles<sup>•3</sup>.","ACS omega","2018","3","11","14875","14888","10.1021/acsomega.8b02221","","x-ray","0.71073","MoKα","","0.1555","0.0915","","","0.1994","0.2393","","","","","","1.027","","","","has coordinates,has disorder","226131","2020-10-21","18:00:00",""
"4516129","11.2634","0.0004","11.312","0.0004","14.9929","0.0005","90.824","0.003","91.078","0.003","97.186","0.003","1894.66","0.11","111","2","111","2","","","","","","","","6","P -1","-P 1","2","","","","- C51 H33 Fe N4 O2 Sn -","- C51 H33 Fe N4 O2 Sn -","- C102 H66 Fe2 N8 O4 Sn2 -","2","1","","Konarev, Dmitri V.; Kuzmin, Alexey V.; Batov, Mikhail S.; Khasanov, Salavat S.; Otsuka, Akihiro; Yamochi, Hideki; Kitagawa, Hiroshi; Lyubovskaya, Rimma N.","{CpFe<sup>II</sup>(CO)<sub>2</sub>Sn<sup>II</sup>(Macrocycle<sup>•3-</sup>)} Radicals with Intrinsic Charge Transfer from CpFe(CO)<sub>2</sub> to Macrocycles (Cp: Cp or Cp*); Effective Magnetic Coupling between Radical Trianionic Macrocycles<sup>•3</sup>.","ACS omega","2018","3","11","14875","14888","10.1021/acsomega.8b02221","","x-ray","0.71073","MoKα","","0.0326","0.0312","","","0.0779","0.0791","","","","","","1.062","","","","has coordinates,has disorder","226131","2020-10-21","18:00:00",""
"4516130","13.977","0.0002","21.1365","0.0002","11.0927","0.0001","90","","105.033","0.001","90","","3164.91","0.06","150","2","150","0.14","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C39 H21 Fe In N8 O2 -","- C39 H21 Fe In N8 O2 -","- C156 H84 Fe4 In4 N32 O8 -","4","1","","Konarev, Dmitri V.; Kuzmin, Alexey V.; Batov, Mikhail S.; Khasanov, Salavat S.; Otsuka, Akihiro; Yamochi, Hideki; Kitagawa, Hiroshi; Lyubovskaya, Rimma N.","{CpFe<sup>II</sup>(CO)<sub>2</sub>Sn<sup>II</sup>(Macrocycle<sup>•3-</sup>)} Radicals with Intrinsic Charge Transfer from CpFe(CO)<sub>2</sub> to Macrocycles (Cp: Cp or Cp*); Effective Magnetic Coupling between Radical Trianionic Macrocycles<sup>•3</sup>.","ACS omega","2018","3","11","14875","14888","10.1021/acsomega.8b02221","","x-ray","0.71073","MoKα","","0.0328","0.0253","","","0.0628","0.0664","","","","","","1.042","","","","has coordinates","226131","2020-10-21","18:00:00",""
"4516131","24.6695","0.0014","18.6531","0.001","20.3858","0.0011","90","","90","","90","","9380.8","0.9","298","2","298","2","","","","","","","","6","P b c n","-P 2n 2ab","60","(mu2-alpha,alpha'-bis((5,7-Dimethyl-1,4,8,11-tetra-azacyclotetradecan-6-yl) -o-xylene))-(mu2-azide)-bis(perchlorate)-di-copper(ii) perchlorate hydrate","","","- C32 H63 Cl3 Cu2 N11 O12.5 -","- C32 H62 Cl3 Cu2 N11 O12.5 -","- C256 H496 Cl24 Cu16 N88 O100 -","8","1","","Invernici, Michele; Ciarrocchi, Carlo; Dondi, Daniele; Fabbrizzi, Luigi; Lazzaroni, Simone; Licchelli, Maurizio; Boiocchi, Massimo; Bonizzoni, Marco","Bimacrocyclic Effect in Anion Recognition by a Copper(II) Bicyclam Complex.","ACS omega","2018","3","11","15692","15701","10.1021/acsomega.8b01710","","","0.7107","MoKα","","0.0966","0.0777","","","0.2285","0.2609","","","","","","1.034","","","","has coordinates,has disorder","226132","2020-10-21","18:00:00",""
"4516132","12.7702","0.0017","28.911","0.003","5.2268","0.0006","90","","90","","90","","1929.7","0.4","293","2","293.15","","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C23 H18 N6 -","- C23 H18 N6 -","- C92 H72 N24 -","4","1","","Banerji, Biswadip; Chandrasekhar, Kadaiahgari; Sreenath, Kancham; Roy, Saheli; Nag, Sayoni; Saha, Krishna Das","Synthesis of Triazole-Substituted Quinazoline Hybrids for Anticancer Activity and a Lead Compound as the EGFR Blocker and ROS Inducer Agent.","ACS omega","2018","3","11","16134","16142","10.1021/acsomega.8b01960","","","0.71073","MoKα","","0.1005","0.041","","","0.0853","0.1004","","","","","","0.96","","","","has coordinates","226133","2020-10-21","18:00:00",""
"4516133","15.833","0.0005","6.44809","0.00019","15.5345","0.0005","90","","90.5223","0.0015","90","","1585.89","0.09","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-(9H-pyreno[4,5-d]imidazol-10-yl)benzaldehyde","","- C24 H14 N2 O -","- C24 H14 N2 O -","- C96 H56 N8 O4 -","4","1","","Tabasi, Zahra A.; Younes, Eyad A.; Walsh, Joshua C.; Thompson, David W.; Bodwell, Graham J.; Zhao, Yuming","Pyrenoimidazolyl-Benzaldehyde Fluorophores: Synthesis, Properties, and Sensing Function for Fluoride Anions.","ACS omega","2018","3","11","16387","16397","10.1021/acsomega.8b02482","","","1.54178","CuKα","","0.0549","0.0521","","","0.1573","0.1617","","","","","","1.107","","","","has coordinates","226134","2020-10-21","18:00:00",""
"4516134","13.7747","0.0002","8.1613","0.0001","22.0303","0.0003","90","","102.249","0.0007","90","","2420.25","0.06","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H26 N2 O3 S2 -","- C28 H26 N2 O3 S2 -","- C112 H104 N8 O12 S8 -","4","1","","Tabasi, Zahra A.; Younes, Eyad A.; Walsh, Joshua C.; Thompson, David W.; Bodwell, Graham J.; Zhao, Yuming","Pyrenoimidazolyl-Benzaldehyde Fluorophores: Synthesis, Properties, and Sensing Function for Fluoride Anions.","ACS omega","2018","3","11","16387","16397","10.1021/acsomega.8b02482","","","1.54178","CuKα","","0.0446","0.0402","","","0.1154","0.1191","","","","","","1.072","","","","has coordinates","226135","2020-10-21","18:00:00",""
"4516135","13.4961","0.0007","7.3977","0.0003","17.2981","0.0009","90","","108.456","0.006","90","","1638.22","0.15","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C34 H32 Cl2 Cu2 N6 P2 -","- C34 H32 Cl2 Cu2 N6 P2 -","- C68 H64 Cl4 Cu4 N12 P4 -","2","0.5","","Kumar, Saurabh; Mondal, Dipanjan; Balakrishna, Maravanji S.","Diverse Architectures and Luminescence Properties of Group 11 Complexes Containing Pyrimidine-Based Phosphine, <i>N</i>-((Diphenylphosphine)methyl)pyrimidin-2-amine.","ACS omega","2018","3","12","16601","16614","10.1021/acsomega.8b02484","","x-ray","0.71073","MoKα","","0.0272","0.0255","","","0.0678","0.0687","","","","","","1.045","","","","has coordinates","226136","2020-10-21","18:00:00",""
"4516136","13.4532","0.0006","7.4445","0.0002","17.5935","0.0008","90","","106.285","0.004","90","","1691.34","0.12","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C17 H16 Br Cu N3 P -","- C17 H16 Br Cu N3 P -","- C68 H64 Br4 Cu4 N12 P4 -","4","1","","Kumar, Saurabh; Mondal, Dipanjan; Balakrishna, Maravanji S.","Diverse Architectures and Luminescence Properties of Group 11 Complexes Containing Pyrimidine-Based Phosphine, <i>N</i>-((Diphenylphosphine)methyl)pyrimidin-2-amine.","ACS omega","2018","3","12","16601","16614","10.1021/acsomega.8b02484","","","0.71073","MoKα","","0.0312","0.0268","","","0.0649","0.0677","","","","","","1.034","","","","has coordinates","226136","2020-10-21","18:00:00",""
"4516137","9.636","0.0002","10.2333","0.0003","12.8232","0.0003","69.01","0.002","81.979","0.002","71.386","0.002","1118.36","0.05","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C38 H38 Cu4 I4 N8 P2 -","- C38 H38 Cu4 I4 N8 P2 -","- C38 H38 Cu4 I4 N8 P2 -","1","0.5","","Kumar, Saurabh; Mondal, Dipanjan; Balakrishna, Maravanji S.","Diverse Architectures and Luminescence Properties of Group 11 Complexes Containing Pyrimidine-Based Phosphine, <i>N</i>-((Diphenylphosphine)methyl)pyrimidin-2-amine.","ACS omega","2018","3","12","16601","16614","10.1021/acsomega.8b02484","","x-ray","0.71073","MoKα","","0.0236","0.0199","","","0.0496","0.0513","","","","","","1.051","","","","has coordinates","226136","2020-10-21","18:00:00",""
"4516138","9.3162","0.0003","18.1124","0.0007","23.9326","0.0009","90","","90","","90","","4038.4","0.3","100","2","100","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C36 H32 Ag2 F6 N6 O6 P2 S2 -","- C36 H32 Ag2 F6 N6 O6 P2 S2 -","- C144 H128 Ag8 F24 N24 O24 P8 S8 -","4","1","","Kumar, Saurabh; Mondal, Dipanjan; Balakrishna, Maravanji S.","Diverse Architectures and Luminescence Properties of Group 11 Complexes Containing Pyrimidine-Based Phosphine, <i>N</i>-((Diphenylphosphine)methyl)pyrimidin-2-amine.","ACS omega","2018","3","12","16601","16614","10.1021/acsomega.8b02484","","x-ray","0.71073","MoKα","","0.0387","0.0342","","","0.0725","0.0743","","","","","","1.061","","","","has coordinates,has disorder","226136","2020-10-21","18:00:00",""
"4516139","9.3737","0.0006","10.3726","0.0006","11.0196","0.0008","108.252","0.006","102.115","0.006","110.351","0.005","890.77","0.13","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C34 H32 Ag2 B2 F8 N6 P2 -","- C34 H32 Ag2 B2 F8 N6 P2 -","- C34 H32 Ag2 B2 F8 N6 P2 -","1","0.5","","Kumar, Saurabh; Mondal, Dipanjan; Balakrishna, Maravanji S.","Diverse Architectures and Luminescence Properties of Group 11 Complexes Containing Pyrimidine-Based Phosphine, <i>N</i>-((Diphenylphosphine)methyl)pyrimidin-2-amine.","ACS omega","2018","3","12","16601","16614","10.1021/acsomega.8b02484","","x-ray","0.71073","MoKα","","0.0999","0.0779","","","0.2136","0.2468","","","","","","0.932","","","","has coordinates","226136","2020-10-21","18:00:00",""
"4516140","19.4767","0.0007","8.5915","0.0003","20.9829","0.0006","90","","96.19","0.003","90","","3490.7","0.2","150","","150","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17 H16 Au Cl N3 P -","- C17 H16 Au Cl N3 P -","- C136 H128 Au8 Cl8 N24 P8 -","8","2","","Kumar, Saurabh; Mondal, Dipanjan; Balakrishna, Maravanji S.","Diverse Architectures and Luminescence Properties of Group 11 Complexes Containing Pyrimidine-Based Phosphine, <i>N</i>-((Diphenylphosphine)methyl)pyrimidin-2-amine.","ACS omega","2018","3","12","16601","16614","10.1021/acsomega.8b02484","","x-ray","0.71073","MoKα","","0.0333","0.0273","","","0.0578","0.0609","","","","","","1.043","","","","has coordinates","226136","2020-10-21","18:00:00",""
"4516141","11.9962","0.0003","14.6765","0.0004","13.8899","0.0004","90","","93.394","0.002","90","","2441.2","0.11","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C32 H48 Bi2 Br10 N4 -","- C32 H48 Bi2 Br10 N4 -","- C64 H96 Bi4 Br20 N8 -","2","1","","Moon, Tae Hwan; Oh, Seung-Jin; Ok, Kang Min","[((<i>R</i>)-C<sub>8</sub>H<sub>12</sub>N)<sub>4</sub>][Bi<sub>2</sub>Br<sub>10</sub>] and [((<i>S</i>)-C<sub>8</sub>H<sub>12</sub>N)<sub>4</sub>][Bi<sub>2</sub>Br<sub>10</sub>]: Chiral Hybrid Bismuth Bromides Templated by Chiral Organic Cations.","ACS omega","2018","3","12","17895","17903","10.1021/acsomega.8b02877","","","0.71073","MoKα","","0.0605","0.0323","","","0.0542","0.0602","","","","","","0.95","","","","has coordinates","226137","2020-10-21","18:00:00",""
"4516142","11.997","0.002","14.728","0.003","13.94","0.003","90","","93.44","0.03","90","","2458.6","0.8","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C32 H48 Bi2 Br10 N4 -","- C32 H48 Bi2 Br10 N4 -","- C64 H96 Bi4 Br20 N8 -","2","1","","Moon, Tae Hwan; Oh, Seung-Jin; Ok, Kang Min","[((<i>R</i>)-C<sub>8</sub>H<sub>12</sub>N)<sub>4</sub>][Bi<sub>2</sub>Br<sub>10</sub>] and [((<i>S</i>)-C<sub>8</sub>H<sub>12</sub>N)<sub>4</sub>][Bi<sub>2</sub>Br<sub>10</sub>]: Chiral Hybrid Bismuth Bromides Templated by Chiral Organic Cations.","ACS omega","2018","3","12","17895","17903","10.1021/acsomega.8b02877","","x-ray","0.63","synchrotron","","0.0483","0.0371","","","0.084","0.0884","","","","","","0.955","","","","has coordinates","226137","2020-10-21","18:00:00",""
"4516143","15.127","0.0017","9.2725","0.001","15.5544","0.0017","90","","109.256","0.001","90","","2059.7","0.4","293","2","293.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H13 F2 I O2 S -","- C22 H13 F2 I O2 S -","- C88 H52 F8 I4 O8 S4 -","4","1","","Zhang, Jitan; Liang, Zhenda; Wang, Jun; Guo, Ziyi; Liu, Changqing; Xie, Meihua","Metal-Free Synthesis of Functionalized Tetrasubstituted Alkenes by Three-Component Reaction of Alkynes, Iodine, and Sodium Sulfinates.","ACS omega","2018","3","12","18002","18015","10.1021/acsomega.8b02966","","","0.71073","MoKα","","0.0352","0.032","","","0.0771","0.0795","","","","","","1.054","","","","has coordinates","226138","2020-10-21","18:00:00",""
"4516144","17.286","0.002","8.3835","0.0011","14.2909","0.0019","90","","90","","90","","2071","0.5","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C22 H17 I O3 S -","- C22 H17 I O3 S -","- C88 H68 I4 O12 S4 -","4","1","","Zhang, Jitan; Liang, Zhenda; Wang, Jun; Guo, Ziyi; Liu, Changqing; Xie, Meihua","Metal-Free Synthesis of Functionalized Tetrasubstituted Alkenes by Three-Component Reaction of Alkynes, Iodine, and Sodium Sulfinates.","ACS omega","2018","3","12","18002","18015","10.1021/acsomega.8b02966","","","0.71073","MoKα","","0.0408","0.0383","","","0.0912","0.0937","","","","","","1.061","","","","has coordinates","226139","2020-10-21","18:00:00",""
"4516145","8.3914","0.0009","10.1833","0.0011","11.436","0.0012","66.578","0.001","82.676","0.001","85.465","0.001","888.96","0.16","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C17 H16 Br I O3 S -","- C17 H16 Br I O3 S -","- C34 H32 Br2 I2 O6 S2 -","2","1","","Zhang, Jitan; Liang, Zhenda; Wang, Jun; Guo, Ziyi; Liu, Changqing; Xie, Meihua","Metal-Free Synthesis of Functionalized Tetrasubstituted Alkenes by Three-Component Reaction of Alkynes, Iodine, and Sodium Sulfinates.","ACS omega","2018","3","12","18002","18015","10.1021/acsomega.8b02966","","","0.71073","MoKα","","0.0331","0.0307","","","0.0857","0.087","","","","","","1.059","","","","has coordinates","226140","2020-10-21","18:00:00",""
"4516146","8.9059","0.0004","10.388","0.0005","11.1079","0.0005","64.715","0.001","88.475","0.001","80.124","0.001","914.16","0.07","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C11 H16 N O13 P Pb2 S -","- C11 H14 N O13 P Pb2 S -","- C22 H28 N2 O26 P2 Pb4 S2 -","2","1","","Cai, Xiao-Ou; Sun, Meng; Shao, Yu-Jing; Liu, Fang; Liu, Qun-Li; Zhu, Yan-Yu; Sun, Zhen-Gang; Dong, Da-Peng; Li, Jing","Two Highly Stable Luminescent Lead Phosphonates Based on Mixed Ligands: Highly Selective and Sensitive Sensing for Thymine Molecule and VO<sub>3</sub><sup>-</sup> Anion.","ACS omega","2018","3","12","16443","16452","10.1021/acsomega.8b02030","","","0.71073","MoKα","","0.031","0.0269","","","0.0686","0.0717","","","","","","0.956","","","","has coordinates","226141","2020-10-21","18:00:00",""
"4516147","9.4266","0.0007","12.5779","0.0009","13.2779","0.001","100.972","0.001","90.825","0.001","104.333","0.001","1494.3","0.19","295","2","295","2","","","","","","","","7","P -1","-P 1","2","","","","- C17 H28 N2 O16 P2 Pb3 S -","- C17 H28 N2 O16 P2 Pb3 S -","- C34 H56 N4 O32 P4 Pb6 S2 -","2","1","","Cai, Xiao-Ou; Sun, Meng; Shao, Yu-Jing; Liu, Fang; Liu, Qun-Li; Zhu, Yan-Yu; Sun, Zhen-Gang; Dong, Da-Peng; Li, Jing","Two Highly Stable Luminescent Lead Phosphonates Based on Mixed Ligands: Highly Selective and Sensitive Sensing for Thymine Molecule and VO<sub>3</sub><sup>-</sup> Anion.","ACS omega","2018","3","12","16443","16452","10.1021/acsomega.8b02030","","","0.71073","MoKα","","0.0464","0.0398","","","0.1094","0.1138","","","","","","1.011","","","","has coordinates","226142","2020-10-21","18:00:00",""
"4516148","10.19","0.008","6.636","0.005","18.242","0.014","90","","104.79","0.02","90","","1192.7","1.6","200","2","200","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C28 H32 F N O2 S -","- C28 H32 F N O2 S -","- C56 H64 F2 N2 O4 S2 -","2","1","","Okolo, ChrisTina; Ali, Mohamad Akbar; Newman, Matthew; Chambers, Steven A.; Whitt, Jedidiah; Alsharif, Zakeyah A.; Day, Victor W.; Alam, Mohammad A.","Hexafluoroisopropanol-Mediated Domino Reaction for the Synthesis of Thiazolo-androstenones: Potent Anticancer Agents.","ACS omega","2018","3","12","17991","18001","10.1021/acsomega.8b02840","","","0.71073","MoKα","","0.064","0.0461","","","0.1074","0.1212","","","","","","1.039","","","","has coordinates","226143","2020-10-21","18:00:00",""
"4516149","7.212","0.004","8.116","0.004","36.696","0.017","90","","90","","90","","2147.9","1.9","200","2","200","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C26 H28 F N O S -","- C26 H28 F N O S -","- C104 H112 F4 N4 O4 S4 -","4","1","","Okolo, ChrisTina; Ali, Mohamad Akbar; Newman, Matthew; Chambers, Steven A.; Whitt, Jedidiah; Alsharif, Zakeyah A.; Day, Victor W.; Alam, Mohammad A.","Hexafluoroisopropanol-Mediated Domino Reaction for the Synthesis of Thiazolo-androstenones: Potent Anticancer Agents.","ACS omega","2018","3","12","17991","18001","10.1021/acsomega.8b02840","","","0.71073","MoKα","","0.0826","0.059","","","0.1269","0.1372","","","","","","1.051","","","","has coordinates","226144","2020-10-21","18:00:00",""
"4516150","9.5976","0.0012","37.906","0.004","55.277","0.006","90","","90","","90","","20110","4","200","2","200","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C26 H28 Br N O S -","- C26 H28 Br N O S -","- C936 H1008 Br36 N36 O36 S36 -","36","9","","Okolo, ChrisTina; Ali, Mohamad Akbar; Newman, Matthew; Chambers, Steven A.; Whitt, Jedidiah; Alsharif, Zakeyah A.; Day, Victor W.; Alam, Mohammad A.","Hexafluoroisopropanol-Mediated Domino Reaction for the Synthesis of Thiazolo-androstenones: Potent Anticancer Agents.","ACS omega","2018","3","12","17991","18001","10.1021/acsomega.8b02840","","","1.54178","CuKα","","0.1524","0.1354","","","0.3398","0.353","","","","","","1.044","","","","has coordinates","226145","2020-10-21","18:00:00",""
"4516151","9.603","0.002","7.0203","0.0016","15.771","0.004","90","","93.616","0.003","90","","1061.1","0.4","200","2","200","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C26 H28 F N O S -","- C26 H28 F N O S -","- C52 H56 F2 N2 O2 S2 -","2","1","","Okolo, ChrisTina; Ali, Mohamad Akbar; Newman, Matthew; Chambers, Steven A.; Whitt, Jedidiah; Alsharif, Zakeyah A.; Day, Victor W.; Alam, Mohammad A.","Hexafluoroisopropanol-Mediated Domino Reaction for the Synthesis of Thiazolo-androstenones: Potent Anticancer Agents.","ACS omega","2018","3","12","17991","18001","10.1021/acsomega.8b02840","","","0.71073","MoKα","","0.0686","0.0466","","","0.092","0.104","","","","","","1.027","","","","has coordinates","226146","2020-10-21","18:00:00",""
"4516152","11.8883","0.0003","7.4114","0.0003","20.6224","0.0007","90","","95.281","0.003","90","","1809.31","0.11","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H21 N O2 S -","- C22 H21 N O2 S -","- C88 H84 N4 O8 S4 -","4","1","","Mane, Vaijinath; Baiju, Thekke V.; Namboothiri, Irishi N. N.","Synthesis of Functionalized Thieno[2,3-<i>b</i>]indoles via One-Pot Reaction of Indoline-2-thiones with Morita-Baylis-Hillman and Rauhut-Currier Adducts of Nitroalkenes.","ACS omega","2018","3","12","17617","17628","10.1021/acsomega.8b02147","","x-ray","0.71073","MoKα","","0.0431","0.0354","","","0.094","0.0986","","","","","","1.061","","","","has coordinates","226147","2020-10-21","18:00:00",""
"4516153","15.959","0.005","8.47","0.002","21.482","0.006","90","","108.034","0.004","90","","2761.1","1.3","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H33 N3 O4 S -","- C28 H33 N3 O4 S -","- C112 H132 N12 O16 S4 -","4","1","","Mane, Vaijinath; Baiju, Thekke V.; Namboothiri, Irishi N. N.","Synthesis of Functionalized Thieno[2,3-<i>b</i>]indoles via One-Pot Reaction of Indoline-2-thiones with Morita-Baylis-Hillman and Rauhut-Currier Adducts of Nitroalkenes.","ACS omega","2018","3","12","17617","17628","10.1021/acsomega.8b02147","","","0.7107","MoKα","","0.0701","0.0545","","","0.1192","0.129","","","","","","1.103","","","","has coordinates","226148","2020-10-21","18:00:00",""
"4516154","11.08","0.02","11.755","0.018","11.961","0.014","63.18","0.17","66.29","0.17","71.29","0.18","1254","4","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C26 H32 N3 O4 S -","- C26 H31 N3 O4 S -","- C52 H62 N6 O8 S2 -","2","1","","Mane, Vaijinath; Baiju, Thekke V.; Namboothiri, Irishi N. N.","Synthesis of Functionalized Thieno[2,3-<i>b</i>]indoles via One-Pot Reaction of Indoline-2-thiones with Morita-Baylis-Hillman and Rauhut-Currier Adducts of Nitroalkenes.","ACS omega","2018","3","12","17617","17628","10.1021/acsomega.8b02147","","","0.7107","MoKα","","0.106","0.0621","","","0.1244","0.1519","","","","","","0.87","","","","has coordinates","226149","2020-10-21","18:00:00",""
"4516155","16.4194","0.0007","10.6606","0.0005","11.1508","0.0004","90","","107.03","0.003","90","","1866.26","0.14","298","","298","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H17 Cl2 N O2 -","- C21 H17 Cl2 N O2 -","- C84 H68 Cl8 N4 O8 -","4","1","","Zhang, Mingming; Prior, Allan M.; Maddox, Marcus M.; Shen, Wan-Jou; Hevener, Kirk E.; Bruhn, David F.; Lee, Robin B.; Singh, Aman P.; Reinicke, Justin; Simmons, Charles J.; Hurdle, Julian G.; Lee, Richard E.; Sun, Dianqing","Pharmacophore Modeling, Synthesis, and Antibacterial Evaluation of Chalcones and Derivatives.","ACS omega","2018","3","12","18343","18360","10.1021/acsomega.8b03174","","","0.71069","MoKα","","","0.0447","","","","0.0483","","","","","","1.141","","","","has coordinates","226150","2020-10-21","18:00:00",""
"4516156","16.077","0.0007","16.3313","0.0009","16.9952","0.0009","90","","107.066","0.002","90","","4265.7","0.4","170","2","170","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C12 H28 I3 P Pb -","- C12 H28 I3 P Pb -","- C96 H224 I24 P8 Pb8 -","8","4","","Omahen, Emily H.; Binder, Justin F.; Jacobs, Brad F.; Swidan, Ala'aeddeen; Macdonald, Charles L. B.","Phosphonium-Templated Iodoplumbates.","ACS omega","2018","3","12","17077","17082","10.1021/acsomega.8b02240","","","0.71073","MoKα","","0.1017","0.0552","","","0.1097","0.1364","","","","","","1.113","","","","has coordinates,has disorder","226151","2020-10-21","18:00:00",""
"4516157","24.56","0.002","13.0686","0.0011","16.1499","0.0014","90","","110.037","0.002","90","","4869.8","0.7","170","2","170","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C40 H39 I6 N P2 Pb2 -","- C40 H39 I6 N P2 Pb2 -","- C160 H156 I24 N4 P8 Pb8 -","4","0.5","","Omahen, Emily H.; Binder, Justin F.; Jacobs, Brad F.; Swidan, Ala'aeddeen; Macdonald, Charles L. B.","Phosphonium-Templated Iodoplumbates.","ACS omega","2018","3","12","17077","17082","10.1021/acsomega.8b02240","","","0.71073","MoKα","","0.0522","0.0371","","","0.0783","0.0854","","","","","","1.154","","","","has coordinates,has disorder","226152","2020-10-21","18:00:00",""
"4516158","15.3593","0.0006","11.1506","0.0004","7.9441","0.0003","90","","100.889","0.001","90","","1336.05","0.09","170","2","170","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C8 H22 I6 P2 Pb2 -","- C7.998 H24 I6 P2 Pb2 -","- C15.996 H48 I12 P4 Pb4 -","2","0.25","","Omahen, Emily H.; Binder, Justin F.; Jacobs, Brad F.; Swidan, Ala'aeddeen; Macdonald, Charles L. B.","Phosphonium-Templated Iodoplumbates.","ACS omega","2018","3","12","17077","17082","10.1021/acsomega.8b02240","","","0.71073","MoKα","","0.0409","0.0296","","","0.0661","0.0718","","","","","","1.062","","","","has coordinates,has disorder","226153","2020-10-21","18:00:00",""
"4516159","8.1978","0.001","8.1978","0.001","6.0037","0.0008","90","","90","","90","","403.47","0.09","170","","170","","","","","","","","","4","P 4/n m m :2","-P 4a 2a","129","","","","- C4 H12 I P -","- C4 H12 I P -","- C8 H24 I2 P2 -","2","0.125","","Omahen, Emily H.; Binder, Justin F.; Jacobs, Brad F.; Swidan, Ala'aeddeen; Macdonald, Charles L. B.","Phosphonium-Templated Iodoplumbates.","ACS omega","2018","3","12","17077","17082","10.1021/acsomega.8b02240","","","0.71073","MoKα","","0.0501","0.0423","","","0.0914","0.0962","","","","","","1.232","","","","has coordinates,has disorder","226154","2020-10-21","18:00:00",""
"4516160","10.0382","0.0008","10.0382","0.0008","23.738","0.002","90","","90","","120","","2071.5","0.3","170","2","170","2","","","","","","","","5","P 65","P 65","170","","","","- C4 H12 I3 P Pb -","- C4 H12 I3 P Pb -","- C24 H72 I18 P6 Pb6 -","6","1","","Omahen, Emily H.; Binder, Justin F.; Jacobs, Brad F.; Swidan, Ala'aeddeen; Macdonald, Charles L. B.","Phosphonium-Templated Iodoplumbates.","ACS omega","2018","3","12","17077","17082","10.1021/acsomega.8b02240","","","0.71073","MoKα","","0.0489","0.0471","","","0.1125","0.1144","","","","","","1.108","","","","has coordinates","226155","2020-10-21","18:00:00",""
"4516161","16.097","0.0009","9.1111","0.0005","17.2334","0.001","90","","114.177","0.002","90","","2305.8","0.2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H20 Br N3 O3 -","- C27 H20 Br N3 O3 -","- C108 H80 Br4 N12 O12 -","4","1","","Maity, Pampa; Naskar, Barnali; Goswami, Sanchita; Prodhan, Chandraday; Chaudhuri, Tandrima; Chaudhuri, Keya; Mukhopadhyay, Chhanda","Pyrrolo[3,4-c]pyridine-Based Fluorescent Chemosensor for Fe3+/Fe2+ Sensitivity and Their Application in Living HepG2 Cells","ACS Omega","2018","3","12","18646","","10.1021/acsomega.8b02110","","","0.71073","MoKα","","0.028","0.0258","","","0.087","0.0906","","","","","","0.73","","","","has coordinates","226156","2020-10-21","18:00:00",""
"4516162","18.4872","0.0014","18.4872","0.0014","18.4872","0.0014","90","","90","","90","","6318.5","0.8","120","2","120","2","","","","","","","","6","I a -3 d","-I 4bd 2c 3","230","","Bis-[2,4,6-tri(pyrazol-1-yl)-1,3,5-triazine]nickel(II) di-tetrafluoroborate","","- C24 H18 B2 F8 N18 Ni -","- C24 H18 B2 F8 N18 Ni0.99 -","- C192 H144 B16 F64 N144 Ni7.92 -","8","0.0833333","","Berdiell, Izar Capel; Kulak, Alexander N.; Warriner, Stuart L.; Halcrow, Malcolm A.","Heterometallic Coordination Polymer Gels Supported by 2,4,6-Tris(pyrazol-1-yl)-1,3,5-triazine.","ACS omega","2018","3","12","18466","18474","10.1021/acsomega.8b02508","","","1.54184","CuKα","","0.0926","0.0781","","","0.2314","0.2621","","","","","","1.09","","","","has coordinates","226157","2020-10-21","18:00:00",""
"4516163","12.3764","0.0007","16.8545","0.0014","21.0272","0.0019","107.562","0.008","91.665","0.006","106.956","0.006","3966.9","0.6","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","[2,4-Di(pyrazol-1-yl)-6-hydroxy-1,3,5-triazinate]-tris[2,4,6-tri- (pyrazol-1-yl)-1,3,5-triazine][1H-pyrazole]dicopper(II) tri(tetrafluoroborate) nitromethane (7/6.25) solvate","","- C54.25 H55.75 B3 Cu2 F12 N42.25 O13.5 -","- C54.25 H55.75 B3 Cu2 F12 N42.25 O13.5 -","- C108.5 H111.5 B6 Cu4 F24 N84.5 O27 -","2","1","","Berdiell, Izar Capel; Kulak, Alexander N.; Warriner, Stuart L.; Halcrow, Malcolm A.","Heterometallic Coordination Polymer Gels Supported by 2,4,6-Tris(pyrazol-1-yl)-1,3,5-triazine.","ACS omega","2018","3","12","18466","18474","10.1021/acsomega.8b02508","","","1.54184","CuKα","","0.0805","0.0742","","","0.2103","0.2185","","","","","","1.033","","","","has coordinates,has disorder","226157","2020-10-21","18:00:00",""
"4516164","17.8353","0.0008","25.3177","0.0013","27.4906","0.0011","90","","90","","90","","12413.3","1","120","2","120","2","","","","","","","","6","F d d d :2","-F 2uv 2vw","70","","Bis-[2,4,6-tri(pyrazol-1-yl)pyrimidine]iron(II) di(tetrafluoroborate)","","- C26 H20 B2 F8 Fe N16 -","- C26 H20 B2 F8 Fe N16 -","- C416 H320 B32 F128 Fe16 N256 -","16","0.5","","Berdiell, Izar Capel; Kulak, Alexander N.; Warriner, Stuart L.; Halcrow, Malcolm A.","Heterometallic Coordination Polymer Gels Supported by 2,4,6-Tris(pyrazol-1-yl)-1,3,5-triazine.","ACS omega","2018","3","12","18466","18474","10.1021/acsomega.8b02508","","","1.54184","CuKα","","0.0851","0.0755","","","0.2077","0.2157","","","","","","1.091","","","","has coordinates,has disorder","226157","2020-10-21","18:00:00",""
"4516165","15.2393","0.0002","31.6772","0.0003","15.9371","0.0002","90","","111.945","0.001","90","","7136.01","0.15","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Bis-[2,4,6-tri(pyrazol-1-yl)pyrimidine]iron(II) diperchlorate nitromethane (1/) solvate","","- C26.9 H23.2 Cl2 Fe N16.9 O9.93 -","- C26.9 H22.7 Cl2 Fe N16.9 O9.925 -","- C215.2 H181.6 Cl16 Fe8 N135.2 O79.4 -","8","2","","Berdiell, Izar Capel; Kulak, Alexander N.; Warriner, Stuart L.; Halcrow, Malcolm A.","Heterometallic Coordination Polymer Gels Supported by 2,4,6-Tris(pyrazol-1-yl)-1,3,5-triazine.","ACS omega","2018","3","12","18466","18474","10.1021/acsomega.8b02508","","","1.54184","CuKα","","0.0728","0.0672","","","0.1822","0.1869","","","","","","1.079","","","","has coordinates,has disorder","226157","2020-10-21","18:00:00",""
"4516166","34.0363","0.0008","7.9956","0.0002","18.5251","0.0004","90","","97.374","0.001","90","","4999.7","0.2","120","2","120","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","N,N'-bismesitylphenanthrone-9,10-diimine","","- C32 H30 N2 -","- C32 H30 N2 -","- C256 H240 N16 -","8","1","","Dong, Chao; Dickie, Diane A.; Maio, William A.; Manz, Thomas A.","Synthesis and Characterization of <i>N</i>,<i>N</i>'-Bismesityl Phenanthrene-9,10-diimine and Imine-Nitrone.","ACS omega","2018","3","12","16858","16865","10.1021/acsomega.8b02981","","","0.71073","MoKα","","0.0626","0.0459","","","0.1136","0.124","","","","","","1.037","","","","has coordinates","226158","2020-10-21","18:00:00",""
"4516167","7.62509","0.00011","8.44847","0.00012","15.92585","0.00016","104.231","0.001","94.45","0.001","103.15","0.0012","958.65","0.02","99.98","0.13","99.98","0.13","","","","","","","","5","P -1","-P 1","2","m-CF3-dithiatriazine dimer","4,9-bis[3-(trifluoromethyl)phenyl]-1l4,2l4,6l4,7l4-Tetrathia-3,5,8,10,11,12-hexaazatricyclo[5.3.1.12,6]dodeca-1(11),2,4,6(12),7,9-hexaene","","- C8 H4 F3 N3 S2 -","- C8 H4 F3 N3 S2 -","- C32 H16 F12 N12 S8 -","4","2","","Boeré, René T","Experimental and Computational Evidence for ""Double Pancake Bonds"": The Role of Dispersion-Corrected DFT Methods in Strongly Dimerized 5-Aryl-1λ<sup>2</sup>,3λ<sup>2</sup>-dithia-2,4,6-triazines.","ACS omega","2018","3","12","18170","18180","10.1021/acsomega.8b03211","","x-ray","1.54184","CuKα","","0.0398","0.0385","","","0.1067","0.1076","","","","","","1.082","","","","has coordinates,has disorder","226159","2020-10-21","18:00:00",""
"4516168","22.90772","0.00016","4.66989","0.00003","22.2724","0.0002","90","","106.678","0.0009","90","","2282.39","0.03","100.01","0.1","100.01","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","mCF3-bicyclic","7-[3-(Trifluoromethyl)phenyl]-1l4,3l4,5l4-trithia-2,4,6,8,9-pentaazabicyclo [3.3.1]nona-1(9),2,3,5,7-pentaene","","- C8 H4 F3 N5 S3 -","- C8 H4 F3 N5 S3 -","- C64 H32 F24 N40 S24 -","8","1","","Boeré, René T","Experimental and Computational Evidence for ""Double Pancake Bonds"": The Role of Dispersion-Corrected DFT Methods in Strongly Dimerized 5-Aryl-1λ<sup>2</sup>,3λ<sup>2</sup>-dithia-2,4,6-triazines.","ACS omega","2018","3","12","18170","18180","10.1021/acsomega.8b03211","","x-ray","1.54184","CuKα","","0.0286","0.028","","","0.0741","0.0744","","","","","","1.075","","","","has coordinates","226159","2020-10-21","18:00:00",""
"4516169","10.4125","0.0008","7.9214","0.0006","17.1706","0.0013","90","","100.71","0.001","90","","1391.59","0.18","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C33 H29 N O5 S -","- C33 H29 N O5 S -","- C66 H58 N2 O10 S2 -","2","1","","Chen, Ying-Han; Li, De-Hai; Liu, Yan-Kai","Diversified Synthesis of Chiral Chromane-Containing Polyheterocyclic Compounds via Asymmetric Organocatalytic Cascade Reactions.","ACS omega","2018","3","12","16615","16625","10.1021/acsomega.8b02891","","","0.71073","MoKα","","0.0456","0.0353","","","0.0832","0.0898","","","","","","1.015","","","","has coordinates","226160","2020-10-21","18:00:00",""
"4516170","11.977","0.0015","11.977","0.0015","47.127","0.012","90","","90","","120","","5854.6","1.8","296.15","","296.15","","","","","","","","","5","P 61","P 61","169","","","","- C48 H38 N2 O6 S2 -","- C48 H38 N2 O6 S2 -","- C288 H228 N12 O36 S12 -","6","1","","Chen, Ying-Han; Li, De-Hai; Liu, Yan-Kai","Diversified Synthesis of Chiral Chromane-Containing Polyheterocyclic Compounds via Asymmetric Organocatalytic Cascade Reactions.","ACS omega","2018","3","12","16615","16625","10.1021/acsomega.8b02891","","","0.71073","MoKα","","0.0731","0.0459","","","0.0835","0.0915","","","","","","1.024","","","","has coordinates","226161","2020-10-21","18:00:00",""
"4516171","6.2228","0.0006","16.253","0.001","17.111","0.001","90","","90","","90","","1730.6","0.2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H13 N O3 -","- C23 H13 N O3 -","- C92 H52 N4 O12 -","4","1","","Grolleau, Jérémie; Petrov, Ravil; Allain, Magali; Skene, William G.; Frère, Pierre","Solid-State Emission Enhancement via Molecular Engineering of Benzofuran Derivatives.","ACS omega","2018","3","12","18542","18552","10.1021/acsomega.8b02384","","x-ray","0.71073","MoKα","","0.0897","0.0398","","","0.0714","0.086","","","","","","1.09","","","","has coordinates","226162","2020-10-21","18:00:00",""
"4516172","13.4246","0.0005","5.6336","0.0002","7.7042","0.0003","90","","90.883","0.003","90","","582.59","0.04","150","0.1","150","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C16 H12 O -","- C16 H12 O -","- C32 H24 O2 -","2","0.5","","Grolleau, Jérémie; Petrov, Ravil; Allain, Magali; Skene, William G.; Frère, Pierre","Solid-State Emission Enhancement via Molecular Engineering of Benzofuran Derivatives.","ACS omega","2018","3","12","18542","18552","10.1021/acsomega.8b02384","","","1.54184","CuKα","","0.0681","0.0662","","","0.1626","0.1637","","","","","","1.118","","","","has coordinates,has disorder","226163","2020-10-21","18:00:00",""
"4516173","7.353","0.001","13.0226","0.0009","32.757","0.004","90","","90","","90","","3136.7","0.6","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C21 H13 N O2 -","- C21 H13 N O2 -","- C168 H104 N8 O16 -","8","1","","Grolleau, Jérémie; Petrov, Ravil; Allain, Magali; Skene, William G.; Frère, Pierre","Solid-State Emission Enhancement via Molecular Engineering of Benzofuran Derivatives.","ACS omega","2018","3","12","18542","18552","10.1021/acsomega.8b02384","","x-ray","0.71073","MoKα","","0.1783","0.047","","","0.0868","0.1106","","","","","","0.929","","","","has coordinates","226164","2020-10-21","18:00:00",""
"4516174","5.843","0.0002","3.9026","0.0002","30.318","0.002","90","","94.535","0.004","90","","689.17","0.06","293","1","293","1","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C19 H11 N O2 -","- C19 H11 N O2 -","- C38 H22 N2 O4 -","2","1","","Grolleau, Jérémie; Petrov, Ravil; Allain, Magali; Skene, William G.; Frère, Pierre","Solid-State Emission Enhancement via Molecular Engineering of Benzofuran Derivatives.","ACS omega","2018","3","12","18542","18552","10.1021/acsomega.8b02384","","x-ray","1.54184","CuKα","","0.0547","0.0498","","","0.1352","0.1484","","","","","","1.119","","","","has coordinates","226165","2020-10-21","18:00:00",""
"4516175","11.0189","0.0003","5.6659","0.0002","46.0573","0.0015","90","","90","","90","","2875.45","0.16","150","2","150","0.1","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C20 H14 O2 -","- C20 H14 O2 -","- C160 H112 O16 -","8","2","","Grolleau, Jérémie; Petrov, Ravil; Allain, Magali; Skene, William G.; Frère, Pierre","Solid-State Emission Enhancement via Molecular Engineering of Benzofuran Derivatives.","ACS omega","2018","3","12","18542","18552","10.1021/acsomega.8b02384","","","1.54184","CuKα","","0.0308","0.0288","","","0.0699","0.0722","","","","","","1.059","","","","has coordinates","226166","2020-10-21","18:00:00",""
"4516176","3.8218","0.0002","5.7496","0.0003","27.25","0.0013","90","","93.862","0.005","90","","597.43","0.05","150","0.1","150","0.1","","","","","","","","4","P 1 n 1","P -2yac","7","","","","- C17 H11 N O -","- C17 H11 N O -","- C34 H22 N2 O2 -","2","1","","Grolleau, Jérémie; Petrov, Ravil; Allain, Magali; Skene, William G.; Frère, Pierre","Solid-State Emission Enhancement via Molecular Engineering of Benzofuran Derivatives.","ACS omega","2018","3","12","18542","18552","10.1021/acsomega.8b02384","","x-ray","1.54184","CuKα","","0.0429","0.039","","","0.0991","0.1018","","","","","","1.081","","","","has coordinates","226167","2020-10-21","18:00:00",""
"4516177","6.4009","0.0002","7.3211","0.0003","13.9114","0.0006","90","","100.161","0.004","90","","641.69","0.04","150","0.1","150","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C18 H12 O2 -","- C18 H12 O2 -","- C36 H24 O4 -","2","1","","Grolleau, Jérémie; Petrov, Ravil; Allain, Magali; Skene, William G.; Frère, Pierre","Solid-State Emission Enhancement via Molecular Engineering of Benzofuran Derivatives.","ACS omega","2018","3","12","18542","18552","10.1021/acsomega.8b02384","","x-ray","1.54184","CuKα","","0.0344","0.0326","","","0.0922","0.0934","","","","","","1.061","","","","has coordinates","226168","2020-10-21","18:00:00",""
"4516178","11.4973","0.001","14.4173","0.0013","15.8364","0.0014","90","","109.373","0.001","90","","2476.4","0.4","273","2","273","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C13 H24 N O23 P Tb2 -","- C13 H24 N O23 P Tb2 -","- C52 H96 N4 O92 P4 Tb8 -","4","1","","Jiao, Cheng-Qi; Sun, Meng; Liu, Fang; Zhou, Ya-Nan; Zhu, Yan-Yu; Sun, Zhen-Gang; Dong, Da-Peng; Li, Jing","Terbium Oxalatophosphonate as Efficient Multiresponsive Luminescent Sensors for Chromate Anions and Tryptophan Molecules.","ACS omega","2018","3","12","16735","16742","10.1021/acsomega.8b02486","","","0.71073","MoKα","","0.0447","0.0293","","","0.0545","0.0576","","","","","","1.001","","","","has coordinates,has disorder","226169","2020-10-21","18:00:00",""
"4516179","24.483","0.002","4.4738","0.0004","19.705","0.002","90","","113.73","","90","","1975.8","0.3","273","2","273","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","pyrodpp","","","- C23 H22 N6 -","- C23 H22 N6 -","- C92 H88 N24 -","4","1","","Naik, Indravath K.; Bodapati, Ramakrishna; Sarkar, Rudraditya; Mondal, Navendu; Das, Samar K.","Functional Molecular System of Bis(pyrazolyl)pyridine Derivatives: Photophysics, Spectroscopy, Computation, and Ion Sensing.","ACS omega","2018","3","3","3022","3035","10.1021/acsomega.7b02006","","","0.71073","MoKα","","0.2181","0.0852","","","0.2269","0.3066","","","","","","0.869","","","","has coordinates","226170","2020-10-21","18:00:00",""
"4516180","7.4514","0.0007","10.2478","0.0009","12.0251","0.001","74.076","0.002","89.764","0.002","85.604","0.002","880.27","0.14","293","2","293","2","","","","","","","","5","P -1","-P 1","2","dpp phosphate","","","- C16 H20 N5 O3 P -","- C16 H20 N5 O3 P -","- C32 H40 N10 O6 P2 -","2","1","","Naik, Indravath K.; Bodapati, Ramakrishna; Sarkar, Rudraditya; Mondal, Navendu; Das, Samar K.","Functional Molecular System of Bis(pyrazolyl)pyridine Derivatives: Photophysics, Spectroscopy, Computation, and Ion Sensing.","ACS omega","2018","3","3","3022","3035","10.1021/acsomega.7b02006","","","0.71073","MoKα","","0.1225","0.0852","","","0.2203","0.255","","","","","","1.034","","","","has coordinates","226171","2020-10-21","18:00:00",""
"4516181","13.5644","0.0003","14.7817","0.0004","23.8992","0.0006","103.053","0.002","95.08","0.002","108.299","0.002","4365.7","0.2","149","2","149.4","","","","","","","","","6","P -1","-P 1","2","","","","- C68 H92 N12 O20 Re4 S4 -","- C68 H92 N12 O20 Re4 S4 -","- C136 H184 N24 O40 Re8 S8 -","2","1","","Karthikeyan, Muthuraman; Ramakrishna, Buthanapalli; Vellaiyadevan, Sivalingam; Divya, Dhanaraj; Manimaran, Bala","Amide-Functionalized Chalcogen-Bridged Flexible Tetranuclear Rhenacycles: Synthesis, Characterization, Solvent Effect on the Structure, and Guest Binding.","ACS omega","2018","3","3","3257","3266","10.1021/acsomega.7b02075","","","0.71073","MoKα","","0.0857","0.0597","","","0.1323","0.1424","","","","","","1.044","","","","has coordinates,has disorder","226172","2020-10-21","18:00:00",""
"4516182","20.384","0.0018","17.0684","0.0013","21.821","0.012","90","","94.39","0.02","90","","7570","4","151","2","150.7","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C68 H56 N8 O16 Re4 S4 -","- C68 H56 N8 O16 Re4 S4 -","- C272 H224 N32 O64 Re16 S16 -","4","1","","Karthikeyan, Muthuraman; Ramakrishna, Buthanapalli; Vellaiyadevan, Sivalingam; Divya, Dhanaraj; Manimaran, Bala","Amide-Functionalized Chalcogen-Bridged Flexible Tetranuclear Rhenacycles: Synthesis, Characterization, Solvent Effect on the Structure, and Guest Binding.","ACS omega","2018","3","3","3257","3266","10.1021/acsomega.7b02075","","","0.71073","MoKα","","0.1088","0.0652","","","0.1598","0.1808","","","","","","1.051","","","","has coordinates","226172","2020-10-21","18:00:00",""
"4516183","14.247","0.0009","14.3139","0.0007","25.3456","0.0014","79.388","0.005","82.079","0.005","84.365","0.005","5017.8","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C74 H70 N10 O18 Re4 S4 -","- C74 H70 N10 O18 Re4 S4 -","- C148 H140 N20 O36 Re8 S8 -","2","1","","Karthikeyan, Muthuraman; Ramakrishna, Buthanapalli; Vellaiyadevan, Sivalingam; Divya, Dhanaraj; Manimaran, Bala","Amide-Functionalized Chalcogen-Bridged Flexible Tetranuclear Rhenacycles: Synthesis, Characterization, Solvent Effect on the Structure, and Guest Binding.","ACS omega","2018","3","3","3257","3266","10.1021/acsomega.7b02075","","","0.71073","MoKα","","0.1988","0.0908","","","0.2184","0.2575","","","","","","0.879","","","","has coordinates","226172","2020-10-21","18:00:00",""
"4516184","13.8133","0.0004","13.9339","0.0005","14.4964","0.0005","71.743","0.003","78.559","0.003","80.466","0.003","2580.96","0.16","150","0.14","150","0.14","","","","","","","","7","P -1","-P 1","2","","","","- C92 H92 Fe4 N12 O20 Re4 S4 -","- C92 H92 Fe4 N12 O20 Re4 S4 -","- C92 H92 Fe4 N12 O20 Re4 S4 -","1","0.5","","Karthikeyan, Muthuraman; Ramakrishna, Buthanapalli; Vellaiyadevan, Sivalingam; Divya, Dhanaraj; Manimaran, Bala","Amide-Functionalized Chalcogen-Bridged Flexible Tetranuclear Rhenacycles: Synthesis, Characterization, Solvent Effect on the Structure, and Guest Binding.","ACS omega","2018","3","3","3257","3266","10.1021/acsomega.7b02075","","","0.7107","MoKα","","0.0759","0.0457","","","0.0975","0.1098","","","","","","1.144","","","","has coordinates","226172","2020-10-21","18:00:00",""
"4516185","14.9664","0.0007","17.7611","0.0008","22.4582","0.0011","92.133","0.004","101.334","0.004","106.648","0.004","5580.2","0.5","120","2","120","","","","","","","","","6","P -1","-P 1","2","","","","- C102 H96 N12 O20 Re4 S4 -","- C102 H96 N12 O20 Re4 S4 -","- C204 H192 N24 O40 Re8 S8 -","2","1","","Karthikeyan, Muthuraman; Ramakrishna, Buthanapalli; Vellaiyadevan, Sivalingam; Divya, Dhanaraj; Manimaran, Bala","Amide-Functionalized Chalcogen-Bridged Flexible Tetranuclear Rhenacycles: Synthesis, Characterization, Solvent Effect on the Structure, and Guest Binding.","ACS omega","2018","3","3","3257","3266","10.1021/acsomega.7b02075","","","0.71073","MoKα","","0.0969","0.0556","","","0.1194","0.1349","","","","","","0.957","","","","has coordinates","226172","2020-10-21","18:00:00",""
"4516186","13.305","0.003","21.832","0.004","12.476","0.003","90","","101.87","0.03","90","","3546.5","1.4","100.15","","100.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H29 Ir N6 O2 -","- C40 H29 Ir N6 O2 -","- C160 H116 Ir4 N24 O8 -","4","1","","Chandrasekhar, Vadapalli; Mahanti, Bani; Pandey, Mrituanjay D.; Narayanan, R. Suriya","Cyclometalated Ir(III) Complex as a Metalloligand and a Selective Cu(II) Sensor: Synthesis and Structural Characterization of a Heterometallic Tetranuclear Ir(III)/Cu(II) Complex.","ACS omega","2018","3","3","2786","2792","10.1021/acsomega.8b00042","","","0.71073","MoKα","","0.1407","0.0795","","","0.1448","0.1635","","","","","","0.952","","","","has coordinates","226173","2020-10-21","18:00:00",""
"4516187","12.147","0.002","12.958","0.002","14.044","0.003","75.832","0.003","67.388","0.003","74.135","0.003","1938.5","0.6","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C80 H56 Cl2 Cu2 Ir2 N12 O4 -","- C80 H56 Cl2 Cu2 Ir2 N12 O4 -","- C80 H56 Cl2 Cu2 Ir2 N12 O4 -","1","0.5","","Chandrasekhar, Vadapalli; Mahanti, Bani; Pandey, Mrituanjay D.; Narayanan, R. Suriya","Cyclometalated Ir(III) Complex as a Metalloligand and a Selective Cu(II) Sensor: Synthesis and Structural Characterization of a Heterometallic Tetranuclear Ir(III)/Cu(II) Complex.","ACS omega","2018","3","3","2786","2792","10.1021/acsomega.8b00042","","","0.71073","MoKα","","0.0455","0.0392","","","0.1048","0.1087","","","","","","1.084","","","","has coordinates","226173","2020-10-21","18:00:00",""
"4516188","9.0272","0.0006","29.178","0.002","18.4176","0.0014","90","","99.641","0.002","90","","4782.6","0.6","130","2","130.01","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C112 H124 Ir2 N10 O4 -","- C108 H123.58 Ir2 N10 O5.79 -","- C216 H247.16 Ir4 N20 O11.58 -","2","1","","Huckaba, Aron J.; Senes, Alessia; Aghazada, Sadig; Babaei, Azin; Meskers, Stefan C. J.; Zimmermann, Iwan; Schouwink, Pascal; Gasilova, Natalia; Janssen, René A J; Bolink, Henk J.; Nazeeruddin, Mohammad Khaja","Bis(arylimidazole) Iridium Picolinate Emitters and Preferential Dipole Orientation in Films.","ACS omega","2018","3","3","2673","2682","10.1021/acsomega.8b00137","","","0.71073","MoKα","","0.0563","0.0532","","","0.1042","0.1056","","","","","","1.249","","","","has coordinates","226174","2020-10-21","18:00:00",""
"4516189","18.644","0.003","8.9321","0.0013","25.915","0.004","90","","96.994","0.005","90","","4283.5","1.1","99.69","","99.69","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C49 H52 Ir N5 O2 -","- C49 H52 Ir N5 O2 -","- C196 H208 Ir4 N20 O8 -","4","1","","Huckaba, Aron J.; Senes, Alessia; Aghazada, Sadig; Babaei, Azin; Meskers, Stefan C. J.; Zimmermann, Iwan; Schouwink, Pascal; Gasilova, Natalia; Janssen, René A J; Bolink, Henk J.; Nazeeruddin, Mohammad Khaja","Bis(arylimidazole) Iridium Picolinate Emitters and Preferential Dipole Orientation in Films.","ACS omega","2018","3","3","2673","2682","10.1021/acsomega.8b00137","","","0.71073","MoKα","","0.0754","0.0622","","","0.1593","0.1695","","","","","","1.158","","","","has coordinates","226175","2020-10-21","18:00:00",""
"4516190","19.025","0.011","9.09","0.005","25.534","0.013","90","","96.237","0.013","90","","4390","4","293","2","293.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C98 H104 Ir2 N10 O7 -","- C98 H106 Ir2 N10 O7 -","- C196 H212 Ir4 N20 O14 -","2","0.5","","Huckaba, Aron J.; Senes, Alessia; Aghazada, Sadig; Babaei, Azin; Meskers, Stefan C. J.; Zimmermann, Iwan; Schouwink, Pascal; Gasilova, Natalia; Janssen, René A J; Bolink, Henk J.; Nazeeruddin, Mohammad Khaja","Bis(arylimidazole) Iridium Picolinate Emitters and Preferential Dipole Orientation in Films.","ACS omega","2018","3","3","2673","2682","10.1021/acsomega.8b00137","","","0.71073","MoKα","","0.0824","0.0576","","","0.1096","0.1195","","","","","","1.104","","","","has coordinates","226176","2020-10-21","18:00:00",""
"4516191","10.914","0.0015","11.6724","0.0017","9.8263","0.0015","90","","106.975","0.006","90","","1197.3","0.3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H11 Cl N2 -","- C14 H11 Cl N2 -","- C56 H44 Cl4 N8 -","4","1","","Dey, Amrita; Singsardar, Mukta; Sarkar, Rajib; Hajra, Alakananda","Environment-Friendly Protocol for the Chlorination of Imidazoheterocycles by Chloramine-T.","ACS omega","2018","3","3","3513","3521","10.1021/acsomega.7b01844","","","0.71073","MoKα","","0.0959","0.056","","","0.1356","0.1689","","","","","","0.848","","","","has coordinates","226177","2020-10-21","18:00:00",""
"4516192","13.101","0.0017","17.775","0.002","21.174","0.003","90","","93.628","0.005","90","","4920.9","1.1","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Co5POM","Na10[WCo3(H2O)2(CoW9O34)2]","","- Co2.44 Na9 O54 W9.56 -","- Co2.443 Na9 O54 W9.557 -","- Co9.772 Na36 O216 W38.228 -","4","1","","Thakur, Neha; Das Adhikary, Subhasis; Kumar, Mukesh; Mehta, Daisy; Padhan, Anil K.; Mandal, Debaprasad; Nagaiah, Tharamani C.","Ultrasensitive and Highly Selective Electrochemical Detection of Dopamine Using Poly(ionic liquids)-Cobalt Polyoxometalate/CNT Composite.","ACS omega","2018","3","3","2966","2973","10.1021/acsomega.7b02049","","","0.71073","MoKα","","0.0505","0.0384","","","0.0743","0.078","","","","","","1.152","","","","has coordinates,has disorder","226178","2020-10-21","18:00:00",""
"4516193","9.163","0.008","8.368","0.008","24.984","0.016","90","","97.39","0.02","90","","1900","3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H26 N2 O -","- C22 H26 N2 O -","- C88 H104 N8 O4 -","4","1","","Sheng, Lan; Chen, Qiaonan; Wang, Chunyu; Chen, Hongwei; Zhang, Ting; Qin, Tianyou; Li, Minjie; Zhang, Jinyan; Ma, Jing; Zhang, Sean Xiao-An","Oxazolidine Transient Bases as Molecular Platforms for Testing Dynamic CO<sub>2</sub> Capture in Biochemical Systems.","ACS omega","2018","3","3","2883","2894","10.1021/acsomega.7b02028","","","0.71073","MoKα","","0.1657","0.1004","","","0.3007","0.3471","","","","","","1.102","","","","has coordinates","226179","2020-10-21","18:00:00",""
"4516194","21.333","0.013","7.865","0.005","11.834","0.008","90","","100.552","0.014","90","","1952","2","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H25 N3 O3 -","- C22 H25 N3 O3 -","- C88 H100 N12 O12 -","4","1","","Sheng, Lan; Chen, Qiaonan; Wang, Chunyu; Chen, Hongwei; Zhang, Ting; Qin, Tianyou; Li, Minjie; Zhang, Jinyan; Ma, Jing; Zhang, Sean Xiao-An","Oxazolidine Transient Bases as Molecular Platforms for Testing Dynamic CO<sub>2</sub> Capture in Biochemical Systems.","ACS omega","2018","3","3","2883","2894","10.1021/acsomega.7b02028","","","0.71073","MoKα","","0.1497","0.1103","","","0.3092","0.3416","","","","","","1.016","","","","has coordinates","226180","2020-10-21","18:00:00",""
"4516195","23.398","0.003","7.4277","0.001","12.2111","0.0014","90","","92.075","0.004","90","","2120.8","0.5","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H28 N2 O3 S -","- C23 H28 N2 O3 S -","- C92 H112 N8 O12 S4 -","4","1","","Sheng, Lan; Chen, Qiaonan; Wang, Chunyu; Chen, Hongwei; Zhang, Ting; Qin, Tianyou; Li, Minjie; Zhang, Jinyan; Ma, Jing; Zhang, Sean Xiao-An","Oxazolidine Transient Bases as Molecular Platforms for Testing Dynamic CO<sub>2</sub> Capture in Biochemical Systems.","ACS omega","2018","3","3","2883","2894","10.1021/acsomega.7b02028","","","0.71073","MoKα","","0.1076","0.0536","","","0.1227","0.1646","","","","","","0.983","","","","has coordinates","226181","2020-10-21","18:00:00",""
"4516951","9.044","0.003","13.524","0.003","20.436","0.005","90","","90","","90","","2499.5","1.2","173","2","173","2","","","","","","","synthesis as described","6","P 21 21 21","P 2ac 2ab","19","","","","- C29 H30 Cl N O Ru -","- C29 H30 Cl N O Ru -","- C116 H120 Cl4 N4 O4 Ru4 -","4","1","","Brunner, Henri; Balázs, Gábor; Tsuno, Takashi; Iwabe, Haruka","PPh<sub>3</sub> Propeller Diastereomers: Bonding Motif Ph<sub>PPh<sub>3</sub></sub> Face-On π-Ar in Half-Sandwich Compounds [(π-Ar)LL'MPPh<sub>3</sub>].","ACS omega","2018","3","1","982","990","10.1021/acsomega.7b01460","","","0.71073","MoKα","","0.0335","0.0325","","","0.0875","0.0885","","","","","","1.065","","","","has coordinates","239648","2020-10-21","18:00:00",""
"4516952","10.5006","0.0001","17.8634","0.0001","34.4468","0.0001","90","","98.1","0.001","90","","6396.95","0.07","110","0.02","110","0.1","","","","","","","synthesis as described","7","P 1 21 1","P 2yb","4","","","","- C47 H45 F6 N O P2 Ru -","- C47 H45 F6 N O P2 Ru -","- C282 H270 F36 N6 O6 P12 Ru6 -","6","3","","Brunner, Henri; Balázs, Gábor; Tsuno, Takashi; Iwabe, Haruka","PPh<sub>3</sub> Propeller Diastereomers: Bonding Motif Ph<sub>PPh<sub>3</sub></sub> Face-On π-Ar in Half-Sandwich Compounds [(π-Ar)LL'MPPh<sub>3</sub>].","ACS omega","2018","3","1","982","990","10.1021/acsomega.7b01460","","x-ray","1.54178","CuKα","","0.0427","0.0414","","","0.1086","0.11","","","","","","1.012","","","","has coordinates","252051","2020-10-21","18:00:00",""
"4516953","10.429","0.003","16.431","0.005","14.06","0.005","90","","98.59","0.014","90","","2382.3","1.3","173","2","173","2","","","","","","","synthesis as described","8","P 1 21 1","P 2yb","4","","","","- C49 H49 Cl4 F6 N O P2 Ru -","- C49 H49 Cl4 F6 N O P2 Ru -","- C98 H98 Cl8 F12 N2 O2 P4 Ru2 -","2","1","","Brunner, Henri; Balázs, Gábor; Tsuno, Takashi; Iwabe, Haruka","PPh<sub>3</sub> Propeller Diastereomers: Bonding Motif Ph<sub>PPh<sub>3</sub></sub> Face-On π-Ar in Half-Sandwich Compounds [(π-Ar)LL'MPPh<sub>3</sub>].","ACS omega","2018","3","1","982","990","10.1021/acsomega.7b01460","","","0.71073","MoKα","","0.06","0.0561","","","0.1479","0.1519","","","","","","1.057","","","","has coordinates","239648","2020-10-21","18:00:00",""