# Search results of SQL query from the Crystallography Open Database # Date and time performed: 2024-05-17T22:12:20+02:00 # Query: # SELECT data.* # FROM # data JOIN jaltnames # ON altname = journal # WHERE # (status is null or status != 'retracted') and # (journal_id IN (SELECT DISTINCT(journal_id) FROM jaltnames WHERE altname LIKE 'CrystEngComm') AND volume = 8 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 "7203100","6.9095","0.0005","10.2699","0.0007","16.4105","0.0011","90","","90","","90","","1164.49","0.14","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H13 N3 O3 -","- C11 H13 N3 O3 -","- C44 H52 N12 O12 -","4","1","","Goswami, Shyamaprosad; Jana, Subrata; Hazra, Anita; Fun, Hoong-Kun; Anjum, Shazia; Atta-ur-Rahman","Recognition of creatinine by weak aromatic acids in solid phase along with their supramolecular network","CrystEngComm","2006","8","9","712","718","10.1039/b609202k","","","0.71073","MoKα","","0.0473","0.0468","","","0.1258","0.1267","","","","","","1.057","","","","has coordinates","202017","2020-10-21","18:00:00","" "7203101","7.6782","0.001","12.4991","0.0016","12.4268","0.0016","90","","101.005","0.002","90","","1170.7","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C11 H13 N3 O4 -","- C11 H13 N3 O4 -","- C44 H52 N12 O16 -","4","1","","Goswami, Shyamaprosad; Jana, Subrata; Hazra, Anita; Fun, Hoong-Kun; Anjum, Shazia; Atta-ur-Rahman","Recognition of creatinine by weak aromatic acids in solid phase along with their supramolecular network","CrystEngComm","2006","8","9","712","718","10.1039/b609202k","","","0.71073","MoKα","","0.0449","0.0391","","","0.101","0.1066","","","","","","1.068","","","","has coordinates","202017","2020-10-21","18:00:00","" "7203102","12.1682","0.0019","5.045","0.0008","12.494","0.002","90","","108.948","0.002","90","","725.4","0.2","273","2","273","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C4 H11 N3 O3 -","- C4 H11 N3 O3 -","- C16 H44 N12 O12 -","4","1","","Goswami, Shyamaprosad; Jana, Subrata; Hazra, Anita; Fun, Hoong-Kun; Anjum, Shazia; Atta-ur-Rahman","Recognition of creatinine by weak aromatic acids in solid phase along with their supramolecular network","CrystEngComm","2006","8","9","712","718","10.1039/b609202k","","","0.71073","MoKα","","0.0386","0.0375","","","0.1081","0.1102","","","","","","1.068","","","","has coordinates","202017","2020-10-21","18:00:00","" "7203127","7.2325","0.0014","5.0006","0.0005","17.966","0.003","90","","96.189","0.003","90","","645.99","0.18","150","1","150","1","","","","","","","","4","P 1 21 1","P 2yb","4","(S,S)-(-)-tetramethylene bis(3,3,3-trifluorolactate)","","","- C10 H12 F6 O6 -","- C10 H12 F6 O6 -","- C20 H24 F12 O12 -","2","1","","Takahashi, Satoshi; Katagiri, Toshimasa; Uneyama, Kenji","Nanoporous organic layered crystals of double-headed bis(trifluorolactate)s. Hydrogen-bonded systematic crystal structures controlled by the symmetries of molecular components","CrystEngComm","2006","8","2","132","","10.1039/b512051a","","","0.71069","MoKα","","0.0447","0.0421","","","0.1123","0.1142","","","","","","1.057","","","","has coordinates","202017","2020-10-21","18:00:00","" "7203128","18.816","0.003","5.1374","0.0006","7.7556","0.001","90","","96.202","0.002","90","","745.31","0.18","296","2","296","2","","","","","","","","4","C 1 2 1","C 2y","5","(S,S)-(-)-pentamethylene bis(3,3,3-trifluorolactate)","","","- C11 H14 F6 O6 -","- C11 H14 F6 O6 -","- C22 H28 F12 O12 -","2","0.5","","Takahashi, Satoshi; Katagiri, Toshimasa; Uneyama, Kenji","Nanoporous organic layered crystals of double-headed bis(trifluorolactate)s. Hydrogen-bonded systematic crystal structures controlled by the symmetries of molecular components","CrystEngComm","2006","8","2","132","","10.1039/b512051a","","","0.71069","MoKα","","0.0879","0.0615","","","0.1641","0.1833","","","","","","1.087","","","","has coordinates","176453","2020-10-21","18:00:00","" "7203129","19.7519","0.0012","5.0738","0.0002","7.8915","0.0005","90","","90","","90","","790.86","0.08","120","1","120","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","(S,S)-(-)-hexamethylene bis(3,3,3-trifluorolactate)","","","- C12 H16 F6 O6 -","- C12 H16 F6 O6 -","- C24 H32 F12 O12 -","2","0.5","","Takahashi, Satoshi; Katagiri, Toshimasa; Uneyama, Kenji","Nanoporous organic layered crystals of double-headed bis(trifluorolactate)s. Hydrogen-bonded systematic crystal structures controlled by the symmetries of molecular components","CrystEngComm","2006","8","2","132","","10.1039/b512051a","","","0.71069","MoKα","","0.0353","0.0343","","","0.0923","0.0931","","","","","","1.075","","","","has coordinates","176453","2020-10-21","18:00:00","" "7203130","20.812","0.0011","5.1279","0.0001","7.9655","0.0004","90","","96.279","0.001","90","","844.99","0.06","296","2","296","2","","","","","","","","4","C 1 2 1","C 2y","5","(S,S)-(-)-heptamethylene bis(3,3,3-trifluorolactate)","","","- C13 H18 F6 O6 -","- C13.008 H18.016 F6 O6 -","- C26.016 H36.032 F12 O12 -","2","0.5","","Takahashi, Satoshi; Katagiri, Toshimasa; Uneyama, Kenji","Nanoporous organic layered crystals of double-headed bis(trifluorolactate)s. Hydrogen-bonded systematic crystal structures controlled by the symmetries of molecular components","CrystEngComm","2006","8","2","132","","10.1039/b512051a","","","0.71069","MoKα","","0.0288","0.0278","","","0.0691","0.0697","","","","","","1.066","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00","" "7203131","22.9706","0.0005","5.146","0.0001","8.0376","0.0002","90","","90","","90","","950.1","0.04","150","1","150","1","","","","","","","","4","P 21 21 2","P 2 2ab","18","(S,S)-(-)-octamethylene bis(3,3,3-trifluorolactate)","","","- C14 H20 F6 O6 -","- C14 H20 F6 O6 -","- C28 H40 F12 O12 -","2","0.5","","Takahashi, Satoshi; Katagiri, Toshimasa; Uneyama, Kenji","Nanoporous organic layered crystals of double-headed bis(trifluorolactate)s. Hydrogen-bonded systematic crystal structures controlled by the symmetries of molecular components","CrystEngComm","2006","8","2","132","","10.1039/b512051a","","","0.71069","MoKα","","0.0511","0.0441","","","0.0969","0.0991","","","","","","1.217","","","","has coordinates","180362","2020-10-21","18:00:00","" "7203132","27.753","0.011","4.9906","0.001","7.992","0.003","90","","95.942","0.005","90","","1101","0.6","150","1","150","1","","","","","","","","4","C 1 2 1","C 2y","5","(S,S)-(-)-nonamethylene bis(3,3,3-trifluorolactate) octane solvate","","","- C17.24 H27.04 F6 O6 -","- C15 H22 F6 O6 -","- C30 H44 F12 O12 -","2","0.5","","Takahashi, Satoshi; Katagiri, Toshimasa; Uneyama, Kenji","Nanoporous organic layered crystals of double-headed bis(trifluorolactate)s. Hydrogen-bonded systematic crystal structures controlled by the symmetries of molecular components","CrystEngComm","2006","8","2","132","","10.1039/b512051a","","","0.71069","MoKα","","0.0525","0.0496","","","0.1437","0.1481","","","","","","1.096","","","","has coordinates","180362","2020-10-21","18:00:00","" "7203133","28.6832","0.0008","5.0572","0.0001","7.9245","0.0003","90","","90","","90","","1149.5","0.06","100","1","100","1","","","","","","","","4","P 21 21 2","P 2 2ab","18","(S,S)-(-)-decamethylene bis(3,3,3-trifluorolactate) hexane ether mixed solvate","","","- C18.12 H29 F6 O6.08 -","- C16 H24 F6 O6 -","- C32 H48 F12 O12 -","2","0.5","","Takahashi, Satoshi; Katagiri, Toshimasa; Uneyama, Kenji","Nanoporous organic layered crystals of double-headed bis(trifluorolactate)s. Hydrogen-bonded systematic crystal structures controlled by the symmetries of molecular components","CrystEngComm","2006","8","2","132","","10.1039/b512051a","","","0.71069","MoKα","","0.0379","0.0361","","","0.0941","0.0949","","","","","","1.121","","","","has coordinates","180362","2020-10-21","18:00:00","" "7203139","9.7269","0.0008","8.6585","0.0007","24.853","0.002","90","","100.872","0.002","90","","2055.6","0.3","223","2","223","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C36 H54 N2 O4 P2 S4 Zn -","- C36 H54 N2 O4 P2 S4 Zn -","- C72 H108 N4 O8 P4 S8 Zn2 -","2","1","","Chen, Danlin; Lai, Chian Sing; Tiekink, Edward R. T.","Supramolecular aggregation in diimine adducts of zinc(ii) dithiophosphates: controlling the formation of monomeric, dimeric, polymeric (zig-zag and helical), and 2-D motifs","CrystEngComm","2006","8","1","51","","10.1039/b513393a","","","0.71069","MoKα","","0.1","0.078","","","0.209","0.223","","","","","","1.08","","","","has coordinates","180362","2020-10-21","18:00:00","" "7203140","7.8735","0.0008","17.7046","0.0015","20.0325","0.0019","90","","90.638","0.002","90","","2792.3","0.5","223","2","223","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C36 H66 N2 O8 P4 S8 Zn2 -","- C36 H66 N2 O8 P4 S8 Zn2 -","- C72 H132 N4 O16 P8 S16 Zn4 -","2","0.5","","Chen, Danlin; Lai, Chian Sing; Tiekink, Edward R. T.","Supramolecular aggregation in diimine adducts of zinc(ii) dithiophosphates: controlling the formation of monomeric, dimeric, polymeric (zig-zag and helical), and 2-D motifs","CrystEngComm","2006","8","1","51","","10.1039/b513393a","","","0.71069","MoKα","","0.079","0.047","","","0.1","0.113","","","","","","1.01","","","","has coordinates","180362","2020-10-21","18:00:00","" "7203141","8.3237","0.0014","11.2642","0.0019","14.95","0.004","77.797","0.003","73.836","0.003","68.317","0.003","1241.8","0.4","223","2","223","2","","","","","","","","7","P -1","-P 1","2","","","","- C14 H30 N O4 P2 S4 Zn -","- C14 H30 N O4 P2 S4 Zn -","- C28 H60 N2 O8 P4 S8 Zn2 -","2","1","","Chen, Danlin; Lai, Chian Sing; Tiekink, Edward R. T.","Supramolecular aggregation in diimine adducts of zinc(ii) dithiophosphates: controlling the formation of monomeric, dimeric, polymeric (zig-zag and helical), and 2-D motifs","CrystEngComm","2006","8","1","51","","10.1039/b513393a","","","0.71069","MoKα","","0.101","0.065","","","0.165","0.191","","","","","","1.02","","","","has coordinates","180362","2020-10-21","18:00:00","" "7203142","21.988","0.005","35.283","0.007","17.564","0.003","90","","90","","90","","13626","5","223","2","223","2","","","","","","","","7","C c c a :2","-C 2a 2ac","68","","","","- C22 H36 N2 O4 P2 S6 Zn -","- C22 H36 N2 O4 P2 S6 Zn -","- C352 H576 N32 O64 P32 S96 Zn16 -","16","1","","Chen, Danlin; Lai, Chian Sing; Tiekink, Edward R. T.","Supramolecular aggregation in diimine adducts of zinc(ii) dithiophosphates: controlling the formation of monomeric, dimeric, polymeric (zig-zag and helical), and 2-D motifs","CrystEngComm","2006","8","1","51","","10.1039/b513393a","","","0.71069","MoKα","","0.212","0.108","","","0.324","0.39","","","","","","1.14","","","","has coordinates,has disorder","180362","2020-10-21","18:00:00","" "7203143","18.5675","0.0006","23.9914","0.0007","16.1405","0.0005","90","","103.262","0.001","90","","6998.2","0.4","223","2","223","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C25 H42 N2 O4 P2 S4 Zn -","- C25 H42 N2 O4 P2 S4 Zn -","- C200 H336 N16 O32 P16 S32 Zn8 -","8","2","","Chen, Danlin; Lai, Chian Sing; Tiekink, Edward R. T.","Supramolecular aggregation in diimine adducts of zinc(ii) dithiophosphates: controlling the formation of monomeric, dimeric, polymeric (zig-zag and helical), and 2-D motifs","CrystEngComm","2006","8","1","51","","10.1039/b513393a","","","0.71069","MoKα","","0.124","0.074","","","0.192","0.223","","","","","","1.06","","","","has coordinates,has disorder","180362","2020-10-21","18:00:00","" "7203144","12.1969","0.0007","8.3847","0.0005","15.5757","0.001","90","","95.676","0.002","90","","1585.08","0.17","223","2","223","2","","","","","","","","7","P 1 c 1","P -2yc","7","","","","- C22 H37 N3 O4 P2 S4 Zn -","- C22 H37 N3 O4 P2 S4 Zn -","- C44 H74 N6 O8 P4 S8 Zn2 -","2","1","","Chen, Danlin; Lai, Chian Sing; Tiekink, Edward R. T.","Supramolecular aggregation in diimine adducts of zinc(ii) dithiophosphates: controlling the formation of monomeric, dimeric, polymeric (zig-zag and helical), and 2-D motifs","CrystEngComm","2006","8","1","51","","10.1039/b513393a","","","0.71069","MoKα","","0.065","0.051","","","0.118","0.128","","","","","","1.01","","","","has coordinates,has disorder","180362","2020-10-21","18:00:00","" "7203149","25.078","0.002","25.078","0.002","25.078","0.002","90","","90","","90","","15772","2","123","2","123","2","","","","","","","","4","P a -3","-P 2ac 2ab 3","205","","","","- C23 H26 N2 O -","- C23.005 H26.01 N2.0025 O -","- C736.16 H832.32 N64.08 O32 -","32","1.33333","","Bacchi, Alessia; Bosetti, Elsa; Carcelli, Mauro; Pelagatti, Paolo; Pelizzi, Giancarlo; Rogolino, Dominga","Triarylcarbinol derivatives barter intermolecular interactions to accommodate substituents and create polymorphs","CrystEngComm","2006","8","3","233","","10.1039/b513876k","","","1.54138","CuKα","","0.2378","0.0764","","","0.2029","0.2691","","","","","","0.941","","","","has coordinates","180362","2020-10-21","18:00:00","" "7203150","10.5311","0.0008","17.575","0.001","18.449","0.001","90","","90.444","0.002","90","","3414.5","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H21 N O -","- C21 H21 N O -","- C168 H168 N8 O8 -","8","2","","Bacchi, Alessia; Bosetti, Elsa; Carcelli, Mauro; Pelagatti, Paolo; Pelizzi, Giancarlo; Rogolino, Dominga","Triarylcarbinol derivatives barter intermolecular interactions to accommodate substituents and create polymorphs","CrystEngComm","2006","8","3","233","","10.1039/b513876k","","","0.71069","MoKα","","0.0606","0.0365","","","0.09","0.1028","","","","","","1.019","","","","has coordinates","180362","2020-10-21","18:00:00","" "7203151","25.39","0.002","25.39","0.002","25.39","0.002","90","","90","","90","","16368","2","293","2","293","2","","","","","","","","4","P a -3","-P 2ac 2ab 3","205","","","","- C23 H26 N2 O -","- C23.005 H26.01 N2.0025 O -","- C736.16 H832.32 N64.08 O32 -","32","1.33333","","Bacchi, Alessia; Bosetti, Elsa; Carcelli, Mauro; Pelagatti, Paolo; Pelizzi, Giancarlo; Rogolino, Dominga","Triarylcarbinol derivatives barter intermolecular interactions to accommodate substituents and create polymorphs","CrystEngComm","2006","8","3","233","","10.1039/b513876k","","","1.54138","CuKα","","0.0944","0.0628","","","0.1851","0.219","","","","","","1.03","","","","has coordinates","180362","2020-10-21","18:00:00","" "7203152","12.087","0.004","16.628","0.005","10.264","0.008","96.19","0.06","95.7","0.06","107.22","0.03","1940.1","1.8","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H26 N2 O -","- C23 H26 N2 O -","- C92 H104 N8 O4 -","4","2","","Bacchi, Alessia; Bosetti, Elsa; Carcelli, Mauro; Pelagatti, Paolo; Pelizzi, Giancarlo; Rogolino, Dominga","Triarylcarbinol derivatives barter intermolecular interactions to accommodate substituents and create polymorphs","CrystEngComm","2006","8","3","233","","10.1039/b513876k","","","1.54138","CuKα","","0.168","0.0451","","","0.0816","0.1165","","","","","","0.715","","","","has coordinates","180362","2020-10-21","18:00:00","" "7203153","11.006","0.005","10.491","0.005","19.293","0.005","86.37","0.02","88.4","0.02","88.5","0.02","2221.6","1.6","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H31 N3 O -","- C25 H31 N3 O -","- C100 H124 N12 O4 -","4","2","","Bacchi, Alessia; Bosetti, Elsa; Carcelli, Mauro; Pelagatti, Paolo; Pelizzi, Giancarlo; Rogolino, Dominga","Triarylcarbinol derivatives barter intermolecular interactions to accommodate substituents and create polymorphs","CrystEngComm","2006","8","3","233","","10.1039/b513876k","","","1.54178","CuKα","","0.0549","0.0464","","","0.1391","0.1486","","","","","","1.06","","","","has coordinates","180362","2020-10-21","18:00:00","" "7203154","10.86","0.01","10.47","0.01","19.95","0.02","90","","99.24","0.09","90","","2239","4","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C25 H31 N3 O -","- C25 H31 N3 O -","- C100 H124 N12 O4 -","4","1","","Bacchi, Alessia; Bosetti, Elsa; Carcelli, Mauro; Pelagatti, Paolo; Pelizzi, Giancarlo; Rogolino, Dominga","Triarylcarbinol derivatives barter intermolecular interactions to accommodate substituents and create polymorphs","CrystEngComm","2006","8","3","233","","10.1039/b513876k","","","1.54178","CuKα","","0.1326","0.0964","","","0.2197","0.2601","","","","","","0.965","","","","has coordinates","202017","2020-10-21","18:00:00","" "7203155","10.67","0.07","7.76","0.01","24.24","0.03","90","","95.6","0.2","90","","1997","14","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H25 N3 O -","- C22 H25 N3 O -","- C88 H100 N12 O4 -","4","1","","Bacchi, Alessia; Bosetti, Elsa; Carcelli, Mauro; Pelagatti, Paolo; Pelizzi, Giancarlo; Rogolino, Dominga","Triarylcarbinol derivatives barter intermolecular interactions to accommodate substituents and create polymorphs","CrystEngComm","2006","8","3","233","","10.1039/b513876k","","","1.54178","CuKα","","0.3189","0.0498","","","0.0603","0.1077","","","","","","0.656","","","","has coordinates","202017","2020-10-21","18:00:00","" "7203156","16.979","0.002","7.706","0.008","31.237","0.003","90","","102.076","0.002","90","","3997","4","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C22 H25 N3 O -","- C22 H25 N3 O -","- C176 H200 N24 O8 -","8","1","","Bacchi, Alessia; Bosetti, Elsa; Carcelli, Mauro; Pelagatti, Paolo; Pelizzi, Giancarlo; Rogolino, Dominga","Triarylcarbinol derivatives barter intermolecular interactions to accommodate substituents and create polymorphs","CrystEngComm","2006","8","3","233","","10.1039/b513876k","","","0.71073","MoKα","","0.0624","0.0517","","","0.1514","0.1579","","","","","","1.103","","","","has coordinates","202017","2020-10-21","18:00:00","" "7203157","7.759","0.009","18.66","0.02","6.57","0.005","96.2","0.1","97.72","0.09","96.1","0.1","930","1.7","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H25 N3 O -","- C22 H25 N3 O -","- C44 H50 N6 O2 -","2","1","","Bacchi, Alessia; Bosetti, Elsa; Carcelli, Mauro; Pelagatti, Paolo; Pelizzi, Giancarlo; Rogolino, Dominga","Triarylcarbinol derivatives barter intermolecular interactions to accommodate substituents and create polymorphs","CrystEngComm","2006","8","3","233","","10.1039/b513876k","","","1.54178","CuKα","","0.2543","0.107","","","0.2762","0.3649","","","","","","0.799","","","","has coordinates","202017","2020-10-21","18:00:00","" "7203163","7.5255","0.001","12.0556","0.0015","18.597","0.002","90","","96.238","0.01","90","","1677.2","0.4","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","brucinium N-tert-Butoxycarbonyl-L-prolinate ethanol solvate hydrate","brucinium N-tert-Butoxycarbonyl-L-prolinate ethanol solvate hydrate","","- C35 H51 N3 O10 -","- C35 H51 N3 O10 -","- C70 H102 N6 O20 -","2","1","","Białońska, Agata; Ciunik, Zbigniew","When in the presence of the strong hydrogen bonds, the weak hydrogen bonds gain an importance","CrystEngComm","2006","8","1","66","","10.1039/b515365d","","","0.71073","MoKα","","0.047","0.0391","","","0.0859","0.0899","","","","","","1.022","","","","has coordinates","202017","2020-10-21","18:00:00","" "7203164","8.2334","0.0014","12.283","0.002","33.625","0.005","90","","90","","90","","3400.5","0.9","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","brucinium hydrogen N-benzoyl-D-aspartate tetrahydrate","","- C34 H45 N3 O13 -","- C34 H45 N3 O13 -","- C136 H180 N12 O52 -","4","1","","Białońska, Agata; Ciunik, Zbigniew","When in the presence of the strong hydrogen bonds, the weak hydrogen bonds gain an importance","CrystEngComm","2006","8","1","66","","10.1039/b515365d","","","0.71073","MoKα","","0.1192","0.0776","","","0.1642","0.1882","","","","","","1.052","","","","has coordinates","202017","2020-10-21","18:00:00","" "7203165","7.8711","0.0008","12.4649","0.0012","33.044","0.003","90","","90","","90","","3242","0.5","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","brucinium N-benzoyl-D-asparaginate trihydrate","","- C34 H44 N4 O11 -","- C34 H44 N4 O11 -","- C136 H176 N16 O44 -","4","1","","Białońska, Agata; Ciunik, Zbigniew","When in the presence of the strong hydrogen bonds, the weak hydrogen bonds gain an importance","CrystEngComm","2006","8","1","66","","10.1039/b515365d","","","0.71073","MoKα","","0.1489","0.0583","","","0.0722","0.0867","","","","","","1.005","","","","has coordinates,has disorder","180362","2020-10-21","18:00:00","" "7203166","13.611","0.002","12.374","0.002","20.458","0.003","90","","93.146","0.018","90","","3440.4","0.9","100","2","100","2","","","","","","","","4","C 1 2 1","C 2y","5","","brucinium N-tert-Butoxycarbonyl-L-alaninate 2-propanol solvate hydrate","","- C34 H51 N3 O10 -","- C34 H51 N3 O10 -","- C136 H204 N12 O40 -","4","1","","Białońska, Agata; Ciunik, Zbigniew","When in the presence of the strong hydrogen bonds, the weak hydrogen bonds gain an importance","CrystEngComm","2006","8","1","66","","10.1039/b515365d","","","0.71073","MoKα","","0.0555","0.0406","","","0.0687","0.0735","","","","","","1","","","","has coordinates","202017","2020-10-21","18:00:00","" "7203167","5.028","0.002","9.68","0.004","5.246","0.002","90","","118.522","0.007","90","","224.34","0.16","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C2 H5 Cl N2 -","- C2 H5 Cl N2 -","- C4 H10 Cl2 N4 -","2","1","","Wishkerman, Sara; Bernstein, Joel","Characterization of the polymorphs of aminoacetonitrile hydrochloride and crystal structure of the stable polymorph","CrystEngComm","2006","8","3","245","","10.1039/b515447b","","","0.71073","MoKα","","0.0377","0.037","","","0.0874","0.0883","","","","","","1.284","","","","has coordinates","202017","2020-10-21","18:00:00","" "7203168","13.1537","0.0015","28.617","0.003","10.365","0.0011","90","","90","","90","","3901.6","0.7","293","2","293","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C18 H22 Co N2 O8 -","- C18 H22 Co N2 O8 -","- C144 H176 Co8 N16 O64 -","8","0.5","","Covelo, Berta; Carballo, Rosa; Vázquez-López, Ezequiel M.; García-Martínez, Emilia; Castiñeiras, Alfonso; Balboa, Susana; Niclós, Juan","Supramolecular architectures of neutral and cationic complexes of transition metals with lactate and 1,10-phenanthroline","CrystEngComm","2006","8","2","167","","10.1039/b515539h","","","0.71073","MoKα","","0.1026","0.0432","","","0.0642","0.0747","","","","","","0.856","","","","has coordinates","180362","2020-10-21","18:00:00","" "7203169","12.6879","0.0012","27.985","0.003","10.8363","0.0011","90","","90","","90","","3847.7","0.7","293","2","293","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C18 H22 Cu N2 O8 -","- C18 H22 Cu N2 O8 -","- C144 H176 Cu8 N16 O64 -","8","0.5","","Covelo, Berta; Carballo, Rosa; Vázquez-López, Ezequiel M.; García-Martínez, Emilia; Castiñeiras, Alfonso; Balboa, Susana; Niclós, Juan","Supramolecular architectures of neutral and cationic complexes of transition metals with lactate and 1,10-phenanthroline","CrystEngComm","2006","8","2","167","","10.1039/b515539h","","","0.71073","MoKα","","0.0666","0.0404","","","0.0628","0.0681","","","","","","0.883","","","","has coordinates","180362","2020-10-21","18:00:00","" "7203170","12.88","0.003","28.401","0.006","10.376","0.002","90","","90","","90","","3795.6","1.4","293","2","293","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C18 H22 N2 O8 Zn -","- C18 H22 N2 O8 Zn -","- C144 H176 N16 O64 Zn8 -","8","0.5","","Covelo, Berta; Carballo, Rosa; Vázquez-López, Ezequiel M.; García-Martínez, Emilia; Castiñeiras, Alfonso; Balboa, Susana; Niclós, Juan","Supramolecular architectures of neutral and cationic complexes of transition metals with lactate and 1,10-phenanthroline","CrystEngComm","2006","8","2","167","","10.1039/b515539h","","","0.71073","MoKα","","0.0961","0.0414","","","0.0451","0.0531","","","","","","0.816","","","","has coordinates","180362","2020-10-21","18:00:00","" "7203171","11.325","0.002","16.241","0.003","9.881","0.002","90","","90","","90","","1817.4","0.6","293","2","293","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C18 H18 N2 O6 Zn -","- C18 H18 N2 O6 Zn -","- C72 H72 N8 O24 Zn4 -","4","1","","Covelo, Berta; Carballo, Rosa; Vázquez-López, Ezequiel M.; García-Martínez, Emilia; Castiñeiras, Alfonso; Balboa, Susana; Niclós, Juan","Supramolecular architectures of neutral and cationic complexes of transition metals with lactate and 1,10-phenanthroline","CrystEngComm","2006","8","2","167","","10.1039/b515539h","","","0.71073","MoKα","","0.0861","0.0375","","","0.0491","0.0556","","","","","","0.809","","","","has coordinates","180362","2020-10-21","18:00:00","" "7203172","7.9432","0.0007","9.6697","0.0008","22.3743","0.0019","90","","92.791","0.002","90","","1716.5","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H17 Cl Mn N2 O5 -","- C15 H17 Cl Mn N2 O5 -","- C60 H68 Cl4 Mn4 N8 O20 -","4","1","","Covelo, Berta; Carballo, Rosa; Vázquez-López, Ezequiel M.; García-Martínez, Emilia; Castiñeiras, Alfonso; Balboa, Susana; Niclós, Juan","Supramolecular architectures of neutral and cationic complexes of transition metals with lactate and 1,10-phenanthroline","CrystEngComm","2006","8","2","167","","10.1039/b515539h","","","0.71073","MoKα","","0.0631","0.0353","","","0.0724","0.0779","","","","","","0.916","","","","has coordinates","180362","2020-10-21","18:00:00","" "7203173","7.8296","0.0007","9.5624","0.0008","22.1549","0.0018","90","","93.724","0.002","90","","1655.2","0.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H17 Cl Co N2 O5 -","- C15 H17 Cl Co N2 O5 -","- C60 H68 Cl4 Co4 N8 O20 -","4","1","","Covelo, Berta; Carballo, Rosa; Vázquez-López, Ezequiel M.; García-Martínez, Emilia; Castiñeiras, Alfonso; Balboa, Susana; Niclós, Juan","Supramolecular architectures of neutral and cationic complexes of transition metals with lactate and 1,10-phenanthroline","CrystEngComm","2006","8","2","167","","10.1039/b515539h","","","0.71073","MoKα","","0.124","0.0469","","","0.0643","0.0768","","","","","","0.838","","","","has coordinates","180362","2020-10-21","18:00:00","" "7203174","7.7833","0.0007","9.5585","0.0009","22.055","0.002","90","","94.027","0.002","90","","1636.8","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H17 Cl N2 Ni O5 -","- C15 H17 Cl N2 Ni O5 -","- C60 H68 Cl4 N8 Ni4 O20 -","4","1","","Covelo, Berta; Carballo, Rosa; Vázquez-López, Ezequiel M.; García-Martínez, Emilia; Castiñeiras, Alfonso; Balboa, Susana; Niclós, Juan","Supramolecular architectures of neutral and cationic complexes of transition metals with lactate and 1,10-phenanthroline","CrystEngComm","2006","8","2","167","","10.1039/b515539h","","","0.71073","MoKα","","0.0881","0.0507","","","0.1085","0.1194","","","","","","0.95","","","","has coordinates","180362","2020-10-21","18:00:00","" "7203175","7.734","0.0008","9.6848","0.0009","22.313","0.002","90","","94.977","0.002","90","","1665","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H17 Br N2 Ni O5 -","- C15 H17 Br N2 Ni O5 -","- C60 H68 Br4 N8 Ni4 O20 -","4","1","","Covelo, Berta; Carballo, Rosa; Vázquez-López, Ezequiel M.; García-Martínez, Emilia; Castiñeiras, Alfonso; Balboa, Susana; Niclós, Juan","Supramolecular architectures of neutral and cationic complexes of transition metals with lactate and 1,10-phenanthroline","CrystEngComm","2006","8","2","167","","10.1039/b515539h","","","0.71073","MoKα","","0.1884","0.0515","","","0.0565","0.0756","","","","","","0.736","","","","has coordinates","180362","2020-10-21","18:00:00","" "7203177","5.37","0.003","6.213","0.003","12.481","0.004","90","","102.31","0.03","90","","406.8","0.3","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","4-NITROPHENYL PHOSPHORIC ACID","4-NITROPHENYL PHOSPHORIC ACID","","- C6 H6 N O6 P -","- C6 H6 N O6 P -","- C12 H12 N2 O12 P2 -","2","1","","Kuczek, Marian; Bryndal, Iwona; Lis, Tadeusz","4-Nitrophenyl phosphoric acid and its four different potassium salts: a solid state structure and kinetic study","CrystEngComm","2006","8","2","150","","10.1039/b515789g","","","0.71073","MoKα","","0.0279","0.0268","","","0.0691","0.0698","","","","","","1.072","","","","has coordinates","202017","2020-10-21","18:00:00","" "7203178","7.669","0.002","19.817","0.004","11.707","0.002","90","","102.9","0.03","90","","1734.3","0.7","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","SEMIPOTASSIUM SALT OF 4-NITROPHENYL PHOSPHORIC ACID","SEMIPOTASSIUM SALT OF 4-NITROPHENYL PHOSPHORIC ACID","","- C12 H11 K N2 O12 P2 -","- C12 H11 K N2 O12 P2 -","- C48 H44 K4 N8 O48 P8 -","4","1","","Kuczek, Marian; Bryndal, Iwona; Lis, Tadeusz","4-Nitrophenyl phosphoric acid and its four different potassium salts: a solid state structure and kinetic study","CrystEngComm","2006","8","2","150","","10.1039/b515789g","","","0.71073","MoKα","","0.0407","0.0347","","","0.0808","0.083","","","","","","1.108","","","","has coordinates","176432","2020-10-21","18:00:00","" "7203179","7.373","0.003","9.561","0.003","16.32","0.004","84.44","0.03","89.23","0.03","84.47","0.03","1139.7","0.7","100","2","100","2","","","","","","","","6","P -1","-P 1","2","POTASSIUM 4-NITROPHENYL HYDROGEN PHOSPHATE METHANOL SOLVATE","POTASSIUM 4-NITROPHENYL HYDROGEN PHOSPHATE METHANOL SOLVATE","","- C7 H9 K N O7 P -","- C7 H9 K N O7 P -","- C28 H36 K4 N4 O28 P4 -","4","2","","Kuczek, Marian; Bryndal, Iwona; Lis, Tadeusz","4-Nitrophenyl phosphoric acid and its four different potassium salts: a solid state structure and kinetic study","CrystEngComm","2006","8","2","150","","10.1039/b515789g","","","0.71073","MoKα","","0.0423","0.0339","","","0.083","0.0868","","","","","","1.08","","","","has coordinates","176432","2020-10-21","18:00:00","" "7203180","12.58","0.003","6.743","0.002","13.316","0.003","90","","93.89","0.03","90","","1127","0.5","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","POTASSIUM 4-NITROPHENYL HYDROGEN PHOSPHATE DIHYRATE","POTASSIUM 4-NITROPHENYL HYDROGEN PHOSPHATE DIHYRATE","","- C6 H9 K N O8 P -","- C6 H9 K N O8 P -","- C24 H36 K4 N4 O32 P4 -","4","1","","Kuczek, Marian; Bryndal, Iwona; Lis, Tadeusz","4-Nitrophenyl phosphoric acid and its four different potassium salts: a solid state structure and kinetic study","CrystEngComm","2006","8","2","150","","10.1039/b515789g","","","0.71073","MoKα","","0.0328","0.026","","","0.0664","0.0685","","","","","","1.124","","","","has coordinates","180362","2020-10-21","18:00:00","" "7203181","12.529","0.004","7.131","0.003","31.914","0.006","90","","90","","90","","2851.3","1.6","100","2","100","2","","","","","","","","6","P b c n","-P 2n 2ab","60","DIPOTASSIUM 4-NITROPHENYL PHOSPHATE TETRAHYDRATE","DIPOTASSIUM 4-NITROPHENYL PHOSPHATE TETRAHYDRATE","","- C6 H12 K2 N O10 P -","- C6 H12 K2 N O10 P -","- C48 H96 K16 N8 O80 P8 -","8","1","","Kuczek, Marian; Bryndal, Iwona; Lis, Tadeusz","4-Nitrophenyl phosphoric acid and its four different potassium salts: a solid state structure and kinetic study","CrystEngComm","2006","8","2","150","","10.1039/b515789g","","","0.71073","MoKα","","0.0805","0.0544","","","0.1078","0.1168","","","","","","1.109","","","","has coordinates","180362","2020-10-21","18:00:00","" "7203189","9.7931","0.0003","17.0401","0.0005","19.8613","0.0007","90","","102.479","0.001","90","","3236.06","0.18","120","2","120","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C34 H34 Au2 Cl2 N O0.5 P2 -","- C34 H34 Au2 Cl2 N O0.5 P2 -","- C136 H136 Au8 Cl8 N4 O2 P8 -","4","1","","Smith, Martin B.; Dale, Sophie H.; Coles, Simon J.; Gelbrich, Thomas; Hursthouse, Michael B.; Light, Mark E.","Isomeric dinuclear gold(i) complexes with highly functionalised ditertiary phosphines: Self-assembly of dimers, rings and 1-D polymeric chains","CrystEngComm","2006","8","2","140","","10.1039/b516023e","","","0.71073","MoKα","","0.0789","0.0445","","","0.0889","0.1006","","","","","","0.949","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00","" "7203190","10.5172","0.0002","12.311","0.0003","13.3218","0.0004","72.659","0.001","84.32","0.002","75.96","0.001","1596.62","0.07","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C33 H29 Au2 Cl2 N O3 P2 -","- C33 H29 Au2 Cl2 N O3 P2 -","- C66 H58 Au4 Cl4 N2 O6 P4 -","2","1","","Smith, Martin B.; Dale, Sophie H.; Coles, Simon J.; Gelbrich, Thomas; Hursthouse, Michael B.; Light, Mark E.","Isomeric dinuclear gold(i) complexes with highly functionalised ditertiary phosphines: Self-assembly of dimers, rings and 1-D polymeric chains","CrystEngComm","2006","8","2","140","","10.1039/b516023e","","","0.71073","MoKα","","0.0524","0.0447","","","0.1145","0.1194","","","","","","1.001","","","","has coordinates","180362","2020-10-21","18:00:00","" "7203191","9.8874","0.0002","11.2785","0.0002","13.3023","0.0003","70.929","0.001","81.604","0.001","87.168","0.001","1386.96","0.05","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H29 N O3 P2 -","- C33 H29 N O3 P2 -","- C66 H58 N2 O6 P4 -","2","1","","Smith, Martin B.; Dale, Sophie H.; Coles, Simon J.; Gelbrich, Thomas; Hursthouse, Michael B.; Light, Mark E.","Isomeric dinuclear gold(i) complexes with highly functionalised ditertiary phosphines: Self-assembly of dimers, rings and 1-D polymeric chains","CrystEngComm","2006","8","2","140","","10.1039/b516023e","","","0.71073","MoKα","","0.067","0.0498","","","0.1293","0.1404","","","","","","1.017","","","","has coordinates","202017","2020-10-21","18:00:00","" "7203192","11.2658","0.001","11.6465","0.0002","14.495","0.0002","85.708","0.001","74.044","0.001","86.088","0.001","1821.19","0.17","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C37 H39 Au2 Cl2 N O3 P2 -","- C37 H39 Au2 Cl2 N O3 P2 -","- C74 H78 Au4 Cl4 N2 O6 P4 -","2","1","","Smith, Martin B.; Dale, Sophie H.; Coles, Simon J.; Gelbrich, Thomas; Hursthouse, Michael B.; Light, Mark E.","Isomeric dinuclear gold(i) complexes with highly functionalised ditertiary phosphines: Self-assembly of dimers, rings and 1-D polymeric chains","CrystEngComm","2006","8","2","140","","10.1039/b516023e","","","0.71073","MoKα","","0.0354","0.0315","","","0.0796","0.0819","","","","","","1.027","","","","has coordinates","180362","2020-10-21","18:00:00","" "7203193","11.288","0.002","11.664","0.002","14.665","0.003","83.41","0.03","73.92","0.03","85.81","0.03","1841.3","0.7","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C37 H39 Au2 Cl2 N O4 P2 -","- C37 H40 Au2 Cl2 N O4 P2 -","- C74 H80 Au4 Cl4 N2 O8 P4 -","2","1","","Smith, Martin B.; Dale, Sophie H.; Coles, Simon J.; Gelbrich, Thomas; Hursthouse, Michael B.; Light, Mark E.","Isomeric dinuclear gold(i) complexes with highly functionalised ditertiary phosphines: Self-assembly of dimers, rings and 1-D polymeric chains","CrystEngComm","2006","8","2","140","","10.1039/b516023e","","","0.71073","MoKα","","0.0346","0.029","","","0.0683","0.0707","","","","","","1.054","","","","has coordinates,has disorder","180362","2020-10-21","18:00:00","" "7203194","10.0711","0.0002","17.7756","0.0004","19.7048","0.0005","90","","101.616","0.001","90","","3455.3","0.14","120","2","120","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C33.32 H30.28 Au2 Cl2 N O3.32 P2 -","- C33 H29 Au2 Cl2 N O3 P2 -","- C132 H116 Au8 Cl8 N4 O12 P8 -","4","1","","Smith, Martin B.; Dale, Sophie H.; Coles, Simon J.; Gelbrich, Thomas; Hursthouse, Michael B.; Light, Mark E.","Isomeric dinuclear gold(i) complexes with highly functionalised ditertiary phosphines: Self-assembly of dimers, rings and 1-D polymeric chains","CrystEngComm","2006","8","2","140","","10.1039/b516023e","","","0.71073","MoKα","","0.0723","0.0414","","","0.0688","0.0761","","","","","","1.009","","","","has coordinates","180362","2020-10-21","18:00:00","" "7203195","14.4668","0.0005","10.6327","0.0004","20.9068","0.0012","90","","95.054","0.0016","90","","3203.4","0.2","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C33 H29 Au2 Cl2 N O3 P2 -","- C33 H29 Au2 Cl2 N O3 P2 -","- C132 H116 Au8 Cl8 N4 O12 P8 -","4","1","","Smith, Martin B.; Dale, Sophie H.; Coles, Simon J.; Gelbrich, Thomas; Hursthouse, Michael B.; Light, Mark E.","Isomeric dinuclear gold(i) complexes with highly functionalised ditertiary phosphines: Self-assembly of dimers, rings and 1-D polymeric chains","CrystEngComm","2006","8","2","140","","10.1039/b516023e","","","0.71073","MoKα","","0.1616","0.0594","","","0.0874","0.0987","","","","","","1.069","","","","has coordinates","180362","2020-10-21","18:00:00","" "7203196","10.9153","0.0004","12.1624","0.0004","15.8034","0.0006","74.933","0.002","82.592","0.002","73.966","0.002","1943.37","0.12","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C33.6 H31.4 Au2 Cl2 N O3.6 P2 -","- C33 H29 Au2 Cl2 N O3 P2 -","- C66 H58 Au4 Cl4 N2 O6 P4 -","2","1","","Smith, Martin B.; Dale, Sophie H.; Coles, Simon J.; Gelbrich, Thomas; Hursthouse, Michael B.; Light, Mark E.","Isomeric dinuclear gold(i) complexes with highly functionalised ditertiary phosphines: Self-assembly of dimers, rings and 1-D polymeric chains","CrystEngComm","2006","8","2","140","","10.1039/b516023e","","","0.71073","MoKα","","0.0864","0.0665","","","0.1791","0.1889","","","","","","1.072","","","","has coordinates","176453","2020-10-21","18:00:00","" "7203197","6.3316","0.0013","12.517","0.003","33.042","0.007","90","","90","","90","","2618.7","1","293","2","293","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C34 H34 N2 O2 -","- C34 H34 N2 O2 -","- C136 H136 N8 O8 -","4","0.5","","Zeng, Qingdao; Wu, Dongxia; Ma, Hongwei; Shu, Chuying; Li, Yan; Wang, Chen","Polymeric hydrogen-bonded supramolecules by self-assembling of adamantane derivatives with bipyridines","CrystEngComm","2006","8","2","189","","10.1039/b516212b","","","0.71073","MoKα","","0.0796","0.0417","","","0.0795","0.0852","","","","","","0.901","","","","has coordinates","180362","2020-10-21","18:00:00","" "7203198","12.632","0.003","32.034","0.006","6.2215","0.0012","90","","90","","90","","2517.6","0.9","293","2","293","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C32 H32 N2 O2 S -","- C32 H32 N2 O2 S -","- C128 H128 N8 O8 S4 -","4","0.5","","Zeng, Qingdao; Wu, Dongxia; Ma, Hongwei; Shu, Chuying; Li, Yan; Wang, Chen","Polymeric hydrogen-bonded supramolecules by self-assembling of adamantane derivatives with bipyridines","CrystEngComm","2006","8","2","189","","10.1039/b516212b","","","0.71073","MoKα","","0.1351","0.0433","","","0.0634","0.0769","","","","","","0.826","","","","has coordinates","180362","2020-10-21","18:00:00","" "7203199","18.823","0.004","10.157","0.002","13.869","0.003","90","","100.44","0.03","90","","2607.7","1","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C32 H32 N2 O4 -","- C32 H32 N2 O4 -","- C128 H128 N8 O16 -","4","1","","Zeng, Qingdao; Wu, Dongxia; Ma, Hongwei; Shu, Chuying; Li, Yan; Wang, Chen","Polymeric hydrogen-bonded supramolecules by self-assembling of adamantane derivatives with bipyridines","CrystEngComm","2006","8","2","189","","10.1039/b516212b","","","0.71073","MoKα","","0.098","0.0408","","","0.071","0.0772","","","","","","0.931","","","","has coordinates","180362","2020-10-21","18:00:00","" "7203200","12.525","0.003","12.772","0.003","26.458","0.005","90","","90","","90","","4232.5","1.6","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C24 H26 N2 O4 -","- C24 H26 N2 O4 -","- C192 H208 N16 O32 -","8","1","","Zeng, Qingdao; Wu, Dongxia; Ma, Hongwei; Shu, Chuying; Li, Yan; Wang, Chen","Polymeric hydrogen-bonded supramolecules by self-assembling of adamantane derivatives with bipyridines","CrystEngComm","2006","8","2","189","","10.1039/b516212b","","","0.71073","MoKα","","0.186","0.0664","","","0.163","0.1846","","","","","","1.032","","","","has coordinates","180363","2020-10-21","18:00:00","" "7203201","9.3034","0.0019","10.198","0.002","10.295","0.002","60.47","0.03","76.13","0.03","72.88","0.03","806.9","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C36 H44 N2 O8 -","- C36 H44 N2 O8 -","- C36 H44 N2 O8 -","1","0.5","","Zeng, Qingdao; Wu, Dongxia; Ma, Hongwei; Shu, Chuying; Li, Yan; Wang, Chen","Polymeric hydrogen-bonded supramolecules by self-assembling of adamantane derivatives with bipyridines","CrystEngComm","2006","8","2","189","","10.1039/b516212b","","","0.71073","MoKα","","0.1198","0.0795","","","0.1884","0.2142","","","","","","1.026","","","","has coordinates","180363","2020-10-21","18:00:00","" "7203202","11.764","0.002","15.841","0.003","12.322","0.003","90","","113.9","0.03","90","","2099.4","0.9","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H24 N2 O4 S2 -","- C22 H24 N2 O4 S2 -","- C88 H96 N8 O16 S8 -","4","1","","Zeng, Qingdao; Wu, Dongxia; Ma, Hongwei; Shu, Chuying; Li, Yan; Wang, Chen","Polymeric hydrogen-bonded supramolecules by self-assembling of adamantane derivatives with bipyridines","CrystEngComm","2006","8","2","189","","10.1039/b516212b","","","0.71073","MoKα","","0.0541","0.0406","","","0.1059","0.1115","","","","","","1.022","","","","has coordinates","180363","2020-10-21","18:00:00","" "7203203","8.5551","0.0017","11.84","0.002","12.496","0.003","106.27","0.03","104.97","0.03","98.65","0.03","1139.5","0.5","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H30 N2 O4 -","- C26 H30 N2 O4 -","- C52 H60 N4 O8 -","2","1","","Zeng, Qingdao; Wu, Dongxia; Ma, Hongwei; Shu, Chuying; Li, Yan; Wang, Chen","Polymeric hydrogen-bonded supramolecules by self-assembling of adamantane derivatives with bipyridines","CrystEngComm","2006","8","2","189","","10.1039/b516212b","","","0.71073","MoKα","","0.1132","0.0873","","","0.2538","0.2816","","","","","","1.009","","","","has coordinates","180363","2020-10-21","18:00:00","" "7203204","8.6721","0.0017","11.845","0.002","12.364","0.003","106.23","0.03","104.28","0.03","98.19","0.03","1150.8","0.5","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H32 N2 O4 -","- C26 H32 N2 O4 -","- C52 H64 N4 O8 -","2","1","","Zeng, Qingdao; Wu, Dongxia; Ma, Hongwei; Shu, Chuying; Li, Yan; Wang, Chen","Polymeric hydrogen-bonded supramolecules by self-assembling of adamantane derivatives with bipyridines","CrystEngComm","2006","8","2","189","","10.1039/b516212b","","","0.71073","MoKα","","0.1067","0.0761","","","0.1981","0.222","","","","","","1.021","","","","has coordinates","180363","2020-10-21","18:00:00","" "7203205","17.518","0.004","13.767","0.003","9.0857","0.0018","90","","91.32","0.03","90","","2190.6","0.8","120","2","120","2","","","","","","","Roberto Quesada","6","C 1 2/c 1","-C 2yc","15","","","","- C9 H21 N8 O7.5 Pt S4 -","- C9 H21 N8 O7.5 Pt S4 -","- C36 H84 N32 O30 Pt4 S16 -","4","0.5","","Gale, Philip A.; Light, Mark E.; Quesada, Roberto","Tetrakis(thiourea)platinum(ii) oxocarbodianions salts as molecular building blocks for the synthesis of hydrogen bonded networks in the solid state","CrystEngComm","2006","8","2","178","","10.1039/b516238f","","","0.71073","MoKα","","0.0508","0.0314","","","0.0604","0.0672","","","","","","1.043","","","","has coordinates","176453","2020-10-21","18:00:00","" "7203206","17.315","0.004","9.4289","0.0019","23.344","0.005","90","","107.7","0.03","90","","3630.8","1.5","120","2","120","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C17 H40 N8 O9 Pt S8 -","- C17 H40 N8 O9 Pt S8 -","- C68 H160 N32 O36 Pt4 S32 -","4","0.5","","Gale, Philip A.; Light, Mark E.; Quesada, Roberto","Tetrakis(thiourea)platinum(ii) oxocarbodianions salts as molecular building blocks for the synthesis of hydrogen bonded networks in the solid state","CrystEngComm","2006","8","2","178","","10.1039/b516238f","","","0.71073","MoKα","","0.0326","0.0254","","","0.0598","0.0633","","","","","","1.029","","","","has coordinates","180363","2020-10-21","18:00:00","" "7203207","16.3461","0.0014","10.1444","0.0006","11.143","0.0011","90","","90","","90","","1847.7","0.3","120","2","120","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C16 H40 N8 O8 Pt S8 -","- C16 H40 N8 O8 Pt S8 -","- C32 H80 N16 O16 Pt2 S16 -","2","0.5","","Gale, Philip A.; Light, Mark E.; Quesada, Roberto","Tetrakis(thiourea)platinum(ii) oxocarbodianions salts as molecular building blocks for the synthesis of hydrogen bonded networks in the solid state","CrystEngComm","2006","8","2","178","","10.1039/b516238f","","","0.71073","MoKα","","0.072","0.0538","","","0.1317","0.1429","","","","","","0.931","","","","has coordinates","180363","2020-10-21","18:00:00","" "7203208","21.1828","0.0016","14.1183","0.0013","14.4599","0.0014","90","","99.579","0.006","90","","4264.2","0.7","120","2","120","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C38 H96 Cl2 N24 O16 Pt3 S18 -","- C38 H96 Cl2 N24 O16 Pt3 S18 -","- C76 H192 Cl4 N48 O32 Pt6 S36 -","2","0.5","","Gale, Philip A.; Light, Mark E.; Quesada, Roberto","Tetrakis(thiourea)platinum(ii) oxocarbodianions salts as molecular building blocks for the synthesis of hydrogen bonded networks in the solid state","CrystEngComm","2006","8","2","178","","10.1039/b516238f","","","0.71073","MoKα","","0.0655","0.0376","","","0.0694","0.0773","","","","","","1.038","","","","has coordinates","180363","2020-10-21","18:00:00","" "7203209","8.8659","0.0009","12.7545","0.0008","11.0019","0.0015","90","","110.91","0.007","90","","1162.2","0.2","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H22 N10 O4 Pt S4 -","- C12 H22 N10 O4 Pt S4 -","- C24 H44 N20 O8 Pt2 S8 -","2","0.5","","Gale, Philip A.; Light, Mark E.; Quesada, Roberto","Tetrakis(thiourea)platinum(ii) oxocarbodianions salts as molecular building blocks for the synthesis of hydrogen bonded networks in the solid state","CrystEngComm","2006","8","2","178","","10.1039/b516238f","","","0.71073","MoKα","","0.0566","0.0301","","","0.0617","0.0708","","","","","","0.977","","","","has coordinates","180363","2020-10-21","18:00:00","" "7203210","8.9202","0.0005","13.8259","0.0006","9.1159","0.0006","90","","116.182","0.005","90","","1008.91","0.11","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C8 H20 N8 O6 Pt S4 -","- C8 H20 N8 O6 Pt S4 -","- C16 H40 N16 O12 Pt2 S8 -","2","0.5","","Gale, Philip A.; Light, Mark E.; Quesada, Roberto","Tetrakis(thiourea)platinum(ii) oxocarbodianions salts as molecular building blocks for the synthesis of hydrogen bonded networks in the solid state","CrystEngComm","2006","8","2","178","","10.1039/b516238f","","","0.71073","MoKα","","0.0198","0.0166","","","0.0357","0.0376","","","","","","1.066","","","","has coordinates","180363","2020-10-21","18:00:00","" "7203211","21.409","0.004","14.734","0.003","14.767","0.003","90","","127.24","0.03","90","","3708.4","1.9","120","2","120","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C18 H44 N8 O12 Pt S8 -","- C18 H44 N8 O12 Pt S8 -","- C72 H176 N32 O48 Pt4 S32 -","4","0.5","","Gale, Philip A.; Light, Mark E.; Quesada, Roberto","Tetrakis(thiourea)platinum(ii) oxocarbodianions salts as molecular building blocks for the synthesis of hydrogen bonded networks in the solid state","CrystEngComm","2006","8","2","178","","10.1039/b516238f","","","0.71073","MoKα","","0.048","0.028","","","0.0465","0.0516","","","","","","1.038","","","","has coordinates","180363","2020-10-21","18:00:00","" "7203212","12.4153","0.0018","12.4153","0.0018","7.3494","0.0015","90","","90","","90","","1132.8","0.3","293","2","273","","","","","","","","","5","P -4","P -4","81","1,3,5,7-tetrakis(4-Phosphonophenyl)adamantane bis-chloroform solvate tetrahydrate","1,3,5,7-tetrakis(4-Phosphonophenyl)adamantane bis-chloroform solvate tetrahydrate","","- C36 H46 Cl6 O16 P4 -","- C36 H46 Cl6 O16 P4 -","- C36 H46 Cl6 O16 P4 -","1","0.25","","Jones, Katherine M. E.; Mahmoudkhani, Amir H.; Chandler, Brett D.; Shimizu, George K. H.","An adamantane-based tetraphosphonic acid that forms an open diamondoid net via a hydrogen-bonded phosphonic acid?water cluster","CrystEngComm","2006","8","4","303","","10.1039/b516332c","","x-ray","0.71073","MoKα","","0.0556","0.0471","","","0.114","0.1236","","","","","","1.075","","","","has coordinates","180363","2020-10-21","18:00:00","" "7203214","14.034","0.01","13.205","0.017","3.699","0.008","90","","90","","90","","685.5","1.8","120","2","120","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C7 H4 N O4 -","- C7 H4 N O4 -","- C28 H16 N4 O16 -","4","1","","Grossel, Martin C.; Dwyer, Andrew N.; Hursthouse, Michael B.; Orton, James B.","Polymorphism in pyridine-2,6-dicarboxylic acid: Competition between “robust” synthons","CrystEngComm","2006","8","2","123","","10.1039/b516387k","","","0.71073","MoKα","","0.0759","0.0591","","","0.1573","0.1701","","","","","","1.039","","","","has coordinates","180363","2020-10-21","18:00:00","" "7203215","3.6579","0.0001","11.0577","0.0004","21.5478","0.001","90","","93.02","0.001","90","","870.35","0.06","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C7 H9 N O6 -","- C7 H9 N O6 -","- C28 H36 N4 O24 -","4","1","","Grossel, Martin C.; Dwyer, Andrew N.; Hursthouse, Michael B.; Orton, James B.","Polymorphism in pyridine-2,6-dicarboxylic acid: Competition between “robust” synthons","CrystEngComm","2006","8","2","123","","10.1039/b516387k","","","0.71073","MoKα","","0.0929","0.0466","","","0.0927","0.1119","","","","","","1.013","","","","has coordinates","202017","2020-10-21","18:00:00","" "7203216","5.1793","0.0002","9.476","0.0003","8.5004","0.0003","90","","94.289","0.002","90","","416.02","0.03","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C7 H6 Cl N O5 -","- C7 H6 Cl N O5 -","- C14 H12 Cl2 N2 O10 -","2","1","","Grossel, Martin C.; Dwyer, Andrew N.; Hursthouse, Michael B.; Orton, James B.","Polymorphism in pyridine-2,6-dicarboxylic acid: Competition between “robust” synthons","CrystEngComm","2006","8","2","123","","10.1039/b516387k","","","0.71073","MoKα","","0.0316","0.0294","","","0.0717","0.0735","","","","","","1.063","","","","has coordinates","202017","2020-10-21","18:00:00","" "7203220","21.348","0.003","19.231","0.003","22.047","0.003","90","","105.139","0.003","90","","8737","2","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","Fullerene [70] phenol co-crystallisate","","- C170 H30 O5 -","- C170 H25 O5 -","- C680 H100 O20 -","4","1","","Schulz-Dobrick, Martin; Panthöfer, Martin; Jansen, Martin","Crystal structure of the supramolecular adduct 2 C70·5 C6H5OH containing hydrogen-bonded rings of phenol","CrystEngComm","2006","8","2","163","","10.1039/b516427c","","x-ray","0.71073","MoKα","","0.1996","0.1243","","","0.1067","0.1241","","","","2.99","2.99","2.47","","","","has coordinates","180363","2020-10-21","18:00:00","" "7203221","12.948","0.001","7.334","0.001","13.849","0.001","90","","115.35","0.01","90","","1188.5","0.2","293","2","293","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","hexaamminecobalt(iii) dichloride selenocaynide","hexaamminecobalt(III) dichloride selenocaynide","","- C H18 Cl2 Co N7 Se -","- C H18 Cl2 Co N7 Se -","- C4 H72 Cl8 Co4 N28 Se4 -","4","0.5","","Pal Sharma, Raj; Bala, Ritu; Sharma, Rajni; Venugopalan, Paloth","‘Rings and rectangles’ mediated through weak interactions in ionic solids: Synthesis and packing analysis of [Co(NH3)6]Cl2SeCN and [Co(NH3)6]3Cl4(N3)5 in the crystalline state","CrystEngComm","2006","8","3","215","","10.1039/b516629b","","","0.71073","MoKα","","0.035","0.0328","","","0.0771","0.0785","","","","","","1.117","","","","has coordinates","180363","2020-10-21","18:00:00","" "7203222","7.115","0.001","10.121","0.002","23.154","0.004","90","","90","","90","","1667.3","0.5","293","2","293","2","","","","","","","","4","I 2 2 2","I 2 2","23","","hexaamminecobalt(III) chloride diazide","","- Cl4 Co3 H54 N33 -","- Cl4 Co3 H54 N33 -","- Cl8 Co6 H108 N66 -","2","0.25","","Pal Sharma, Raj; Bala, Ritu; Sharma, Rajni; Venugopalan, Paloth","‘Rings and rectangles’ mediated through weak interactions in ionic solids: Synthesis and packing analysis of [Co(NH3)6]Cl2SeCN and [Co(NH3)6]3Cl4(N3)5 in the crystalline state","CrystEngComm","2006","8","3","215","","10.1039/b516629b","","","0.71073","MoKα","","0.0322","0.0275","","","0.0679","0.0706","","","","","","1.076","","","","has coordinates","176453","2020-10-21","18:00:00","" "7203223","12.924","0.003","11.081","0.002","23.689","0.005","90","","90","","90","","3392.5","1.2","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","1,2-bis-(4-Fluorophenyl)-6-methoxy-1,2,3,4- tetrahydroisoquinoline","","","- C22 H19 F2 N O -","- C22 H19 F2 N O -","- C176 H152 F16 N8 O8 -","8","1","","Choudhury, Angshuman Roy; Row, Tayur N. Guru","Organic fluorine as crystal engineering tool: Evidence from packing features in fluorine substituted isoquinolines","CrystEngComm","2006","8","3","265","","10.1039/b516670e","","","0.71073","MoKα","","0.0373","0.0332","","","0.0849","0.088","","","","","","1.029","","","","has coordinates","180363","2020-10-21","18:00:00","" "7203224","10.728","0.003","8.023","0.002","39.71","0.011","90","","90","","90","","3417.9","1.6","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","1-(3-Fluorophenyl)- 2- (4-Fluorophenyl)-6-methoxy-1,2,3,4- tetrahydroisoquinoline","","","- C22 H19 F2 N O -","- C22 H19 F2 N O -","- C176 H152 F16 N8 O8 -","8","1","","Choudhury, Angshuman Roy; Row, Tayur N. Guru","Organic fluorine as crystal engineering tool: Evidence from packing features in fluorine substituted isoquinolines","CrystEngComm","2006","8","3","265","","10.1039/b516670e","","","0.71073","MoKα","","0.1118","0.0517","","","0.1017","0.1348","","","","","","1.003","","","","has coordinates","180363","2020-10-21","18:00:00","" "7203225","16.628","0.006","45.589","0.012","9.044","0.003","90","","90","","90","","6856","4","100","2","100","2","","","","","","","","5","F d d 2","F 2 -2d","43","1,2-bis-(3-Fluorophenyl)-6-methoxy-1,2,3,4- tetrahydroisoquinoline","","","- C22 H18 F2 N O -","- C22 H17 F2 N O -","- C352 H272 F32 N16 O16 -","16","1","","Choudhury, Angshuman Roy; Row, Tayur N. Guru","Organic fluorine as crystal engineering tool: Evidence from packing features in fluorine substituted isoquinolines","CrystEngComm","2006","8","3","265","","10.1039/b516670e","","","0.71073","MoKα","","0.0283","0.0276","","","0.075","0.0757","","","","","","1.054","","","","has coordinates","180363","2020-10-21","18:00:00","" "7203226","15.952","0.004","17.98","0.004","6.0391","0.0014","90","","90","","90","","1732.1","0.7","100","0.2","100","0.2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C22 H20 F N O -","- C22 H17 F N O -","- C88 H68 F4 N4 O4 -","4","1","","Choudhury, Angshuman Roy; Row, Tayur N. Guru","Organic fluorine as crystal engineering tool: Evidence from packing features in fluorine substituted isoquinolines","CrystEngComm","2006","8","3","265","","10.1039/b516670e","","","0.71073","MoKα","","0.1171","0.0842","","","0.2209","0.2455","","","","","","0.982","","","","has coordinates","180363","2020-10-21","18:00:00","" "7203227","16.1076","0.0011","9.1597","0.0006","23.6002","0.0016","90","","107.116","0.001","90","","3327.8","0.4","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H20 F N O -","- C22 H19 F N O -","- C176 H152 F8 N8 O8 -","8","1","","Choudhury, Angshuman Roy; Row, Tayur N. Guru","Organic fluorine as crystal engineering tool: Evidence from packing features in fluorine substituted isoquinolines","CrystEngComm","2006","8","3","265","","10.1039/b516670e","","","0.71073","MoKα","","0.0455","0.0413","","","0.098","0.1004","","","","","","1.098","","","","has coordinates","180363","2020-10-21","18:00:00","" "7203228","13.233","0.004","11.129","0.003","23.205","0.007","90","","90","","90","","3417.4","1.7","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C22 H20 F N O -","- C22 H20 F N O -","- C176 H160 F8 N8 O8 -","8","1","","Choudhury, Angshuman Roy; Row, Tayur N. Guru","Organic fluorine as crystal engineering tool: Evidence from packing features in fluorine substituted isoquinolines","CrystEngComm","2006","8","3","265","","10.1039/b516670e","","","0.71073","MoKα","","0.0443","0.0375","","","0.0902","0.0947","","","","","","1.031","","","","has coordinates","180363","2020-10-21","18:00:00","" "7203229","16.4791","0.0009","21.8079","0.0012","7.8598","0.0004","90","","104.85","0.03","90","","2730.3","0.5","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","2,7-Dimethoxy-5,10-bis(p-anisyl)-5,10-dihydrophenazine tricyanomethanide","","- C32 H26 N5 O4 -","- C32 H26 N5 O4 -","- C128 H104 N20 O16 -","4","0.5","","McKay, Scott E.; Wheeler, Kraig A.; Blackstock, Silas C.","A molecular salt of tricyanomethanide anion and a N,N′-dianisylphenazinium dication: cooperative affects of methoxy⋯methoxy and CN⋯N+ intermolecular contacts","CrystEngComm","2006","8","2","129","","10.1039/b516674h","","","0.71073","MoKα","","0.0833","0.0574","","","0.1461","0.1652","","","","","","1.104","","","","has coordinates","180363","2020-10-21","18:00:00","" "7203230","6.9997","0.0004","16.426","0.0009","20.3312","0.0018","90","","90","","90","","2337.6","0.3","293","2","293","2","","","","","","","","4","P c 21 b","P -2bc -2c","29","","","","- C10 H26 Na4 O20 -","- C10 H2 Na4 O20 -","- C40 H8 Na16 O80 -","4","1","","Oscar Fabelo; Laura Cañadillas-Delgado; Jorge Pasán; Catalina Ruiz-Pérez; Miguel Julve","Influence of the presence of divalent first-row transition metal ions on the structure of sodium(I) salts of 1,2,3,4-benzenetetracarboxylic acid (H4bta)","CrystEngComm","2006","8","4","338","","10.1039/b516806f","","","0.71069","MoKα","","0.0949","0.0589","","","0.1404","0.1582","","","","","","1.039","","","","has coordinates","180363","2020-10-21","18:00:00","" "7203231","7.3778","0.0004","20.1493","0.0006","10.4963","0.0004","90","","103.466","0.008","90","","1517.46","0.12","293","2","293","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C20 H28 Mn Na2 O26 -","- C20 H28 Mn Na2 O26 -","- C40 H56 Mn2 Na4 O52 -","2","0.25","","Oscar Fabelo; Laura Cañadillas-Delgado; Jorge Pasán; Catalina Ruiz-Pérez; Miguel Julve","Influence of the presence of divalent first-row transition metal ions on the structure of sodium(I) salts of 1,2,3,4-benzenetetracarboxylic acid (H4bta)","CrystEngComm","2006","8","4","338","","10.1039/b516806f","","","0.71069","MoKα","","0.0253","0.023","","","0.0629","0.0642","","","","","","1.091","","","","has coordinates","180363","2020-10-21","18:00:00","" "7203232","7.2862","0.0004","20.1165","0.0007","10.4032","0.0003","90","","103.366","0.009","90","","1483.52","0.12","293","2","293","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C20 H28 Na2 Ni O26 -","- C20 H28 Na2 Ni O26 -","- C40 H56 Na4 Ni2 O52 -","2","0.25","","Oscar Fabelo; Laura Cañadillas-Delgado; Jorge Pasán; Catalina Ruiz-Pérez; Miguel Julve","Influence of the presence of divalent first-row transition metal ions on the structure of sodium(I) salts of 1,2,3,4-benzenetetracarboxylic acid (H4bta)","CrystEngComm","2006","8","4","338","","10.1039/b516806f","","","0.71069","MoKα","","0.0486","0.0376","","","0.0812","0.0851","","","","","","1.125","","","","has coordinates","180363","2020-10-21","18:00:00","" "7203233","18.309","0.003","16.716","0.003","18.722","0.003","90","","91.812","0.003","90","","5727.1","1.7","120","2","120","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","AgBF4rev2","","","- C28 H28 Ag B F4 N4 O2 S2 -","- C28 H28 Ag B F4 N4 O2 S2 -","- C224 H224 Ag8 B8 F32 N32 O16 S16 -","8","2","","Russell, Jennifer M.; Parker, Andrew D. M.; Radosavljevic-Evans, Ivana; Howard, Judith A. K.; Steed, Jonathan W.","Anion-binding mode in a sulfanylphenyl urea complex: solid state symmetry breaking and solution chelation","CrystEngComm","2006","8","2","119","","10.1039/b516962c","","","0.71073","MoKα","","0.2219","0.1685","","","0.3604","0.3801","","","","","","1.113","","","","has coordinates","180363","2020-10-21","18:00:00","" "7203234","18.2449","0.0009","16.2679","0.0008","18.9904","0.001","90","","90","","90","","5636.5","0.5","120","","120","","","","","","","","?","6","P b c a","-P 2ac 2ab","61","","","","- C28 H28 Ag N5 O5 S2 -","- C28 H28 Ag N5 O5 S2 -","- C224 H224 Ag8 N40 O40 S16 -","8","1","","Russell, Jennifer M.; Parker, Andrew D. M.; Radosavljevic-Evans, Ivana; Howard, Judith A. K.; Steed, Jonathan W.","Anion-binding mode in a sulfanylphenyl urea complex: solid state symmetry breaking and solution chelation","CrystEngComm","2006","8","2","119","","10.1039/b516962c","","","0.71073","MoKα","","0.0621","0.0338","","0.0779","0.0752","0.0752","","","","","","0.9004","","","","has coordinates","176453","2020-10-21","18:00:00","" "7203235","9.3134","0.001","11.0006","0.0008","12.5519","0.0014","90","","97.193","0.013","90","","1275.9","0.2","153","2","153","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H6 Br F4 N -","- C15 H6 Br F4 N -","- C60 H24 Br4 F16 N4 -","4","1","","Mariaca, Raúl; Behrnd, Norwid-Rasmus; Eggli, Patrick; Stoeckli-Evans, Helen; Hulliger, Jürg","Synthesis and crystal engineering of fluorinated stilbenes","CrystEngComm","2006","8","3","222","","10.1039/b517032j","","","0.71073","MoKα","","0.0359","0.028","","","0.0673","0.0702","","","","","","0.989","","","","has coordinates","202017","2020-10-21","18:00:00","" "7203236","7.2037","0.0017","8.087","0.0018","13.661","0.003","81.226","0.018","79.789","0.018","62.434","0.016","692","0.3","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H2 Br F8 N -","- C15 H2 Br F8 N -","- C30 H4 Br2 F16 N2 -","2","1","","Mariaca, Raúl; Behrnd, Norwid-Rasmus; Eggli, Patrick; Stoeckli-Evans, Helen; Hulliger, Jürg","Synthesis and crystal engineering of fluorinated stilbenes","CrystEngComm","2006","8","3","222","","10.1039/b517032j","","","0.71073","MoKα","","0.0656","0.0479","","","0.115","0.1248","","","","","","1.003","","","","has coordinates","202017","2020-10-21","18:00:00","" "7203237","7.8616","0.001","8.3583","0.0011","10.1162","0.0014","91.004","0.011","95.029","0.011","107.029","0.01","632.49","0.15","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H6 Br F4 N -","- C15 H6 Br F4 N -","- C30 H12 Br2 F8 N2 -","2","1","","Mariaca, Raúl; Behrnd, Norwid-Rasmus; Eggli, Patrick; Stoeckli-Evans, Helen; Hulliger, Jürg","Synthesis and crystal engineering of fluorinated stilbenes","CrystEngComm","2006","8","3","222","","10.1039/b517032j","","","0.71073","MoKα","","0.0561","0.0512","","","0.1343","0.1379","","","","","","1.061","","","","has coordinates","202017","2020-10-21","18:00:00","" "7203238","9.9795","0.0013","13.3572","0.0014","16.7277","0.0019","104.434","0.009","104.567","0.009","102.171","0.009","1999","0.4","153","2","153","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H10 Br N -","- C15 H10 Br N -","- C105 H70 Br7 N7 -","7","3.5","","Mariaca, Raúl; Behrnd, Norwid-Rasmus; Eggli, Patrick; Stoeckli-Evans, Helen; Hulliger, Jürg","Synthesis and crystal engineering of fluorinated stilbenes","CrystEngComm","2006","8","3","222","","10.1039/b517032j","","","0.71073","MoKα","","0.0837","0.0641","","","0.1523","0.1638","","","","","","1.074","","","","has coordinates","180363","2020-10-21","18:00:00","" "7203239","20.976","0.007","9.346","0.0017","9.903","0.003","90","","106.98","0.02","90","","1856.8","0.9","240","2","240","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H12 Ag2 N4 O10 -","- C7 H6 Ag N2 O5 -","- C56 H48 Ag8 N16 O40 -","8","1","","Adeline Y. Robin; Jorge L. Sagué; Katharina M. Fromm","Part 1. Solubility effect on the formation of coordination polymer networks between AgNO3 and L (L = ethanediyl bis(isonicotinate) as a function of solvent","CrystEngComm","2006","8","5","403","","10.1039/b517191a","","","0.71073","MoKα","","0.0854","0.0733","","","0.1742","0.1885","","","","","","0.868","","","","has coordinates,has disorder","180363","2020-10-21","18:00:00","" "7203240","6.1591","0.0013","8.895","0.003","14.439","0.003","93.15","0.02","99.898","0.016","91.43","0.02","777.6","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H12 Ag N3 O7 -","- C14 H12 Ag N3 O7 -","- C28 H24 Ag2 N6 O14 -","2","1","","Adeline Y. Robin; Jorge L. Sagué; Katharina M. Fromm","Part 1. Solubility effect on the formation of coordination polymer networks between AgNO3 and L (L = ethanediyl bis(isonicotinate) as a function of solvent","CrystEngComm","2006","8","5","403","","10.1039/b517191a","","","0.71073","MoKα","","0.0408","0.0312","","","0.0686","0.0732","","","","","","1.07","","","","has coordinates","180363","2020-10-21","18:00:00","" "7203241","5.4567","0.0003","6.8657","0.0005","18.9798","0.0012","84.785","0.003","90.874","0.002","75.585","0.003","685.3","0.08","180","2","180","2","","","","","","","","4","P -1","-P 1","2","1:2 pyrazine/undecanoic acid","","","- C26 H48 N2 O4 -","- C26 H48 N2 O4 -","- C26 H48 N2 O4 -","1","0.5","","Bond, Andrew D.","Inversion of the melting point alternation in n-alkyl carboxylic acids by co-crystallization with pyrazine","CrystEngComm","2006","8","4","333","","10.1039/b517513e","","","0.71073","MoKα","","0.09","0.0637","","","0.1475","0.1667","","","","","","1.084","","","","has coordinates","180363","2020-10-21","18:00:00","" "7203242","5.4447","0.0002","6.9028","0.0003","20.307","0.008","89.796","0.001","88.441","0.001","75.432","0.001","738.4","0.3","180","2","180","2","","","","","","","","4","P -1","-P 1","2","1:2 pyrazine/dodecanoic acid","","","- C28 H52 N2 O4 -","- C28 H52 N2 O4 -","- C28 H52 N2 O4 -","1","0.5","","Bond, Andrew D.","Inversion of the melting point alternation in n-alkyl carboxylic acids by co-crystallization with pyrazine","CrystEngComm","2006","8","4","333","","10.1039/b517513e","","","0.71073","MoKα","","0.0639","0.0558","","","0.164","0.1724","","","","","","1.088","","","","has coordinates","180363","2020-10-21","18:00:00","" "7203243","5.4407","0.0009","6.8439","0.0011","21.498","0.004","84.694","0.003","92.957","0.003","75.574","0.003","769.6","0.2","180","2","180","2","","","","","","","","4","P -1","-P 1","2","2:1 pyrazine/tridecanoic acid","","","- C30 H56 N2 O4 -","- C30 H56 N2 O4 -","- C30 H56 N2 O4 -","1","0.5","","Bond, Andrew D.","Inversion of the melting point alternation in n-alkyl carboxylic acids by co-crystallization with pyrazine","CrystEngComm","2006","8","4","333","","10.1039/b517513e","","","0.71073","MoKα","","0.176","0.0809","","","0.1857","0.2334","","","","","","0.961","","","","has coordinates","180363","2020-10-21","18:00:00","" "7203252","10.441","0.01","16.283","0.015","10.634","0.004","90","","100.42","0.05","90","","1778","2","120","2","120","2","","","","","","","Gareth Bates","5","P 1 21 1","P 2yb","4","","","","- C36 H48 Br Cl2 N5 -","- C36 H48 Br Cl2 N5 -","- C72 H96 Br2 Cl4 N10 -","2","1","","Bates, Gareth W.; Gale, Philip A.; Light, Mark E.","Ionic liquid?calix[4]pyrrole complexes: pyridinium inclusion in the calixpyrrole cup","CrystEngComm","2006","8","4","300","","10.1039/b600251j","","","0.71073","MoKα","","0.0924","0.0603","","","0.1247","0.1368","","","","","","1.03","","","","has coordinates","202017","2020-10-21","18:00:00","" "7203253","10.4518","0.0005","16.2074","0.0008","10.5977","0.0003","90","","99.626","0.002","90","","1769.94","0.13","120","2","120","2","","","","","","","Gareth Bates","4","P 1 21 1","P 2yb","4","","","","- C37 H50 Cl3 N5 -","- C37 H50 Cl3 N5 -","- C74 H100 Cl6 N10 -","2","1","","Bates, Gareth W.; Gale, Philip A.; Light, Mark E.","Ionic liquid?calix[4]pyrrole complexes: pyridinium inclusion in the calixpyrrole cup","CrystEngComm","2006","8","4","300","","10.1039/b600251j","","","0.71073","MoKα","","0.0877","0.0575","","","0.1417","0.1582","","","","","","1.026","","","","has coordinates","202017","2020-10-21","18:00:00","" "7203254","10.6105","0.0004","16.9689","0.0009","18.5412","0.001","90","","105.356","0.003","90","","3219.1","0.3","120","2","120","2","","","","","","","Gareth Bates","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 H48 Br N5 -","- C36 H48 Br N5 -","- C144 H192 Br4 N20 -","4","1","","Bates, Gareth W.; Gale, Philip A.; Light, Mark E.","Ionic liquid?calix[4]pyrrole complexes: pyridinium inclusion in the calixpyrrole cup","CrystEngComm","2006","8","4","300","","10.1039/b600251j","","","0.71073","MoKα","","0.1431","0.0574","","","0.0936","0.1154","","","","","","1.004","","","","has coordinates","202017","2020-10-21","18:00:00","" "7203255","10.3713","0.0004","16.0168","0.0006","10.5997","0.0002","90","","99.974","0.002","90","","1734.16","0.1","120","2","120","2","","","","","","","Gareth Bates","4","P 1 21 1","P 2yb","4","","","","- C36 H48 Cl3 N5 -","- C36 H48 Cl3 N5 -","- C72 H96 Cl6 N10 -","2","1","","Bates, Gareth W.; Gale, Philip A.; Light, Mark E.","Ionic liquid?calix[4]pyrrole complexes: pyridinium inclusion in the calixpyrrole cup","CrystEngComm","2006","8","4","300","","10.1039/b600251j","","","0.71073","MoKα","","0.0708","0.0432","","","0.0825","0.0917","","","","","","0.968","","","","has coordinates","202017","2020-10-21","18:00:00","" "7203256","21.91","0.002","21.91","","20.559","0.002","90","","90","","120","","8547.1","1.1","150","2","150","2","","","","","","","","5","P 61","P 61","169","(C9H10N2O2)6.(CHCl3)","o-Acetamidobenzamide Chloroform (6/1)","","- C9.17 H10.17 Cl0.5 N2 O2 -","- C9.16667 H10.1667 Cl0.5 N2 O2 -","- C330 H366 Cl18 N72 O72 -","36","6","","Barnett, Sarah A.; Tocher, Derek A.; Vickers, Martin","The solvates of o-acetamidobenzamide","CrystEngComm","2006","8","4","313","","10.1039/b600288a","","","0.71073","MoKα","","0.0766","0.0583","","","0.1406","0.1541","","","","","","1.039","","","","has coordinates","211332","2020-10-21","18:00:00","" "7203257","9.604","0.0009","17.5606","0.0016","18.3598","0.0017","72.468","0.002","86.767","0.002","75.422","0.002","2856.9","0.5","150","2","150","2","","","","","","","","4","P -1","-P 1","2","(C9H10N2O2)6.(C3H8O)","o-Acetamidobenzamide 1-propanol solvate (6/1)","","- C9.5 H11.33 N2 O2.17 -","- C9.5 H11.3333 N2 O2.16667 -","- C114 H136 N24 O26 -","12","6","","Barnett, Sarah A.; Tocher, Derek A.; Vickers, Martin","The solvates of o-acetamidobenzamide","CrystEngComm","2006","8","4","313","","10.1039/b600288a","","","0.71073","MoKα","","0.122","0.0617","","","0.1377","0.1688","","","","","","1.01","","","","has coordinates","211332","2020-10-21","18:00:00","" "7203258","9.145","0.006","18.334","0.012","19.059","0.012","67.29","0.01","86.635","0.011","81.875","0.011","2918","3","150","2","150","2","","","","","","","","4","P -1","-P 1","2","(C9H10N2O2)6.(C4H10O)","o-Acetamidobenzamide 1-butanol solvate (6/1)","","- C9.67 H11.67 N2 O2.17 -","- C9.66667 H11.6667 N2 O2.16667 -","- C116 H140 N24 O26 -","12","6","","Barnett, Sarah A.; Tocher, Derek A.; Vickers, Martin","The solvates of o-acetamidobenzamide","CrystEngComm","2006","8","4","313","","10.1039/b600288a","","","0.71073","MoKα","","0.1938","0.1","","","0.2394","0.2935","","","","","","0.886","","","","has coordinates","211332","2020-10-21","18:00:00","" "7203259","9.8722","0.0014","17.541","0.002","17.977","0.003","73.288","0.003","86.046","0.003","75.975","0.003","2892.7","0.7","150","2","150","2","","","","","","","","4","P -1","-P 1","2","(C9H10N2O2)6.(C4H10O)","o-Acetamidobenzamide 2-Butanol solvate (6/1)","","- C9.67 H11.67 N2 O2.17 -","- C9.66667 H11 N2 O2.16667 -","- C116 H132 N24 O26 -","12","6","","Barnett, Sarah A.; Tocher, Derek A.; Vickers, Martin","The solvates of o-acetamidobenzamide","CrystEngComm","2006","8","4","313","","10.1039/b600288a","","","0.71073","MoKα","","0.1124","0.0654","","","0.1497","0.1791","","","","","","1.025","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00","" "7203260","9.2597","0.0012","17.732","0.002","19.021","0.002","71.009","0.002","87.503","0.003","75.724","0.003","2859.6","0.6","150","2","150","2","","","","","","","","5","P -1","-P 1","2","(C9H10N2O2)6.(C2H4Cl2)","o-Acetamidobenzamide 1,2-Dichloroethane solvate (6/1)","","- C9.33 H10.67 Cl0.33 N2 O2 -","- C9.33333 H10 Cl0.333333 N2 O2 -","- C112 H120 Cl4 N24 O24 -","12","6","","Barnett, Sarah A.; Tocher, Derek A.; Vickers, Martin","The solvates of o-acetamidobenzamide","CrystEngComm","2006","8","4","313","","10.1039/b600288a","","","0.71073","MoKα","","0.1098","0.0679","","","0.1735","0.1986","","","","","","1.035","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00","" "7203261","9.746","0.01","17.664","0.018","18.548","0.019","73.29","0.016","85.649","0.018","75.83","0.02","2965","5","150","2","150","2","","","","","","","","4","P -1","-P 1","2","(C9H10N2O2)6.(C4H8O2)","o-Acetamidobenzamide 1,4-Dioxane solvate (6/1)","","- C9.67 H11.33 N2 O2.33 -","- C9.66667 H10 N2 O2.33333 -","- C116 H120 N24 O28 -","12","6","","Barnett, Sarah A.; Tocher, Derek A.; Vickers, Martin","The solvates of o-acetamidobenzamide","CrystEngComm","2006","8","4","313","","10.1039/b600288a","","","0.71073","MoKα","","0.3594","0.2059","","","0.391","0.4703","","","","","","1.127","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00","" "7203262","5.2602","0.0004","9.29","0.001","16.674","0.003","90","","90","","90","","814.81","0.18","120","1","120","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Isopropyl-(R)-(-)-3,3-difluorolactate","","","- C6 H10 F2 O3 -","- C6 H10 F2 O3 -","- C24 H40 F8 O12 -","4","1","","Takahashi, Satoshi; Jukurogi, Tatsuya; Katagiri, Toshimasa; Uneyama, Kenji","Isomorphic supramolecular structures via one-dimensional hydrogen bonding motifs in crystals of chiral difluorolactates, trichlorolactates and trifluorolactates","CrystEngComm","2006","8","4","320","","10.1039/b600325g","","","0.71069","MoKα","","0.0346","0.0331","","","0.088","0.0888","","","","","","1.036","","","","has coordinates,has disorder","180363","2020-10-21","18:00:00","" "7203263","18.8223","0.0006","5.1467","0.0001","7.7739","0.0003","90","","90","","90","","753.08","0.04","120","1","120","1","","","","","","","","4","P 21 21 2","P 2 2ab","18","Hexamethylene-(R,R)-bis(3,3-difluorolactate)","","","- C12 H18 F4 O6 -","- C12 H18 F4 O6 -","- C24 H36 F8 O12 -","2","0.5","","Takahashi, Satoshi; Jukurogi, Tatsuya; Katagiri, Toshimasa; Uneyama, Kenji","Isomorphic supramolecular structures via one-dimensional hydrogen bonding motifs in crystals of chiral difluorolactates, trichlorolactates and trifluorolactates","CrystEngComm","2006","8","4","320","","10.1039/b600325g","","","0.71069","MoKα","","0.0554","0.0473","","","0.0969","0.0994","","","","","","1.216","","","","has coordinates","180363","2020-10-21","18:00:00","" "7203264","8.6464","0.0003","5.6435","0.0001","10.8654","0.0004","90","","109.451","0.001","90","","499.93","0.03","123","2","123","2","","","","","","","","4","P 1 21 1","P 2yb","4","Isopropyl-(S)-(-)-3,3,3-trichlorolactate","","","- C6 H9 Cl3 O3 -","- C6 H9 Cl3 O3 -","- C12 H18 Cl6 O6 -","2","1","","Takahashi, Satoshi; Jukurogi, Tatsuya; Katagiri, Toshimasa; Uneyama, Kenji","Isomorphic supramolecular structures via one-dimensional hydrogen bonding motifs in crystals of chiral difluorolactates, trichlorolactates and trifluorolactates","CrystEngComm","2006","8","4","320","","10.1039/b600325g","","","0.71069","MoKα","","0.0271","0.0266","","","0.0657","0.0659","","","","","","1.172","","","","has coordinates","202017","2020-10-21","18:00:00","" "7203265","21.7785","0.0017","5.7582","0.0002","8.4827","0.0007","90","","90","","90","","1063.77","0.13","150","1","150","1","","","","","","","","4","P 21 21 2","P 2 2ab","18","(-)-Octamethylene-(S,S)-bis(3,3,3-trichlorolactate)","","","- C14 H20 Cl6 O6 -","- C14 H20 Cl6 O6 -","- C28 H40 Cl12 O12 -","2","0.5","","Takahashi, Satoshi; Jukurogi, Tatsuya; Katagiri, Toshimasa; Uneyama, Kenji","Isomorphic supramolecular structures via one-dimensional hydrogen bonding motifs in crystals of chiral difluorolactates, trichlorolactates and trifluorolactates","CrystEngComm","2006","8","4","320","","10.1039/b600325g","","","0.71069","MoKα","","0.0505","0.0424","","","0.0883","0.0908","","","","","","1.176","","","","has coordinates","180363","2020-10-21","18:00:00","" "7203266","9.2129","0.0001","6.6622","0.0002","12.5141","0.0003","90","","103.89","0.002","90","","745.63","0.03","296","1","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","(+)-(S)-1-Phenylethylammonium-(S)-3,3,3-trichlorolactate","","","- C11 H14 Cl3 N O3 -","- C11 H14 Cl3 N O3 -","- C22 H28 Cl6 N2 O6 -","2","1","","Takahashi, Satoshi; Jukurogi, Tatsuya; Katagiri, Toshimasa; Uneyama, Kenji","Isomorphic supramolecular structures via one-dimensional hydrogen bonding motifs in crystals of chiral difluorolactates, trichlorolactates and trifluorolactates","CrystEngComm","2006","8","4","320","","10.1039/b600325g","","","0.71069","MoKα","","0.0726","0.0607","","","0.1499","0.1562","","","","","","1.117","","","","has coordinates","202017","2020-10-21","18:00:00","" "7203267","14.958","0.0005","14.166","0.0004","12.105","0.0004","90","","99.174","0.002","90","","2532.18","0.14","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C8 H44 Co N2 O18 S2 -","- C8 H44 Co N2 O18 S2 -","- C32 H176 Co4 N8 O72 S8 -","4","1","","Galloway, Kyle W.; Parkin, Andrew; Harte, Suzanne M.; Ferguson, Alan; Murrie, Mark","Tuning the structural motif by tuning the countercation size: from double salts to a 1-D coordination polymer","CrystEngComm","2006","8","4","346","","10.1039/b600447d","","","0.71073","MoKα","","0.0718","0.031","","0.0651","0.0591","0.0651","","","","","","0.6573","","","","has coordinates","176453","2020-10-21","18:00:00","" "7203268","6.9495","0.0002","16.0265","0.0005","14.7693","0.0005","90","","101.867","0.002","90","","1609.79","0.09","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H60 Co N2 O18 S2 -","- C16 H60 Co N2 O18 S2 -","- C32 H120 Co2 N4 O36 S4 -","2","0.5","","Galloway, Kyle W.; Parkin, Andrew; Harte, Suzanne M.; Ferguson, Alan; Murrie, Mark","Tuning the structural motif by tuning the countercation size: from double salts to a 1-D coordination polymer","CrystEngComm","2006","8","4","346","","10.1039/b600447d","","","0.71073","MoKα","","0.0805","0.0412","","0.0849","0.0774","0.0849","","","","","","0.8407","","","","has coordinates","176453","2020-10-21","18:00:00","" "7203269","15.2597","0.0004","23.4134","0.0006","16.9043","0.0003","90","","101.739","0.001","90","","5913.3","0.2","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H49 Co N O11 -","- C22 H49 Co N O11 -","- C176 H392 Co8 N8 O88 -","8","2","","Galloway, Kyle W.; Parkin, Andrew; Harte, Suzanne M.; Ferguson, Alan; Murrie, Mark","Tuning the structural motif by tuning the countercation size: from double salts to a 1-D coordination polymer","CrystEngComm","2006","8","4","346","","10.1039/b600447d","","","0.71073","MoKα","","0.1341","0.054","","0.152","0.1338","0.152","","","","","","0.8225","","","","has coordinates","176453","2020-10-21","18:00:00","" "7203270","19.257","0.001","19.257","","27.718","0.002","90","","90","","90","","10278.7","0.9","153","2","153","2","","","","","","","","3","P 4/n c c :2","-P 4a 2ac","130","","","","- C176 H50 O5 -","- C176 H48 O5 -","- C704 H192 O20 -","4","0.25","","Makha, Mohamed; Raston, Colin L.; Sobolev, Alexandre N.; Barbour, Leonard J.; Turner, Peter","Endo- versus?exo-cavity interplay of p-benzylcalix[4]arene with spheroidal molecules","CrystEngComm","2006","8","4","306","","10.1039/b600550k","","","0.55","synchrotron","","0.1367","0.1293","","","0.3701","0.3816","","","","","","0.967","","","","has coordinates,has disorder","180363","2020-10-21","18:00:00","" "7203271","21.2568","0.0004","10.0977","0.0003","26.6014","0.0009","90","","113.269","0.001","90","","5245.4","0.3","295","2","295","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C58 H60 B10 O4 -","- C58 H60 B10 O4 -","- C232 H240 B40 O16 -","4","1","","Makha, Mohamed; Raston, Colin L.; Sobolev, Alexandre N.; Barbour, Leonard J.; Turner, Peter","Endo- versus?exo-cavity interplay of p-benzylcalix[4]arene with spheroidal molecules","CrystEngComm","2006","8","4","306","","10.1039/b600550k","","","0.7107","MoKα","","0.3208","0.0787","","","0.108","0.1499","","","","","","0.958","","","","has coordinates","180363","2020-10-21","18:00:00","" "7203272","13.773","0.002","13.773","0.002","6.998","0.002","90","","90","","120","","1149.6","0.4","294","","","","","","","","","","","3","P 31 2 1","P 31 2""","152","","","","- C16.5 H27.5 O2 -","- C16.5 H28.5 O2 -","- C49.5 H85.5 O6 -","3","0.5","","Yue, Weimin; Nakano, Kazunori; Bishop, Roger; Craig, Donald C.; Harris, Kenneth D. M.; Scudder, Marcia L.","Alternative hydrogen bonding modes employed by a helical tubuland diol host molecule","CrystEngComm","2006","8","3","250","","10.1039/b600651e","","","1.54184","CuKα","","","0.051","","","","0.067","","","","","","1.68","","","","has coordinates","180363","2020-10-21","18:00:00","" "7203273","7.328","0.002","13.46","0.002","19.037","0.004","90","","91.87","0.01","90","","1876.7","0.7","294","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H27 F3 O4 -","- C17 H27 F3 O4 -","- C68 H108 F12 O16 -","4","1","","Yue, Weimin; Nakano, Kazunori; Bishop, Roger; Craig, Donald C.; Harris, Kenneth D. M.; Scudder, Marcia L.","Alternative hydrogen bonding modes employed by a helical tubuland diol host molecule","CrystEngComm","2006","8","3","250","","10.1039/b600651e","","","1.54184","CuKα","","","0.116","","","","0.173","","","","","","2.22","","","","has coordinates","180363","2020-10-21","18:00:00","" "7203274","7.037","0.002","13.661","0.002","18.194","0.005","90","","107.19","0.01","90","","1670.9","0.7","294","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C17 H32 O3 -","- C17 H32 O3 -","- C68 H128 O12 -","4","1","","Yue, Weimin; Nakano, Kazunori; Bishop, Roger; Craig, Donald C.; Harris, Kenneth D. M.; Scudder, Marcia L.","Alternative hydrogen bonding modes employed by a helical tubuland diol host molecule","CrystEngComm","2006","8","3","250","","10.1039/b600651e","","","1.54184","CuKα","","","0.06","","","","0.106","","","","","","1.89","","","","has coordinates","180363","2020-10-21","18:00:00","" "7203275","7.536","0.003","13.657","0.003","17.238","0.007","90","","106.91","0.02","90","","1697.4","1.1","294","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C17 H30 O4 -","- C17 H30 O4 -","- C68 H120 O16 -","4","1","","Yue, Weimin; Nakano, Kazunori; Bishop, Roger; Craig, Donald C.; Harris, Kenneth D. M.; Scudder, Marcia L.","Alternative hydrogen bonding modes employed by a helical tubuland diol host molecule","CrystEngComm","2006","8","3","250","","10.1039/b600651e","","","0.71073","MoKα","","","0.065","","","","0.081","","","","","","1.77","","","","has coordinates","180363","2020-10-21","18:00:00","" "7203276","6.908","0.004","13.833","0.005","18.981","0.007","90","","97.99","0.02","90","","1796.2","1.4","294","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H34 O3 -","- C18 H34 O3 -","- C72 H136 O12 -","4","1","","Yue, Weimin; Nakano, Kazunori; Bishop, Roger; Craig, Donald C.; Harris, Kenneth D. M.; Scudder, Marcia L.","Alternative hydrogen bonding modes employed by a helical tubuland diol host molecule","CrystEngComm","2006","8","3","250","","10.1039/b600651e","","","0.71073","MoKα","","","0.068","","","","0.092","","","","","","1.85","","","","has coordinates","180363","2020-10-21","18:00:00","" "7203277","7.777","0.004","14.093","0.007","15.21","0.007","86.12","0.03","82.12","0.02","79.66","0.02","1622.9","1.4","294","","","","","","","","","","","3","P -1","-P 1","2","","","","- C33 H61 O7 -","- C33 H61 O7 -","- C66 H122 O14 -","2","1","","Yue, Weimin; Nakano, Kazunori; Bishop, Roger; Craig, Donald C.; Harris, Kenneth D. M.; Scudder, Marcia L.","Alternative hydrogen bonding modes employed by a helical tubuland diol host molecule","CrystEngComm","2006","8","3","250","","10.1039/b600651e","","","0.71073","MoKα","","","0.076","","","","0.092","","","","","","1.89","","","","has coordinates","180363","2020-10-21","18:00:00","" "7203278","6.991","0.004","13.781","0.006","20.216","0.008","90","","97.6","0.03","90","","1930.6","1.6","294","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C19 H36 O3 -","- C19 H36 O3 -","- C76 H144 O12 -","4","1","","Yue, Weimin; Nakano, Kazunori; Bishop, Roger; Craig, Donald C.; Harris, Kenneth D. M.; Scudder, Marcia L.","Alternative hydrogen bonding modes employed by a helical tubuland diol host molecule","CrystEngComm","2006","8","3","250","","10.1039/b600651e","","","0.71073","MoKα","","","0.107","","","","0.136","","","","","","1.99","","","","has coordinates","180363","2020-10-21","18:00:00","" "7203279","7.3278","0.0002","21.8954","0.0008","11.7204","0.0004","90","","97.01","","90","","1866.42","0.11","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H14 Co N4 O4 -","- C22 H14 Co N4 O4 -","- C88 H56 Co4 N16 O16 -","4","1","","Xia, Chang-Kun; Lu, Can-Zhong; Yuan, Da-Qiang; Zhang, Quan-Zheng; Wu, Xiao-Yuan; Xiang, Sheng-Chang; Zhang, Jian-Jun; Wu, Ding-Ming","Syntheses, crystal structures, and properties of complexes constructed with polybenzoate and 2,2′-bibenzimidazole","CrystEngComm","2006","8","3","281","","10.1039/b600741d","","","0.71073","MoKα","","0.1027","0.0733","","","0.136","0.151","","","","","","1.252","","","","has coordinates","180363","2020-10-21","18:00:00","" "7203280","7.2779","0.0011","21.675","0.003","11.786","0.002","90","","97.484","0.007","90","","1843.4","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H14 N4 Ni O4 -","- C22 H14 N4 Ni O4 -","- C88 H56 N16 Ni4 O16 -","4","1","","Xia, Chang-Kun; Lu, Can-Zhong; Yuan, Da-Qiang; Zhang, Quan-Zheng; Wu, Xiao-Yuan; Xiang, Sheng-Chang; Zhang, Jian-Jun; Wu, Ding-Ming","Syntheses, crystal structures, and properties of complexes constructed with polybenzoate and 2,2′-bibenzimidazole","CrystEngComm","2006","8","3","281","","10.1039/b600741d","","","0.71073","MoKα","","0.1059","0.069","","","0.1188","0.1319","","","","","","1.11","","","","has coordinates","180363","2020-10-21","18:00:00","" "7203281","13.4816","0.0005","22.1896","0.0008","12.2588","0.0004","90","","116.196","0.001","90","","3290.6","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H26 Co N8 O5 -","- C36 H26 Co N8 O5 -","- C144 H104 Co4 N32 O20 -","4","1","","Xia, Chang-Kun; Lu, Can-Zhong; Yuan, Da-Qiang; Zhang, Quan-Zheng; Wu, Xiao-Yuan; Xiang, Sheng-Chang; Zhang, Jian-Jun; Wu, Ding-Ming","Syntheses, crystal structures, and properties of complexes constructed with polybenzoate and 2,2′-bibenzimidazole","CrystEngComm","2006","8","3","281","","10.1039/b600741d","","","0.71073","MoKα","","0.0996","0.0618","","","0.1187","0.1374","","","","","","1.236","","","","has coordinates","180363","2020-10-21","18:00:00","" "7203282","17.5096","0.0004","33.7329","0.0007","15.2861","0.0004","90","","98.121","0.001","90","","8938.2","0.4","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C88 H69 Co4 N20 O19 -","- C88 H54 Co4 N20 O19 -","- C352 H216 Co16 N80 O76 -","4","1","","Xia, Chang-Kun; Lu, Can-Zhong; Yuan, Da-Qiang; Zhang, Quan-Zheng; Wu, Xiao-Yuan; Xiang, Sheng-Chang; Zhang, Jian-Jun; Wu, Ding-Ming","Syntheses, crystal structures, and properties of complexes constructed with polybenzoate and 2,2′-bibenzimidazole","CrystEngComm","2006","8","3","281","","10.1039/b600741d","","","0.71073","MoKα","","0.0924","0.0685","","","0.15","0.1711","","","","","","1.134","","","","has coordinates","180363","2020-10-21","18:00:00","" "7203283","11.3758","0.0018","11.982","0.002","12.6203","0.0019","104.568","0.006","97.853","0.002","108.063","0.006","1539.2","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C66 H42 Co2 N16 O8 -","- C66 H42 Co2 N16 O8 -","- C66 H42 Co2 N16 O8 -","1","0.5","","Xia, Chang-Kun; Lu, Can-Zhong; Yuan, Da-Qiang; Zhang, Quan-Zheng; Wu, Xiao-Yuan; Xiang, Sheng-Chang; Zhang, Jian-Jun; Wu, Ding-Ming","Syntheses, crystal structures, and properties of complexes constructed with polybenzoate and 2,2′-bibenzimidazole","CrystEngComm","2006","8","3","281","","10.1039/b600741d","","","0.71073","MoKα","","0.0816","0.0559","","","0.1177","0.1345","","","","","","1.098","","","","has coordinates","180363","2020-10-21","18:00:00","" "7203284","12.1901","0.0002","28.2433","0.0004","14.47","","90","","92.304","0.001","90","","4977.83","0.11","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C50 H40 N12 Ni O7 -","- C50 H34 N12 Ni O7 -","- C200 H136 N48 Ni4 O28 -","4","1","","Xia, Chang-Kun; Lu, Can-Zhong; Yuan, Da-Qiang; Zhang, Quan-Zheng; Wu, Xiao-Yuan; Xiang, Sheng-Chang; Zhang, Jian-Jun; Wu, Ding-Ming","Syntheses, crystal structures, and properties of complexes constructed with polybenzoate and 2,2′-bibenzimidazole","CrystEngComm","2006","8","3","281","","10.1039/b600741d","","","0.71073","MoKα","","0.1515","0.1049","","","0.1843","0.2101","","","","","","1.321","","","","has coordinates","180363","2020-10-21","18:00:00","" "7203285","10.1051","0.0006","28.8085","0.0018","4.838","0.0002","90","","103.868","0.01","90","","1367.35","0.14","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H16 N2 O3 -","- C15 H16 N2 O3 -","- C60 H64 N8 O12 -","4","1","","Gelbrich, Thomas; Hursthouse, Michael B.","Systematic investigation of the relationships between 25 crystal structures containing the carbamazepine molecule or a close analogue: a case study of the XPac method","CrystEngComm","2006","8","6","448","","10.1039/b600753h","","","0.71073","MoKα","","0.1038","0.0506","","","0.077","0.0856","","","","","","1.171","","","","has coordinates","202017","2020-10-21","18:00:00","" "7203286","51.227","0.003","51.227","0.003","12.8243","0.0008","90","","90","","120","","29145","3","173","2","173","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C300 H426 Fe30 O168 -","- C300 H426 Fe30 O168 -","- C900 H1278 Fe90 O504 -","3","0.166667","","Jiang, Guoqing; Li, Yizhi; Hua, Weijie; Song, You; Bai, Junfeng; Li, Shuhua; Scheer, Manfred; You, Xiaozeng","A supramolecular assembly of {Fe10} molecular wheels with tubular structures","CrystEngComm","2006","8","5","384","","10.1039/b600875e","","","0.71073","MoKα","","0.0885","0.0598","","","0.1171","0.1222","","","","","","1.064","","","","has coordinates","180363","2020-10-21","18:00:00","" "7203287","11.104","0.0004","12.3528","0.0005","12.8493","0.0005","112.138","0.002","98.411","0.002","103.464","0.002","1533.17","0.11","150","2","150","2","","","","","","","","7","P 1","P 1","1","","","","- C62 H58 B2 Cu F8 N6 S5 -","- C62 H58 B2 Cu F8 N6 S5 -","- C62 H58 B2 Cu F8 N6 S5 -","1","1","","Holmes, Kathryn E.; Kelly, Paul F.; Dale, Sophie H.; Elsegood, Mark R. J.","New observations of structural diversity in copper(ii) complexes of diphenylsulfimide","CrystEngComm","2006","8","5","391","","10.1039/b601230b","","","0.71073","MoKα","","0.0244","0.0231","","","0.0583","0.0592","","","","","","1.026","","","","has coordinates","180363","2020-10-21","18:00:00","" "7203288","16.743","0.0006","20.5911","0.0007","30.9059","0.0011","90","","90","","90","","10655","0.6","150","2","150","2","","","","","","","","8","P b c n","-P 2n 2ab","60","","","","- C52 H52 B2 Cu F8 N5 O0.5 S4 -","- C52 H52 B1.5 Cu F6 N5 O0.5 S4 -","- C416 H416 B12 Cu8 F48 N40 O4 S32 -","8","1","","Holmes, Kathryn E.; Kelly, Paul F.; Dale, Sophie H.; Elsegood, Mark R. J.","New observations of structural diversity in copper(ii) complexes of diphenylsulfimide","CrystEngComm","2006","8","5","391","","10.1039/b601230b","","","0.71073","MoKα","","0.0924","0.0594","","","0.1596","0.1774","","","","","","1.127","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00","" "7203289","17.1827","0.0007","20.0047","0.0009","14.4205","0.0006","90","","103.157","0.002","90","","4826.7","0.4","150","2","150","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C48 H44 Cl2 Cu N4 O8 S4 -","- C48 H44 Cl2 Cu N4 O8 S4 -","- C192 H176 Cl8 Cu4 N16 O32 S16 -","4","0.5","","Holmes, Kathryn E.; Kelly, Paul F.; Dale, Sophie H.; Elsegood, Mark R. J.","New observations of structural diversity in copper(ii) complexes of diphenylsulfimide","CrystEngComm","2006","8","5","391","","10.1039/b601230b","","","0.71073","MoKα","","0.0404","0.03","","","0.0736","0.0796","","","","","","1.032","","","","has coordinates","180363","2020-10-21","18:00:00","" "7203290","14.7535","0.0008","10.3848","0.0006","35.2904","0.0019","90","","99.713","0.002","90","","5329.4","0.5","150","2","150","2","","","","","","","","7","P 1 2/c 1","-P 2yc","13","","","","- C50 H51 Cl2 Cu N4 O9.5 S4 -","- C50 H44 Cl2 Cu N4 O9.5 S4 -","- C200 H176 Cl8 Cu4 N16 O38 S16 -","4","1","","Holmes, Kathryn E.; Kelly, Paul F.; Dale, Sophie H.; Elsegood, Mark R. J.","New observations of structural diversity in copper(ii) complexes of diphenylsulfimide","CrystEngComm","2006","8","5","391","","10.1039/b601230b","","","0.71073","MoKα","","0.0868","0.0671","","","0.1611","0.1736","","","","","","1.041","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00","" "7203291","10.4903","0.0004","23.5948","0.0008","19.4528","0.0007","90","","100.126","0.002","90","","4739.9","0.3","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C48 H44 Cu N6 O6 S4 -","- C48 H44 Cu N6 O6 S4 -","- C192 H176 Cu4 N24 O24 S16 -","4","1","","Holmes, Kathryn E.; Kelly, Paul F.; Dale, Sophie H.; Elsegood, Mark R. J.","New observations of structural diversity in copper(ii) complexes of diphenylsulfimide","CrystEngComm","2006","8","5","391","","10.1039/b601230b","","","0.71073","MoKα","","0.0402","0.0304","","","0.079","0.0864","","","","","","1.04","","","","has coordinates","180363","2020-10-21","18:00:00","" "7203292","10.4434","0.0005","16.95","0.0008","30.3408","0.0013","90","","92.81","0.002","90","","5364.3","0.4","150","2","150","2","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C108 H103 Cu2 N13 O14 S9 -","- C108 H99 Cu2 N13 O14 S9 -","- C216 H198 Cu4 N26 O28 S18 -","2","1","","Holmes, Kathryn E.; Kelly, Paul F.; Dale, Sophie H.; Elsegood, Mark R. J.","New observations of structural diversity in copper(ii) complexes of diphenylsulfimide","CrystEngComm","2006","8","5","391","","10.1039/b601230b","","","0.71073","MoKα","","0.111","0.0578","","","0.1183","0.1427","","","","","","1.023","","","","has coordinates,has disorder","180363","2020-10-21","18:00:00","" "7203295","3.8917","0.0005","6.9999","0.0008","22.977","0.003","90","","90.798","0.002","90","","625.87","0.14","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","(E,E)-1,2-bis-4-chlorobenzaldazine","(E,E)-1,2-bis-4-chlorobenzaldazine","","- C14 H10 Cl2 N2 -","- C14 H10 Cl2 N2 -","- C28 H20 Cl4 N4 -","2","0.5","","Glaser, Rainer; Murphy, Richard F.; Sui, Yongqiang; Barnes, Charles L.; Kim, Sung Hoon","Multifurcated halogen bonding involving Ph?Cl?H?CPh?N?R? interactions and its relation to idioteloamphiphile layer architecture","CrystEngComm","2006","8","5","372","","10.1039/b601467d","","","0.71073","MoKα","","0.0348","0.0328","","","0.0851","0.0867","","","","","","1.079","","","","has coordinates","180363","2020-10-21","18:00:00","" "7203296","13.6878","0.0002","16.3438","0.0003","22.3279","0.0005","77.892","0.001","86.092","0.001","83.936","0.001","4851.11","0.16","113","2","113","2","","","","","","","","5","P -1","-P 1","2","none","1^4^,1^6^,5^4^,5^6^-tetrahydroxy-2,4,6,8-tetrapentyl-3^4^,3^6^,7^4^,7^6^- tetra(p-toluenesulfonyl-oxy) -1,3,5,7(1,3)-tetrabenzenacyclooctaphane.5(2-picoline) clathrate","","- C106 H123 N5 O16 S4 -","- C106 H105 N5 O16 S4 -","- C212 H210 N10 O32 S8 -","2","1","","Caira, Mino R.; le Roex, Tanya; Nassimbeni, Luigi R.","Selective enclathration of picoline isomers by a resorcinarene host","CrystEngComm","2006","8","3","275","","10.1039/b601560c","","","0.71073","MoKα","","0.0956","0.0546","","","0.1303","0.1515","","","","","","0.98","","","","has coordinates","180363","2020-10-21","18:00:00","" "7203297","44.8472","0.0003","20.7901","0.0002","23.3348","0.0002","90","","117.239","0.001","90","","19344.1","0.3","113","2","113","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","none","1^4^,1^6^,5^4^,5^6^-tetrahydroxy-2,4,6,8-tetrapentyl-3^4^,3^6^,7^4^,7^6^ -tetra(p-toluenesulfonyl-oxy) -1,3,5,7(1,3)-tetrabenzenacyclooctaphane. 4.5(3-picoline). 0.5(H2O) clathrate","","- C103 H120.5 N4.5 O16.5 S4 -","- C103 H102 N4.5 O17 S4 -","- C824 H816 N36 O136 S32 -","8","1","","Caira, Mino R.; le Roex, Tanya; Nassimbeni, Luigi R.","Selective enclathration of picoline isomers by a resorcinarene host","CrystEngComm","2006","8","3","275","","10.1039/b601560c","","","0.71073","MoKα","","0.1296","0.0811","","","0.2117","0.2447","","","","","","1.042","","","","has coordinates","176453","2020-10-21","18:00:00","" "7203298","16.9366","0.0001","17.9477","0.0002","19.4997","0.0002","104.495","0.001","96.671","0.001","105.44","","5424.44","0.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","none","1^4^,1^6^,5^4^,5^6^-tetrahydroxy-2,4,6,8-tetrapentyl-3^4^,3^6^,7^4^,7^6^ -tetra(p-toluenesulfonyl-oxy) -1,3,5,7(1,3)-tetrabenzenacyclooctaphane. 6.5(4-picoline). 2(H2O) clathrate","","- C112 H130 N6 O16 S4 -","- C114.5 H105 N6.93 O18 S4 -","- C229 H210 N13.86 O36 S8 -","2","1","","Caira, Mino R.; le Roex, Tanya; Nassimbeni, Luigi R.","Selective enclathration of picoline isomers by a resorcinarene host","CrystEngComm","2006","8","3","275","","10.1039/b601560c","","","0.71073","MoKα","","0.1114","0.0687","","","0.1768","0.2041","","","","","","1.043","","","","has coordinates","180363","2020-10-21","18:00:00","" "7203301","14.4629","0.0005","16.4777","0.0008","10.6768","0.0005","90","","108.359","0.003","90","","2414.94","0.19","110","2","110","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C60 H40 N6 O12 -","- C60 H40 N6 O12 -","- C120 H80 N12 O24 -","2","0.5","","George, Sumod; Lipstman, Sophia; Muniappan, Sankar; Goldberg, Israel","Porphyrin network solids: examples of supramolecular isomerism, noncentrosymmetric architectures and competing solvation","CrystEngComm","2006","8","5","417","","10.1039/b601889k","","","0.71073","MoKα","","0.1465","0.0565","","","0.102","0.1301","","","","","","0.939","","","","has coordinates","180364","2020-10-21","18:00:00","" "7203302","10.9364","0.0006","8.8819","0.0005","19.9898","0.0007","90","","101.773","0.003","90","","1900.88","0.16","110","2","110","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C48 H27 Mn N4 O8 -","- C48 H27 Mn N4 O8 -","- C96 H54 Mn2 N8 O16 -","2","1","","George, Sumod; Lipstman, Sophia; Muniappan, Sankar; Goldberg, Israel","Porphyrin network solids: examples of supramolecular isomerism, noncentrosymmetric architectures and competing solvation","CrystEngComm","2006","8","5","417","","10.1039/b601889k","","","0.71073","MoKα","","0.1035","0.064","","","0.1347","0.155","","","","","","1.033","","","","has coordinates","180364","2020-10-21","18:00:00","" "7203303","19.8264","0.0005","19.8264","0.0005","9.446","0.0002","90","","90","","90","","3713.09","0.15","110","2","110","2","","","","","","","","6","P 42","P 4c","77","","","","- C45 H31 Cl Mn N4 O5 -","- C45 H31 Cl Mn N4 O5 -","- C180 H124 Cl4 Mn4 N16 O20 -","4","1","","George, Sumod; Lipstman, Sophia; Muniappan, Sankar; Goldberg, Israel","Porphyrin network solids: examples of supramolecular isomerism, noncentrosymmetric architectures and competing solvation","CrystEngComm","2006","8","5","417","","10.1039/b601889k","","","0.71073","MoKα","","0.094","0.0637","","","0.1656","0.192","","","","","","1.008","","","","has coordinates","180364","2020-10-21","18:00:00","" "7203304","8.5521","0.0002","11.4432","0.0006","19.4875","0.0008","87.8501","0.0018","88.857","0.003","82.044","0.003","1887.22","0.13","110","2","110","2","","","","","","","","6","P -1","-P 1","2","","","","- C80 H72 Cu N8 O20 S4 -","- C80 H72 Cu N8 O20 S4 -","- C80 H72 Cu N8 O20 S4 -","1","0.5","","George, Sumod; Lipstman, Sophia; Muniappan, Sankar; Goldberg, Israel","Porphyrin network solids: examples of supramolecular isomerism, noncentrosymmetric architectures and competing solvation","CrystEngComm","2006","8","5","417","","10.1039/b601889k","","","0.71073","MoKα","","0.1016","0.0529","","","0.1141","0.1364","","","","","","1.012","","","","has coordinates","180364","2020-10-21","18:00:00","" "7203305","6.121","0.002","7.073","0.003","45.3","0.02","90","","90","","90","","1961.2","1.4","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H27 N O3 -","- C21 H27 N O3 -","- C84 H108 N4 O12 -","4","1","","Xia, Wujiong; Yang, Chao; Scheffer, John R.; Patrick, Brian O.","Engineering acyclic alkyl aryl ketones for enantioselective Norrish/Yang type II photochemistry in the crystalline state","CrystEngComm","2006","8","5","388","","10.1039/b601903j","","","0.71073","MoKα","","0.1562","0.1381","","","0.3567","0.3664","","","","","","1.426","","","","has coordinates","202017","2020-10-21","18:00:00","" "7203306","9.4944","0.0002","10.6542","0.0003","12.8614","0.0003","90","","90","","90","","1301","0.05","173","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H19 N O -","- C15 H19 N O -","- C60 H76 N4 O4 -","4","1","","Xia, Wujiong; Yang, Chao; Scheffer, John R.; Patrick, Brian O.","Engineering acyclic alkyl aryl ketones for enantioselective Norrish/Yang type II photochemistry in the crystalline state","CrystEngComm","2006","8","5","388","","10.1039/b601903j","","","0.71073","MoKα","","0.0681","0.0514","","","0.1243","0.1303","","","","","","1.126","","","","has coordinates","202017","2020-10-21","18:00:00","" "7203307","6.2453","0.0006","10.1233","0.001","16.8774","0.0017","93.037","0.002","92.521","0.002","90.826","0.002","1064.36","0.18","100","2","100","2","","","","","","","","5","P -1","-P 1","2","2,4,6-tris(2-chloro-3-pyridyloxy)-1,3,5-triazine, acetylacetone","2,4,6-tris(2-chloro-3-pyridyloxy)-1,3,5-triazine, acetylacetone","","- C19.25 H11 Cl3 N6 O3.5 -","- C18 H9 Cl3 N6 O3 -","- C36 H18 Cl6 N12 O6 -","2","1","","Saha, Binoy K.; Nangia, Ashwini","Self-assembled organic tubular host for van der Waals guest inclusion","CrystEngComm","2006","8","6","440","","10.1039/b602000n","","","0.71073","MoKα","","0.0551","0.0429","","","0.0987","0.1027","","","","","","1.059","","","","has coordinates","202017","2020-10-21","18:00:00","" "7203308","6.2482","0.0007","10.1684","0.0012","16.8235","0.0019","86.796","0.002","87.072","0.002","89.309","0.002","1065.8","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","2,4,6-tris(2-chloro-3-pyridyloxy)-1,3,5-triazine, acetone","2,4,6-tris(2-chloro-3-pyridyloxy)-1,3,5-triazine, acetone","","- C19.59 H12.18 Cl3 N6 O3.53 -","- C18 H9 Cl3 N6 O3 -","- C36 H18 Cl6 N12 O6 -","2","1","","Saha, Binoy K.; Nangia, Ashwini","Self-assembled organic tubular host for van der Waals guest inclusion","CrystEngComm","2006","8","6","440","","10.1039/b602000n","","","0.71073","MoKα","","0.0526","0.042","","","0.0975","0.1023","","","","","","1.045","","","","has coordinates","202017","2020-10-21","18:00:00","" "7203309","6.2474","0.0013","10.134","0.002","16.828","0.004","93.843","0.003","92.715","0.003","90.321","0.003","1061.8","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","2,4,6-tris(2-chloro-3-pyridyloxy)-1,3,5-triazine, ethylacetate","2,4,6-tris(2-chloro-3-pyridyloxy)-1,3,5-triazine, ethylacetate","","- C19.52 H12.04 Cl3 N6 O3.76 -","- C18 H9 Cl3 N6 O3 -","- C36 H18 Cl6 N12 O6 -","2","1","","Saha, Binoy K.; Nangia, Ashwini","Self-assembled organic tubular host for van der Waals guest inclusion","CrystEngComm","2006","8","6","440","","10.1039/b602000n","","","0.71073","MoKα","","0.0839","0.0569","","","0.1333","0.1411","","","","","","1.045","","","","has coordinates","202017","2020-10-21","18:00:00","" "7203310","17.249","0.0009","17.249","0.0009","12.0227","0.0012","90","","90","","120","","3097.9","0.4","298","2","298","2","","","","","","","","5","P 63","P 6c","173","2,4,6-tris(2-chloro-3-pyridyloxy)-1,3,5-triazine","2,4,6-tris(2-chloro-3-pyridyloxy)-1,3,5-triazine","","- C18 H9 Cl3 N6 O3 -","- C18 H9 Cl3 N6 O3 -","- C108 H54 Cl18 N36 O18 -","6","1","","Saha, Binoy K.; Nangia, Ashwini","Self-assembled organic tubular host for van der Waals guest inclusion","CrystEngComm","2006","8","6","440","","10.1039/b602000n","","","0.71073","MoKα","","0.085","0.0663","","","0.1769","0.191","","","","","","1.036","","","","has coordinates","180364","2020-10-21","18:00:00","" "7203311","6.3045","0.0007","10.1891","0.0011","17.0142","0.0019","93.247","0.002","92.607","0.002","90.35","0.002","1090","0.2","298","2","298","2","","","","","","","","5","P -1","-P 1","2","2,4,6-tris(2-chloro-3-pyridyloxy)-1,3,5-triazine, nitromethane","2,4,6-tris(2-chloro-3-pyridyloxy)-1,3,5-triazine, nitromethane","","- C18.55 H10.65 Cl3 N6.55 O4.1 -","- C18 H9 Cl3 N6 O3 -","- C36 H18 Cl6 N12 O6 -","2","1","","Saha, Binoy K.; Nangia, Ashwini","Self-assembled organic tubular host for van der Waals guest inclusion","CrystEngComm","2006","8","6","440","","10.1039/b602000n","","","0.71073","MoKα","","0.1356","0.0586","","","0.1061","0.1229","","","","","","0.882","","","","has coordinates","202017","2020-10-21","18:00:00","" "7203312","6.2589","0.0005","10.1316","0.0008","16.8663","0.0013","86.024","0.001","87.527","0.001","88.201","0.001","1065.54","0.15","100","2","100","2","","","","","","","","5","P -1","-P 1","2","2, 4, 6-tris(2-chloro-3-pyridinoxy)-1 ,3, 5-triazine, ethylmethylketone","2, 4, 6-tris(2-chloro-3-pyridinoxy)-1 ,3, 5-triazine, ethylmethylketone","","- C20 H13 Cl3 N6 O3.5 -","- C20 H12 Cl3 N6 O3.5 -","- C40 H24 Cl6 N12 O7 -","2","1","","Saha, Binoy K.; Nangia, Ashwini","Self-assembled organic tubular host for van der Waals guest inclusion","CrystEngComm","2006","8","6","440","","10.1039/b602000n","","","0.71073","MoKα","","0.0625","0.0455","","","0.1079","0.1168","","","","","","1.022","","","","has coordinates","176453","2020-10-21","18:00:00","" "7203317","22.29","0.003","8.5089","0.0009","19.112","0.002","90","0.005","107.798","0.012","90","0.005","3451.4","0.7","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","(tba)(Fe(qdt)2)","","","- C32 H44 Fe N5 S4 -","- C32 H44 Fe N5 S4 -","- C128 H176 Fe4 N20 S16 -","4","0.5","","D. Simão; J. A. Ayllón; S. Rabaça; M. J. Figueira; I. C. Santos; R. T. Henriques; M. Almeida","[Fe(qdt)2]− salts; an undimerised FeIII bisdithiolene complex stabilised by cation interactions","CrystEngComm","2006","8","9","658","","10.1039/b602268e","","","0.71069","MoKα","","0.1572","0.0503","","","0.1169","0.1438","","","","","","0.962","","","","has coordinates","180364","2020-10-21","18:00:00","" "7203318","10.6406","0.0012","11.3943","0.001","15.4041","0.0019","100.228","0.009","91.538","0.008","100.917","0.008","1801.1","0.3","293","2","295","2","","","","","","","","6","P -1","-P 1","2","(Ph)4As(Fe(qdt)2)","","","- C80 H56 As2 Fe2 N8 S8 -","- C80 H56 As2 Fe2 N8 S8 -","- C80 H56 As2 Fe2 N8 S8 -","1","0.5","","D. Simão; J. A. Ayllón; S. Rabaça; M. J. Figueira; I. C. Santos; R. T. Henriques; M. Almeida","[Fe(qdt)2]− salts; an undimerised FeIII bisdithiolene complex stabilised by cation interactions","CrystEngComm","2006","8","9","658","","10.1039/b602268e","","","0.71069","MoKα","","0.1233","0.0537","","","0.0821","0.0945","","","","","","0.949","","","","has coordinates","180364","2020-10-21","18:00:00","" "7203319","19.6228","0.0008","10.4307","0.0004","12.7867","0.0005","90","","90","","90","","2617.18","0.18","123","2","123","2","","","","","","","","4","P n n a","-P 2a 2bc","52","silver(I) 2-methylimidazolate","","","- C22 H26 Ag4 N8 -","- C22 H26 Ag4 N8 -","- C88 H104 Ag16 N32 -","4","0.5","","Huang, Xiao-Chun; Li, Dan; Chen, Xiao-Ming","Solvent-induced supramolecular isomerism in silver(i) 2-methylimidazolate","CrystEngComm","2006","8","4","351","","10.1039/b602465c","","","0.71073","mokα","","0.0274","0.0249","","","0.0642","0.0656","","","","","","1.048","","","","has coordinates","180364","2020-10-21","18:00:00","" "7203320","12.6836","0.0016","19.726","0.002","11.1137","0.0013","90","","101.835","0.003","90","","2721.5","0.5","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H30 Ag4 N8 -","- C24 H30 Ag4 N8 -","- C96 H120 Ag16 N32 -","4","1","","Huang, Xiao-Chun; Li, Dan; Chen, Xiao-Ming","Solvent-induced supramolecular isomerism in silver(i) 2-methylimidazolate","CrystEngComm","2006","8","4","351","","10.1039/b602465c","","","0.71073","MoKα","","0.0507","0.0423","","","0.1048","0.1094","","","","","","1.047","","","","has coordinates,has disorder","180364","2020-10-21","18:00:00","" "7203321","7.8906","0.0007","5.9706","0.0005","10.8708","0.0009","90","","92.452","0.001","90","","511.67","0.08","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C4 H5 Ag N2 -","- C4 H5 Ag N2 -","- C16 H20 Ag4 N8 -","4","1","","Huang, Xiao-Chun; Li, Dan; Chen, Xiao-Ming","Solvent-induced supramolecular isomerism in silver(i) 2-methylimidazolate","CrystEngComm","2006","8","4","351","","10.1039/b602465c","","","0.71073","MoKα","","0.0316","0.026","","","0.0506","0.0533","","","","","","1.047","","","","has coordinates","176453","2020-10-21","18:00:00","" "7203322","6.9605","0.0014","7.3662","0.0015","8.6496","0.0017","113.41","0.03","91.97","0.03","98.06","0.03","400.98","0.17","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H10 Cl6 N2 Pd -","- C10 H10 Cl6 N2 Pd -","- C10 H10 Cl6 N2 Pd -","1","0.5","","Fiorenzo Zordan; Guillermo Mínguez Espallargas; Lee Brammer","Unexpected structural homologies involving hydrogen-bonded and halogen-bonded networks in halopyridinium halometallate salts","CrystEngComm","2006","8","5","425","","10.1039/b602518h","","","0.71073","MoKα","","0.0537","0.0512","","","0.1497","0.1518","","","","","","1.163","","","","has coordinates","180364","2020-10-21","18:00:00","" "7203323","3.8783","0.0009","11.217","0.003","12.564","0.003","103.511","0.004","93.34","0.005","99.507","0.004","521.5","0.2","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H10 Cl10 Cu3 N2 -","- C10 H10 Cl10 Cu3 N2 -","- C10 H10 Cl10 Cu3 N2 -","1","0.5","","Fiorenzo Zordan; Guillermo Mínguez Espallargas; Lee Brammer","Unexpected structural homologies involving hydrogen-bonded and halogen-bonded networks in halopyridinium halometallate salts","CrystEngComm","2006","8","5","425","","10.1039/b602518h","","","0.71073","MoKα","","0.0822","0.0726","","","0.1985","0.2084","","","","","","1.122","","","","has coordinates","180364","2020-10-21","18:00:00","" "7203324","8.5802","0.001","16.7418","0.0019","7.0007","0.0008","90","","112.504","0.002","90","","929.06","0.19","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H10 Br2 Cl6 N2 Pt -","- C10 H10 Br2 Cl6 N2 Pt -","- C20 H20 Br4 Cl12 N4 Pt2 -","2","0.5","","Fiorenzo Zordan; Guillermo Mínguez Espallargas; Lee Brammer","Unexpected structural homologies involving hydrogen-bonded and halogen-bonded networks in halopyridinium halometallate salts","CrystEngComm","2006","8","5","425","","10.1039/b602518h","","","0.71073","MoKα","","0.0554","0.0508","","","0.1651","0.1685","","","","","","1.137","","","","has coordinates","180364","2020-10-21","18:00:00","" "7203339","7.478","0.001","25.381","0.005","13.776","0.003","90","","90.7","0.02","90","","2614.5","0.8","93.2","","","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C57 H92 O10 -","- C57 H92 O10 -","- C114 H184 O20 -","2","1","","Nakano, Kazunori; Sada, Kazuki; Aburaya, Kazuaki; Nakagawa, Kenji; Yoswathananont, Nungruethai; Tohnai, Norimitsu; Miyata, Mikiji","Guest-induced inversion of an asymmetric host layer in inclusion crystals of cholic acid","CrystEngComm","2006","8","6","461","","10.1039/b602862d","","","1.5419","CuKα","","","0.0659","","","","0.168","","","","","","1.63","","","","has coordinates","202017","2020-10-21","18:00:00","" "7203340","7.465","0.0001","25.3714","0.0005","13.7625","0.0003","90","","90.605","0.001","90","","2606.44","0.08","93.2","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C56 H89 Cl O10 -","- C56 H89 Cl O10 -","- C112 H178 Cl2 O20 -","2","1","","Nakano, Kazunori; Sada, Kazuki; Aburaya, Kazuaki; Nakagawa, Kenji; Yoswathananont, Nungruethai; Tohnai, Norimitsu; Miyata, Mikiji","Guest-induced inversion of an asymmetric host layer in inclusion crystals of cholic acid","CrystEngComm","2006","8","6","461","","10.1039/b602862d","","","1.5419","CuKα","","","0.0994","","","","0.2495","","","","","","2.539","","","","has coordinates","202017","2020-10-21","18:00:00","" "7203341","7.463","0.001","25.378","0.003","13.764","0.002","90","","90.63","0.01","90","","2606.7","0.6","93.2","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C55 H86 Cl2 O10 -","- C55 H86 Cl2 O10 -","- C110 H172 Cl4 O20 -","2","1","","Nakano, Kazunori; Sada, Kazuki; Aburaya, Kazuaki; Nakagawa, Kenji; Yoswathananont, Nungruethai; Tohnai, Norimitsu; Miyata, Mikiji","Guest-induced inversion of an asymmetric host layer in inclusion crystals of cholic acid","CrystEngComm","2006","8","6","461","","10.1039/b602862d","","","1.5419","CuKα","","","0.0826","","","","0.217","","","","","","2.007","","","","has coordinates","202017","2020-10-21","18:00:00","" "7203342","7.453","0.001","25.368","0.004","13.763","0.002","90","","90.51","0.02","90","","2602","0.7","93.2","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C55 H86 Cl2 O10 -","- C55 H86 Cl2 O10 -","- C110 H172 Cl4 O20 -","2","1","","Nakano, Kazunori; Sada, Kazuki; Aburaya, Kazuaki; Nakagawa, Kenji; Yoswathananont, Nungruethai; Tohnai, Norimitsu; Miyata, Mikiji","Guest-induced inversion of an asymmetric host layer in inclusion crystals of cholic acid","CrystEngComm","2006","8","6","461","","10.1039/b602862d","","","1.5419","CuKα","","","0.0636","","","","0.166","","","","","","1.197","","","","has coordinates","202017","2020-10-21","18:00:00","" "7203343","7.475","0.002","25.385","0.007","13.809","0.004","90","","90.67","0.02","90","","2620.1","1.3","93.2","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C56 H89 Br O10 -","- C55 H86 Br O10 -","- C110 H172 Br2 O20 -","2","1","","Nakano, Kazunori; Sada, Kazuki; Aburaya, Kazuaki; Nakagawa, Kenji; Yoswathananont, Nungruethai; Tohnai, Norimitsu; Miyata, Mikiji","Guest-induced inversion of an asymmetric host layer in inclusion crystals of cholic acid","CrystEngComm","2006","8","6","461","","10.1039/b602862d","","","1.5419","CuKα","","","0.0924","","","","0.2567","","","","","","2.594","","","","has coordinates","176453","2020-10-21","18:00:00","" "7203344","13.625","0.003","7.745","0.001","15.218","0.003","90","","112.357","0.008","90","","1485.2","0.5","203.2","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C32 H51 N O5 -","- C32 H51 N O5 -","- C64 H102 N2 O10 -","2","1","","Nakano, Kazunori; Sada, Kazuki; Aburaya, Kazuaki; Nakagawa, Kenji; Yoswathananont, Nungruethai; Tohnai, Norimitsu; Miyata, Mikiji","Guest-induced inversion of an asymmetric host layer in inclusion crystals of cholic acid","CrystEngComm","2006","8","6","461","","10.1039/b602862d","","","1.5418","CuKα","","","0.104","","","","0.2842","","","","","","1.101","","","","has coordinates","202017","2020-10-21","18:00:00","" "7203345","11.9707","0.0009","8.069","0.0005","16.22","0.001","90","","111.245","0.002","90","","1460.24","0.17","198.2","","","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C33 H52 O5 -","- C33 H52 O5 -","- C66 H104 O10 -","2","1","","Nakano, Kazunori; Sada, Kazuki; Aburaya, Kazuaki; Nakagawa, Kenji; Yoswathananont, Nungruethai; Tohnai, Norimitsu; Miyata, Mikiji","Guest-induced inversion of an asymmetric host layer in inclusion crystals of cholic acid","CrystEngComm","2006","8","6","461","","10.1039/b602862d","","","1.5418","CuKα","","","0.0793","","","","0.1951","","","","","","1.377","","","","has coordinates","202017","2020-10-21","18:00:00","" "7203346","12.078","0.001","8.0989","0.0009","16.226","0.002","90","","111.031","0.006","90","","1481.5","0.3","203.2","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C32 H49 Cl O5 -","- C24 H40 O5 -","- C48 H80 O10 -","2","1","","Nakano, Kazunori; Sada, Kazuki; Aburaya, Kazuaki; Nakagawa, Kenji; Yoswathananont, Nungruethai; Tohnai, Norimitsu; Miyata, Mikiji","Guest-induced inversion of an asymmetric host layer in inclusion crystals of cholic acid","CrystEngComm","2006","8","6","461","","10.1039/b602862d","","","1.5418","CuKα","","","0.1995","","","","0.4387","","","","","","3.447","","","","has coordinates","176453","2020-10-21","18:00:00","" "7203347","12.083","0.002","8.1351","0.0005","16.265","0.001","90","","111.618","0.006","90","","1486.3","0.3","203.2","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C31 H46 Cl2 O5 -","- C31 H46 Cl2 O5 -","- C62 H92 Cl4 O10 -","2","1","","Nakano, Kazunori; Sada, Kazuki; Aburaya, Kazuaki; Nakagawa, Kenji; Yoswathananont, Nungruethai; Tohnai, Norimitsu; Miyata, Mikiji","Guest-induced inversion of an asymmetric host layer in inclusion crystals of cholic acid","CrystEngComm","2006","8","6","461","","10.1039/b602862d","","","1.5418","CuKα","","","0.0831","","","","0.2202","","","","","","1.986","","","","has coordinates","202017","2020-10-21","18:00:00","" "7203348","13.3968","0.0005","8.0808","0.0004","14.0372","0.0006","90","","104.763","0.002","90","","1469.46","0.11","296.2","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C31 H46 Cl2 O5 -","- C31 H46 Cl2 O5 -","- C62 H92 Cl4 O10 -","2","1","","Nakano, Kazunori; Sada, Kazuki; Aburaya, Kazuaki; Nakagawa, Kenji; Yoswathananont, Nungruethai; Tohnai, Norimitsu; Miyata, Mikiji","Guest-induced inversion of an asymmetric host layer in inclusion crystals of cholic acid","CrystEngComm","2006","8","6","461","","10.1039/b602862d","","","1.5418","CuKα","","","0.0798","","","","0.1913","","","","","","1.575","","","","has coordinates","202017","2020-10-21","18:00:00","" "7203349","11.9681","0.0006","8.1491","0.0003","16.3101","0.0007","90","","111.379","0.002","90","","1481.25","0.11","203.2","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C32 H49 Br O5 -","- C32 H49 Br O5 -","- C64 H98 Br2 O10 -","2","1","","Nakano, Kazunori; Sada, Kazuki; Aburaya, Kazuaki; Nakagawa, Kenji; Yoswathananont, Nungruethai; Tohnai, Norimitsu; Miyata, Mikiji","Guest-induced inversion of an asymmetric host layer in inclusion crystals of cholic acid","CrystEngComm","2006","8","6","461","","10.1039/b602862d","","","1.5418","CuKα","","","0.0592","","","","0.1436","","","","","","1.569","","","","has coordinates","202017","2020-10-21","18:00:00","" "7203350","7.3178","0.0002","25.8105","0.0006","13.6157","0.0003","90","","90.889","0.001","90","","2571.37","0.11","93.2","","","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C57 H92 O8 -","- C57 H92 O8 -","- C114 H184 O16 -","2","1","","Nakano, Kazunori; Sada, Kazuki; Aburaya, Kazuaki; Nakagawa, Kenji; Yoswathananont, Nungruethai; Tohnai, Norimitsu; Miyata, Mikiji","Guest-induced inversion of an asymmetric host layer in inclusion crystals of cholic acid","CrystEngComm","2006","8","6","461","","10.1039/b602862d","","","1.5419","CuKα","","","0.094","","","","0.2027","","","","","","1.374","","","","has coordinates","202017","2020-10-21","18:00:00","" "7203354","7.4288","0.0008","10.2892","0.0011","22.174","0.002","90","","97.553","0.002","90","","1680.2","0.3","150","2","150","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C38 H62 O5 -","- C38 H62 O5 -","- C76 H124 O10 -","2","1","","Hulme, Ashley T.; Lancaster, Robert W.; Cannon, Hilary F.","Clarification of the crystalline forms of androsterone","CrystEngComm","2006","8","4","309","","10.1039/b602909d","","","0.71073","MoKα","","0.0648","0.053","","","0.1105","0.1168","","","","","","1.084","","","","has coordinates","202017","2020-10-21","18:00:00","" "7203355","9.4045","0.0009","7.9586","0.0008","11.6746","0.0012","90","","111.274","0.002","90","","814.26","0.14","150","2","150","2","","","","","","","","3","P 1 21 1","P 2yb","4","Androsterone","Androsterone","","- C19 H30 O2 -","- C19 H30 O2 -","- C38 H60 O4 -","2","1","","Hulme, Ashley T.; Lancaster, Robert W.; Cannon, Hilary F.","Clarification of the crystalline forms of androsterone","CrystEngComm","2006","8","4","309","","10.1039/b602909d","","","0.71073","MoKα","","0.0438","0.041","","","0.1023","0.1049","","","","","","1.043","","","","has coordinates","202017","2020-10-21","18:00:00","" "7203368","23.862","0.002","13.2641","0.0011","12.2213","0.001","90","","116.676","0.003","90","","3456.4","0.5","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","4,6-Dioxo-5,5-diethylenepyrimidine-2-isobutylurea","4,6-Dioxo-5,5-diethylenepyrimidine-2-isobutylurea","","- C15 H21 N4 O3 -","- C15 H21 N4 O3 -","- C120 H168 N32 O24 -","8","1","","Spencer, Elinor C.; Howard, Judith A. K.; Baruah, Pranjal K.; Sanjayan, Gangadhar J.","The solid-state behaviour of 4,6-dioxo-5,5-diethylenepyrimidine-2-isobutylurea","CrystEngComm","2006","8","6","468","","10.1039/b603252d","","","0.71073","MoKα","","0.1386","0.094","","","0.2791","0.3113","","","","","","1.043","","","","has coordinates,has disorder","180364","2020-10-21","18:00:00","" "7203369","13.6097","0.0005","14.203","0.0005","17.5902","0.0006","91.32","0.002","95.043","0.002","98.854","0.002","3344.3","0.2","180","2","180","2","","","","","","","","4","P -1","-P 1","2","4,6-Dioxo-5,5-diethylenepyrimidine-2-isobutylurea","4,6-Dioxo-5,5-diethylenepyrimidine-2-isobutylurea","","- C15 H22 N4 O3 -","- C15 H22 N4 O3 -","- C120 H176 N32 O24 -","8","4","","Spencer, Elinor C.; Howard, Judith A. K.; Baruah, Pranjal K.; Sanjayan, Gangadhar J.","The solid-state behaviour of 4,6-dioxo-5,5-diethylenepyrimidine-2-isobutylurea","CrystEngComm","2006","8","6","468","","10.1039/b603252d","","","0.71073","MoKα","","0.1063","0.0626","","","0.1558","0.1739","","","","","","1.025","","","","has coordinates,has disorder","180364","2020-10-21","18:00:00","" "7203370","12.067","0.0006","13.866","0.0007","17.6218","0.0009","73.608","0.002","71.557","0.002","66.84","0.002","2529.2","0.2","180","2","180","2","","","","","","","","4","P -1","-P 1","2","4,6-Dioxo-5,5-diethylenepyrimidine-2-isobutylurea","4,6-Dioxo-5,5-diethylenepyrimidine-2-isobutylurea","","- C15 H21.67 N4 O3 -","- C15 H21.6667 N4 O3 -","- C90 H130 N24 O18 -","6","3","","Spencer, Elinor C.; Howard, Judith A. K.; Baruah, Pranjal K.; Sanjayan, Gangadhar J.","The solid-state behaviour of 4,6-dioxo-5,5-diethylenepyrimidine-2-isobutylurea","CrystEngComm","2006","8","6","468","","10.1039/b603252d","","","0.71073","MoKα","","0.1709","0.0669","","","0.1472","0.1811","","","","","","0.946","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00","" "7203371","10.276","0.003","9.891","0.002","13.244","0.003","90","","90.573","0.005","90","","1346.1","0.6","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H18 Cu N2 O4 -","- C12 H18 Cu N2 O4 -","- C48 H72 Cu4 N8 O16 -","4","1","","Hawxwell, Samuel M.; Brammer, Lee","Solvent hydrolysis leads to an unusual Cu(ii) metal‒organic framework","CrystEngComm","2006","8","6","473","","10.1039/b603274e","","","0.71073","MoKα","","0.1087","0.0651","","","0.1883","0.2191","","","","","","1.061","","","","has coordinates","180364","2020-10-21","18:00:00","" "7203372","12.8991","0.0012","9.7403","0.0009","18.2827","0.0018","90","","108.577","0.006","90","","2177.4","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H44 N4 O18 Zn3 -","- C36 H44 N4 O18 Zn3 -","- C72 H88 N8 O36 Zn6 -","2","0.5","","Hawxwell, Samuel M.; Brammer, Lee","Solvent hydrolysis leads to an unusual Cu(ii) metal‒organic framework","CrystEngComm","2006","8","6","473","","10.1039/b603274e","","","0.846","synchrotron","","0.142","0.0668","","","0.1273","0.1451","","","","","","0.83","","","","has coordinates","180364","2020-10-21","18:00:00","" "7203373","11.0874","0.0018","9.5068","0.0015","13.959","0.002","90","","105.835","0.003","90","","1415.5","0.4","359","2","359","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","1,8-dipyridylnaphthalene form I","1,8-dipyridylnaphthalene form I","","- C20 H14 N2 -","- C20 H14 N2 -","- C80 H56 N8 -","4","1","","Mei, Xuefeng; Wolf, Christian","Conformational polymorphism of 1,8-dipyridylnaphthalene and encapsulation of chains of fused cyclic water pentamers in a hydrophobic crystal environment","CrystEngComm","2006","8","5","377","","10.1039/b603306g","","","0.71073","MoKα","","0.0879","0.0487","","","0.1081","0.1189","","","","","","1.052","","","","has coordinates","202017","2020-10-21","18:00:00","" "7203374","8.297","0.0015","9.4627","0.0017","10.316","0.0018","79.87","0.003","73.067","0.003","65.092","0.003","701.4","0.2","173","2","173","2","","","","","","","","3","P -1","-P 1","2","1,8-dipyridylnaphthalene-form II","1,8-dipyridylnaphthalene-form II","","- C20 H14 N2 -","- C20 H14 N2 -","- C40 H28 N4 -","2","1","","Mei, Xuefeng; Wolf, Christian","Conformational polymorphism of 1,8-dipyridylnaphthalene and encapsulation of chains of fused cyclic water pentamers in a hydrophobic crystal environment","CrystEngComm","2006","8","5","377","","10.1039/b603306g","","","0.71073","MoKα","","0.0541","0.043","","","0.1058","0.1109","","","","","","1.032","","","","has coordinates","202017","2020-10-21","18:00:00","" "7203375","13.356","0.003","6.92","0.0015","19.596","0.004","90","","106.203","0.004","90","","1739.2","0.6","187","2","187","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","1,8-dipyridylnaphthalene-3H2O","1,8-dipyridylnaphthalene-3H2O","","- C20 H20 N2 O3 -","- C20 H20 N2 O3 -","- C80 H80 N8 O12 -","4","1","","Mei, Xuefeng; Wolf, Christian","Conformational polymorphism of 1,8-dipyridylnaphthalene and encapsulation of chains of fused cyclic water pentamers in a hydrophobic crystal environment","CrystEngComm","2006","8","5","377","","10.1039/b603306g","","","0.71073","MoKα","","0.1007","0.0502","","","0.1226","0.1368","","","","","","1.001","","","","has coordinates","202017","2020-10-21","18:00:00","" "7203376","6.8515","0.0003","8.852","0.0006","10.5293","0.0007","80.655","0.006","75.043","0.004","70.363","0.004","579.07","0.06","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C6 H10 Cu Li2 O11 -","- C6 H10 Cu Li2 O11 -","- C12 H20 Cu2 Li4 O22 -","2","1","","Fernando S. Delgado; Catalina Ruiz-Pérez; Joaquín Sanchiz; Francesc Lloret; Miguel Julve","Versatile supramolecular self-assembly. Part I. Network formation and magnetic behaviour of the alkaline salts of the bis(malonate)cuprate(II) anion","CrystEngComm","2006","8","7","507","","10.1039/b603374a","","x-ray","0.71073","Mokα","","0.0234","0.0199","","","0.0501","0.0517","","","","","","1.114","","","","has coordinates","180364","2020-10-21","18:00:00","" "7203377","6.827","0.001","9.517","0.002","16.406","0.003","90","","90","","90","","1065.9","0.3","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C6 H8 Cu Na2 O10 -","- C6 H8 Cu Na2 O10 -","- C24 H32 Cu4 Na8 O40 -","4","0.5","","Fernando S. Delgado; Catalina Ruiz-Pérez; Joaquín Sanchiz; Francesc Lloret; Miguel Julve","Versatile supramolecular self-assembly. Part I. Network formation and magnetic behaviour of the alkaline salts of the bis(malonate)cuprate(II) anion","CrystEngComm","2006","8","7","507","","10.1039/b603374a","","","0.71069","MoKα","","0.0684","0.0368","","","0.074","0.0851","","","","","","1.092","","","","has coordinates","180364","2020-10-21","18:00:00","" "7203378","7.3985","0.0007","18.83","0.002","9.3201","0.0009","90","","90","","90","","1298.4","0.2","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C6 H10 Cu K2 O11 -","- C6 H4 Cu K2 O11 -","- C24 H16 Cu4 K8 O44 -","4","0.5","","Fernando S. Delgado; Catalina Ruiz-Pérez; Joaquín Sanchiz; Francesc Lloret; Miguel Julve","Versatile supramolecular self-assembly. Part I. Network formation and magnetic behaviour of the alkaline salts of the bis(malonate)cuprate(II) anion","CrystEngComm","2006","8","7","507","","10.1039/b603374a","","","0.71069","MoKα","","0.059","0.0341","","","0.0889","0.0981","","","","","","1.076","","","","has coordinates","180364","2020-10-21","18:00:00","" "7203379","7.2224","0.0006","9.4647","0.0005","17.017","0.002","90","","90","","90","","1163.25","0.18","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C6 H6 Cu O9 Rb2 -","- C6 H4 Cu O9 Rb2 -","- C24 H16 Cu4 O36 Rb8 -","4","1","","Fernando S. Delgado; Catalina Ruiz-Pérez; Joaquín Sanchiz; Francesc Lloret; Miguel Julve","Versatile supramolecular self-assembly. Part I. Network formation and magnetic behaviour of the alkaline salts of the bis(malonate)cuprate(II) anion","CrystEngComm","2006","8","7","507","","10.1039/b603374a","","x-ray","0.71073","Mokα","","0.0867","0.0498","","","0.0936","0.1037","","","","","","1.034","","","","has coordinates","180364","2020-10-21","18:00:00","" "7203380","7.1166","0.0006","7.1316","0.0009","7.5211","0.0006","87.334","0.008","79.428","0.007","86.698","0.008","374.36","0.06","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C3 H8 Cs Cu O6 -","- C3 H2 Cs Cu0.5 O6 -","- C6 H4 Cs2 Cu O12 -","2","1","","Fernando S. Delgado; Catalina Ruiz-Pérez; Joaquín Sanchiz; Francesc Lloret; Miguel Julve","Versatile supramolecular self-assembly. Part I. Network formation and magnetic behaviour of the alkaline salts of the bis(malonate)cuprate(II) anion","CrystEngComm","2006","8","7","507","","10.1039/b603374a","","","0.71069","MoKα","","0.0336","0.0287","","","0.0767","0.079","","","","","","1.091","","","","has coordinates","180364","2020-10-21","18:00:00","" "7203389","9.5012","0.0006","18.1017","0.0012","21.8277","0.0014","70.056","0.001","82.32","0.001","83.134","0.001","3486.3","0.4","173","2","173","2","","","","","","","","5","P -1","-P 1","2","2*(methylpyrogall(4)arene)1*(1,3-bis(3-pyridylmethyl)-2- thiourea)1*(SO4 2-)1*H2O clathrate","2*(methylpyrogall[4]arene)1*(1,3-bis(3-pyridylmethyl)-2-thiourea)1*(SO4 2-)1*H2O clathrate","","- C77 H82 N4 O29 S2 -","- C77 H82 N4 O29 S2 -","- C154 H164 N8 O58 S4 -","2","1","","Brown, Philip O.; Enright, Gary D.; Ripmeester, John A.","Resorcinarene configuration and inclusion behaviour: Isolation of a guest free form of pyrogall[4]arene","CrystEngComm","2006","8","5","381","","10.1039/b603883b","","","0.71073","MoKα","","0.1249","0.0508","","","0.0866","0.1039","","","","","","0.887","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00","" "7203390","8.8592","0.0017","9.3271","0.0018","9.4416","0.0018","106.968","0.004","104.65","0.004","104.616","0.004","675.6","0.2","173","2","173","2","","","","","","","","3","P -1","-P 1","2","rctt-methylpyrogall(4)arene","rctt-methylpyrogall[4]arene","","- C16 H16 O6 -","- C16 H16 O6 -","- C32 H32 O12 -","2","1","","Brown, Philip O.; Enright, Gary D.; Ripmeester, John A.","Resorcinarene configuration and inclusion behaviour: Isolation of a guest free form of pyrogall[4]arene","CrystEngComm","2006","8","5","381","","10.1039/b603883b","","","0.71073","MoKα","","0.0706","0.0465","","","0.1174","0.1286","","","","","","0.996","","","","has coordinates","180364","2020-10-21","18:00:00","" "7203391","9.544","0.003","9.588","0.003","9.915","0.003","86.554","0.005","68.376","0.005","63.175","0.005","746.5","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C5 H9 N3 O3 -","- C5 H9 N3 O3 -","- C20 H36 N12 O12 -","4","2","","Braga, Dario; Cadoni, Marcella; Grepioni, Fabrizia; Maini, Lucia; Rubini, Katia","Gas?solid reactions between the different polymorphic modifications of barbituric acid and amines","CrystEngComm","2006","8","10","756","","10.1039/b603910c","","","0.71073","MoKα","","0.1752","0.0917","","","0.3044","0.3479","","","","","","1.044","","","","has coordinates","180364","2020-10-21","18:00:00","" "7203392","14.023","0.009","12.02","0.02","9.949","0.005","90","","90","","90","","1677","3","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C6 H11 N3 O3 -","- C6 H11 N3 O3 -","- C48 H88 N24 O24 -","8","1","","Braga, Dario; Cadoni, Marcella; Grepioni, Fabrizia; Maini, Lucia; Rubini, Katia","Gas?solid reactions between the different polymorphic modifications of barbituric acid and amines","CrystEngComm","2006","8","10","756","","10.1039/b603910c","","","0.71073","MoKα","","0.1003","0.0617","","","0.1416","0.1661","","","","","","0.996","","","","has coordinates","180364","2020-10-21","18:00:00","" "7203393","10.713","0.003","3.858","0.002","14.347","0.005","90","","96.15","0.03","90","","589.6","0.4","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C4 H7 N3 O3 -","- C4 H7 N3 O3 -","- C16 H28 N12 O12 -","4","1","","Braga, Dario; Cadoni, Marcella; Grepioni, Fabrizia; Maini, Lucia; Rubini, Katia","Gas?solid reactions between the different polymorphic modifications of barbituric acid and amines","CrystEngComm","2006","8","10","756","","10.1039/b603910c","","","0.71073","MoKα","","0.0751","0.0389","","","0.0974","0.1145","","","","","","1.031","","","","has coordinates","202017","2020-10-21","18:00:00","" "7203395","12.874","0.008","6.713","0.004","20.311","0.013","90","","94.651","0.01","90","","1749.6","1.9","90","0.2","90","0.2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","1-(4-fluorophenyl)-6, 6-dimethyl-2-phenyl-1, 5, 6, 7- tetrahydro-4H-indol-4-one","1-(4-fluorophenyl)-6, 6-dimethyl-2-phenyl-1, 5, 6, 7-tetrahydro-4H-indol-4-one","","- C22 H20 F N O -","- C22 H20 F N O -","- C88 H80 F4 N4 O4 -","4","1","","Choudhury, Angshuman R.; Nagarajan, Kuppuswamy; Guru Row, Tayur N.","Solvent mediated centric/non-centric polymorph pairs of an indole derivative: Subtle variation of C‒H⋯O hydrogen bonds and C‒H⋯π interactions","CrystEngComm","2006","8","6","482","","10.1039/b604118c","","","0.71073","MoKα","","0.0457","0.0391","","","0.1214","0.128","","","","","","1.033","","","","has coordinates","202017","2020-10-21","18:00:00","" "7203396","7.892","0.005","10.861","0.006","10.786","0.006","90","","109.986","0.008","90","","868.8","0.9","90","2","90","2","","","","","","","","5","P 1 21 1","P 2yb","4","1-(4-fluorophenyl)-6, 6-dimethyl-2-phenyl-1, 5, 6, 7- tetrahydro-4H-indol-4-one","1-(4-fluorophenyl)-6, 6-dimethyl-2-phenyl-1, 5, 6, 7-tetrahydro-4H-indol-4-one","","- C22 H20 F N O -","- C22 H20 F N O -","- C44 H40 F2 N2 O2 -","2","1","","Choudhury, Angshuman R.; Nagarajan, Kuppuswamy; Guru Row, Tayur N.","Solvent mediated centric/non-centric polymorph pairs of an indole derivative: Subtle variation of C‒H⋯O hydrogen bonds and C‒H⋯π interactions","CrystEngComm","2006","8","6","482","","10.1039/b604118c","","","0.71073","MoKα","","0.0283","0.0274","","","0.0723","0.0729","","","","","","1.034","","","","has coordinates","202017","2020-10-21","18:00:00","" "7203397","10.5513","0.0019","15.868","0.002","10.5844","0.0019","90","","100.578","0.006","90","","1742","0.5","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C35 H49 Cl3 N6 -","- C35 H49 Cl3 N6 -","- C70 H98 Cl6 N12 -","2","1","","Bates, Gareth W.; Kostermans, Maarten; Dehaen, Wim; Gale, Philip A.; Light, Mark E.","Organic salt inclusion: the first crystal structures of anion complexes of N-confused calix[4]pyrrole","CrystEngComm","2006","8","6","444","","10.1039/b604128k","","","0.71073","MoKα","","0.1819","0.0932","","","0.1866","0.2228","","","","","","1.019","","","","has coordinates","202017","2020-10-21","18:00:00","" "7203398","10.586","0.0011","15.88","0.0017","21.868","0.002","90","","94.452","0.002","90","","3665","0.6","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C37 H53 Cl3 N6 -","- C37 H53 Cl3 N6 -","- C148 H212 Cl12 N24 -","4","1","","Bates, Gareth W.; Kostermans, Maarten; Dehaen, Wim; Gale, Philip A.; Light, Mark E.","Organic salt inclusion: the first crystal structures of anion complexes of N-confused calix[4]pyrrole","CrystEngComm","2006","8","6","444","","10.1039/b604128k","","","0.6709","synchrotron","","0.1131","0.0813","","","0.1776","0.1925","","","","","","1.05","","","","has coordinates","202017","2020-10-21","18:00:00","" "7203404","13.8481","0.0003","16.4536","0.0002","9.1071","0.0002","90","","90","","90","","2075.06","0.07","293","2","293","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C6 H12 Cu N2 O8 -","- C6 H12 Cu N2 O8 -","- C48 H96 Cu8 N16 O64 -","8","0.5","","Fernando S. Delgado; Catalina Ruiz-Pérez; Joaquín Sanchiz; Francesc Lloret; Miguel Julve","Part II. Network formation and magnetic behaviour of copper(II) malonate anions in ammonium derivatives","CrystEngComm","2006","8","7","530","","10.1039/b604573a","","x-ray","0.71073","Mokα","","0.0244","0.0197","","","0.0479","0.0491","","","","","","1.073","","","","has coordinates","176432","2020-10-21","18:00:00","" "7203405","8.6866","0.0002","9.0585","0.0003","8.9681","0.0003","90","","115.198","0.002","90","","638.53","0.04","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H16 Cu N2 O8 -","- C8 H16 Cu N2 O8 -","- C16 H32 Cu2 N4 O16 -","2","0.5","","Fernando S. Delgado; Catalina Ruiz-Pérez; Joaquín Sanchiz; Francesc Lloret; Miguel Julve","Part II. Network formation and magnetic behaviour of copper(II) malonate anions in ammonium derivatives","CrystEngComm","2006","8","7","530","","10.1039/b604573a","","x-ray","0.71073","Mokα","","0.0298","0.0228","","","0.0594","0.062","","","","","","1.104","","","","has coordinates","180365","2020-10-21","18:00:00","" "7203406","11.67","0.002","8.408","0.002","15.323","0.003","90","","93.38","0.03","90","","1500.9","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H20 Cu N2 O11 -","- C8 H14 Cu N2 O11 -","- C32 H56 Cu4 N8 O44 -","4","1","","Fernando S. Delgado; Catalina Ruiz-Pérez; Joaquín Sanchiz; Francesc Lloret; Miguel Julve","Part II. Network formation and magnetic behaviour of copper(II) malonate anions in ammonium derivatives","CrystEngComm","2006","8","7","530","","10.1039/b604573a","","x-ray","0.71073","Mokα","","0.0484","0.0392","","","0.1018","0.1081","","","","","","1.094","","","","has coordinates","180365","2020-10-21","18:00:00","" "7203407","8.268","0.0004","16.9351","0.0009","9.4736","0.0005","90","0.005","90","0.004","90","0.004","1326.49","0.12","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C9 H16 Cu N2 O8 -","- C9 H16 Cu N2 O8 -","- C36 H64 Cu4 N8 O32 -","4","0.5","","Fernando S. Delgado; Catalina Ruiz-Pérez; Joaquín Sanchiz; Francesc Lloret; Miguel Julve","Part II. Network formation and magnetic behaviour of copper(II) malonate anions in ammonium derivatives","CrystEngComm","2006","8","7","530","","10.1039/b604573a","","x-ray","0.71073","Mokα","","0.0581","0.0426","","","0.0905","0.096","","","","","","1.106","","","","has coordinates","180365","2020-10-21","18:00:00","" "7203408","7.3346","0.0003","13.6142","0.0003","7.9365","0.0003","90","","97.519","0.003","90","","785.68","0.05","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C10 H22 Cu N2 O10 -","- C10 H18 Cu N2 O10 -","- C20 H36 Cu2 N4 O20 -","2","1","","Fernando S. Delgado; Catalina Ruiz-Pérez; Joaquín Sanchiz; Francesc Lloret; Miguel Julve","Part II. Network formation and magnetic behaviour of copper(II) malonate anions in ammonium derivatives","CrystEngComm","2006","8","7","530","","10.1039/b604573a","","x-ray","0.71073","Mokα","","0.0504","0.0367","","","0.0786","0.0829","","","","","","1.046","","","","has coordinates","180365","2020-10-21","18:00:00","" "7203409","13.6559","0.0018","16.4436","0.0009","9.0876","0.0009","90","","90","","90","","2040.6","0.4","100","2","100","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C6 H12 Cu N2 O8 -","- C6 H12 Cu N2 O8 -","- C48 H96 Cu8 N16 O64 -","8","0.5","","Fernando S. Delgado; Catalina Ruiz-Pérez; Joaquín Sanchiz; Francesc Lloret; Miguel Julve","Part II. Network formation and magnetic behaviour of copper(II) malonate anions in ammonium derivatives","CrystEngComm","2006","8","7","530","","10.1039/b604573a","","x-ray","0.71073","Mokα","","0.0261","0.0226","","","0.0499","0.0508","","","","","","1.08","","","","has coordinates","176432","2020-10-21","18:00:00","" "7203416","7.776","0.0008","11.0545","0.0011","56.587","0.006","90","","90","","90","","4864.2","0.9","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","distrychninium N-4-nitrobenzoyl-D-glutamate tetrahydrate","","- C54 H64 N6 O15 -","- C54 H64 N6 O15 -","- C216 H256 N24 O60 -","4","1","","Agata Białońska; Zbigniew Ciunik","Hydrophilic and hydrophobic pockets at surfaces of strychninium self-assemblies in pseudopolymorphous crystals of strychninium salts","CrystEngComm","2006","8","8","640","","10.1039/b605203g","","","1.5418","CuKα","","0.0796","0.0633","","","0.1539","0.1689","","","","","","1.001","","","","has coordinates","202017","2020-10-21","18:00:00","" "7203417","13.3317","0.0003","23.5623","0.0003","29.911","0.0006","90","","93.319","0.001","90","","9380","0.3","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","Compound CS121","","","- C12 H105 Mo12 N36 Na O73 P8 -","- C12 H76 Mo12 N36 Na O72.7 P8 -","- C48 H304 Mo48 N144 Na4 O290.8 P32 -","4","1","","Streb, Carsten; Long, De-Liang; Cronin, Leroy","Influence of organic amines on the self-assembly of hybrid polyoxo-molybdenum(v) phosphate frameworks","CrystEngComm","2006","8","8","629","","10.1039/b605285a","","","0.71073","MoKα","","0.0814","0.0436","","","0.0977","0.1096","","","","","","1.035","","","","has coordinates","180365","2020-10-21","18:00:00","" "7203418","16.9408","0.0004","17.8534","0.0002","26.8981","0.0005","95.992","0.001","90.013","0.001","113.569","0.001","7408.1","0.2","293","2","293","2","","","","","","","","7","P -1","-P 1","2","Compound CS120","","","- C56 H119 Mo12 N42 Na O75 P8 -","- C56 H58 Mo12 N42 Na O74 P8 -","- C112 H116 Mo24 N84 Na2 O148 P16 -","2","1","","Streb, Carsten; Long, De-Liang; Cronin, Leroy","Influence of organic amines on the self-assembly of hybrid polyoxo-molybdenum(v) phosphate frameworks","CrystEngComm","2006","8","8","629","","10.1039/b605285a","","","0.71073","MoKα","","0.1025","0.0787","","","0.2098","0.2252","","","","","","1.05","","","","has coordinates","180365","2020-10-21","18:00:00","" "7203419","13.4228","0.0002","13.4215","0.0003","14.7383","0.0003","98.443","0.001","104.914","0.001","119.049","0.001","2123.7","0.08","150","2","150","2","","","","","","","","7","P -1","-P 1","2","Compound CS107","","","- C12 H105 Mo12 N12 Na3 O80 P8 -","- C12 Mo12 N12 Na3 O80 P8 -","- C12 Mo12 N12 Na3 O80 P8 -","1","0.5","","Streb, Carsten; Long, De-Liang; Cronin, Leroy","Influence of organic amines on the self-assembly of hybrid polyoxo-molybdenum(v) phosphate frameworks","CrystEngComm","2006","8","8","629","","10.1039/b605285a","","","0.71073","MoKα","","0.0384","0.0336","","","0.0819","0.0841","","","","","","1.074","","","","has coordinates,has disorder","180365","2020-10-21","18:00:00","" "7203432","11.1587","0.0004","18.9115","0.0007","10.3217","0.0004","90","","109.832","0.001","90","","2048.98","0.13","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","4-amino-2-methyl-4'-hydroxydiphenyl","4-amino-2-methyl-4'-hydroxydiphenyl","","- C13 H13 N O -","- C13 H13 N O -","- C104 H104 N8 O8 -","8","2","","Dey, Archan; Desiraju, Gautam R.","Dimorphs of 4′-amino-4-hydroxy-2′-methylbiphenyl: Assessment of likelihood of polymorphism in flexible molecules","CrystEngComm","2006","8","6","477","","10.1039/b605751a","","","0.71073","MoKα","","0.0771","0.042","","","0.1027","0.1172","","","","","","1.019","","","","has coordinates","176432","2020-10-21","18:00:00","" "7203433","11.1587","0.0002","9.5748","0.0002","19.9175","0.0004","90","","96.332","0.001","90","","2115.05","0.07","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","4-amino-2-methyl-4'-hydroxydiphenyl","","- C13 H13 N O -","- C13 H13 N O -","- C104 H104 N8 O8 -","8","2","","Dey, Archan; Desiraju, Gautam R.","Dimorphs of 4′-amino-4-hydroxy-2′-methylbiphenyl: Assessment of likelihood of polymorphism in flexible molecules","CrystEngComm","2006","8","6","477","","10.1039/b605751a","","","0.71073","MoKα","","0.0805","0.0406","","","0.0984","0.1171","","","","","","0.958","","","","has coordinates","176432","2020-10-21","18:00:00","" "7203434","8.898","0.003","8.898","0.003","7.679","0.003","90","","90","","90","","608","0.4","293","2","293","2","","","","","","","","6","P -4","P -4","81","","","","- C12 H16 Ca Co2 N4 O16 -","- C12 H16 Ca Co2 N4 O16 -","- C12 H16 Ca Co2 N4 O16 -","1","0.25","","Cédric Borel; Mikael Håkansson; Lars Öhrström","Coordination bonds and strong hydrogen bonds giving a framework material based on a 4- and 8-connected net in [Ca[Co(en)(oxalato)2]2]n","CrystEngComm","2006","8","9","666","","10.1039/b605762d","","","0.71073","MoKα","","0.0716","0.0685","","","0.178","0.1823","","","","","","1.114","","","","has coordinates","180365","2020-10-21","18:00:00","" "7203435","10.956","0.002","27.56","0.006","31.9","0.006","90","","90","","90","","9632","3","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C78 H82 N24 O18 Pr2 Ru3 -","- C78 H46 N24 O18 Pr2 Ru3 -","- C312 H184 N96 O72 Pr8 Ru12 -","4","1","","Baca, Svetlana G.; Adams, Harry; Ward, Michael D.","Three-component coordination networks based on [Ru(phen)(CN)4]2? anions, lanthanide(iii) cations and ancillary oligopyridine ligands","CrystEngComm","2006","8","8","635","","10.1039/b605990m","","","0.71073","MoKα","","0.062","0.0494","","","0.1396","0.1491","","","","","","1.076","","","","has coordinates,has disorder","180365","2020-10-21","18:00:00","" "7203436","14.273","0.0007","27.8052","0.0014","17.0891","0.0009","90","","101.957","0.002","90","","6634.9","0.6","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C56 H60 K N16 O14 Ru2 Yb -","- C56 H42 K N16 O14 Ru2 Yb -","- C224 H168 K4 N64 O56 Ru8 Yb4 -","4","1","","Baca, Svetlana G.; Adams, Harry; Ward, Michael D.","Three-component coordination networks based on [Ru(phen)(CN)4]2? anions, lanthanide(iii) cations and ancillary oligopyridine ligands","CrystEngComm","2006","8","8","635","","10.1039/b605990m","","","0.71073","MoKα","","0.0864","0.0565","","","0.1558","0.1726","","","","","","1.053","","","","has coordinates,has disorder","180365","2020-10-21","18:00:00","" "7203437","21.5398","0.0008","26.248","0.0008","17.1392","0.0007","90","","90","","90","","9690.1","0.6","150","2","150","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C39 H51 N12 O14 Pr Ru1.5 -","- C39 H23 N12 O14 Pr Ru1.5 -","- C312 H184 N96 O112 Pr8 Ru12 -","8","1","","Baca, Svetlana G.; Adams, Harry; Ward, Michael D.","Three-component coordination networks based on [Ru(phen)(CN)4]2? anions, lanthanide(iii) cations and ancillary oligopyridine ligands","CrystEngComm","2006","8","8","635","","10.1039/b605990m","","","0.71073","MoKα","","0.1216","0.0797","","","0.1964","0.2167","","","","","","1.102","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00","" "7203444","19.045","0.003","16.627","0.002","18.618","0.003","90","","118.047","0.008","90","","5203.2","1.4","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","hexyl bromo calixarene, acetonitrile","hexyl bromo calixarene, acetonitrile","","- C54 H63 I4 N O8 -","- C54 H63 I4 N O8 -","- C216 H252 I16 N4 O32 -","4","1","","Christer B. Aakeröy; Nate Schultheiss; John Desper","A pyridyl-functionalized cavitand: Starting point for hydrogen-bond driven assembly of heterodimeric capsules","CrystEngComm","2006","8","7","502","","10.1039/b606207e","","","0.71073","MoKα","","0.1","0.0449","","","0.0956","0.12","","","","","","1.013","","","","has coordinates","180365","2020-10-21","18:00:00","" "7203445","25.359","0.002","22.2099","0.0019","12.1129","0.001","90","","90","","90","","6822.2","1","100","2","100","2","","","","","","","","4","P n n a","-P 2a 2bc","52","tetra-(3-pyridyl)ethynyl calixarene","tetra-(3-pyridyl)ethynyl calixarene","","- C82 H83 N5 O10 -","- C82 H83 N5 O10 -","- C328 H332 N20 O40 -","4","0.5","","Christer B. Aakeröy; Nate Schultheiss; John Desper","A pyridyl-functionalized cavitand: Starting point for hydrogen-bond driven assembly of heterodimeric capsules","CrystEngComm","2006","8","7","502","","10.1039/b606207e","","","0.71073","MoKα","","0.0638","0.0558","","","0.1338","0.1401","","","","","","1.076","","","","has coordinates","180365","2020-10-21","18:00:00","" "7203446","18.2204","0.001","19.0609","0.0013","19.287","0.0014","105.18","0.01","113.6","0.01","108.25","0.01","5220.5","1.2","220","2","220","2","","","","","","","","3","P -1","-P 1","2","(4-ethynyl-phenyl)-dimethyl-amine","(4-ethynyl-phenyl)-dimethyl-amine","","- C10 H11 N -","- C10 H11 N -","- C240 H264 N24 -","24","12","","Andrei S. Batsanov; Jonathan C. Collings; Richard M. Ward; Andrés E. Goeta; Laurent Porrès; Andrew Beeby; Judith A. K. Howard; Jonathan W. Steed; Todd B. Marder","Part 2. Structures of 4-trimethylsilylethynyl-N,N-dimethylaniline, and 4-ethynyl-N,N-dimethylaniline with Z′ = 12 and a single-crystal to single-crystal phase transition at 122.5 ± 2 K","CrystEngComm","2006","8","8","622","","10.1039/b606327f","","","0.71073","MoKα","","0.1373","0.0504","","","0.126","0.1664","","","","","","0.877","","","","has coordinates","180365","2020-10-21","18:00:00","" "7203447","17.412","0.001","18.845","0.001","19.252","0.001","105.84","0.01","104.51","0.01","112.99","0.01","5119.4","1","120","2","120","2","","","","","","","","3","P -1","-P 1","2","(4-ethynyl-phenyl)-dimethyl-amine","(4-ethynyl-phenyl)-dimethyl-amine","","- C10 H11 N -","- C10 H11 N -","- C240 H264 N24 -","24","12","","Andrei S. Batsanov; Jonathan C. Collings; Richard M. Ward; Andrés E. Goeta; Laurent Porrès; Andrew Beeby; Judith A. K. Howard; Jonathan W. Steed; Todd B. Marder","Part 2. Structures of 4-trimethylsilylethynyl-N,N-dimethylaniline, and 4-ethynyl-N,N-dimethylaniline with Z′ = 12 and a single-crystal to single-crystal phase transition at 122.5 ± 2 K","CrystEngComm","2006","8","8","622","","10.1039/b606327f","","","0.71073","MoKα","","0.1749","0.0585","","","0.1068","0.1481","","","","","","0.912","","","","has coordinates","180365","2020-10-21","18:00:00","" "7203448","13.015","0.002","9.581","0.003","32.611","0.006","90","","90","","90","","4066.5","1.6","120","2","120","2","","","","","","","","4","P n m a","-P 2ac 2n","62","N,N'-dimethyl-4-((trimethylsilyl)ethynyl)-aniline","N,N'-dimethyl-4-[(trimethylsilyl)ethynyl]-aniline","","- C13 H19 N Si -","- C13 H19 N Si -","- C156 H228 N12 Si12 -","12","1.5","","Andrei S. Batsanov; Jonathan C. Collings; Richard M. Ward; Andrés E. Goeta; Laurent Porrès; Andrew Beeby; Judith A. K. Howard; Jonathan W. Steed; Todd B. Marder","Part 2. Structures of 4-trimethylsilylethynyl-N,N-dimethylaniline, and 4-ethynyl-N,N-dimethylaniline with Z′ = 12 and a single-crystal to single-crystal phase transition at 122.5 ± 2 K","CrystEngComm","2006","8","8","622","","10.1039/b606327f","","","0.71073","MoKα","","0.0506","0.0379","","","0.0952","0.1005","","","","","","1.009","","","","has coordinates","180365","2020-10-21","18:00:00","" "7203449","9.139","0.003","10.665","0.004","14.968","0.006","103.458","0.006","96.406","0.007","97.493","0.007","1391.4","0.9","294","2","294","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H26 Co N6 O2 S2 -","- C27 H26 Co N6 O2 S2 -","- C54 H52 Co2 N12 O4 S4 -","2","1","","Du, Miao; Li, Cheng-Peng; Zhao, Xiao-Jun","Hierarchical regulated assembly of new metallosupramolecular networks based on metal thiocyanate and trans-1-(2-pyridyl)-2-(4-pyridyl)ethylene (bpe)via multiple interactions","CrystEngComm","2006","8","7","552","","10.1039/b606400k","","","0.71073","MoKα","","0.0919","0.0527","","","0.1015","0.1207","","","","","","1.061","","","","has coordinates,has disorder","180365","2020-10-21","18:00:00","" "7203450","9.0804","0.0012","10.663","0.0013","14.8873","0.0019","103.457","0.002","96.601","0.002","97.377","0.002","1374.5","0.3","294","2","294","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H26 N6 Ni O2 S2 -","- C27 H26 N6 Ni O2 S2 -","- C54 H52 N12 Ni2 O4 S4 -","2","1","","Du, Miao; Li, Cheng-Peng; Zhao, Xiao-Jun","Hierarchical regulated assembly of new metallosupramolecular networks based on metal thiocyanate and trans-1-(2-pyridyl)-2-(4-pyridyl)ethylene (bpe)via multiple interactions","CrystEngComm","2006","8","7","552","","10.1039/b606400k","","","0.71073","MoKα","","0.0678","0.0421","","","0.1028","0.1123","","","","","","1.038","","","","has coordinates,has disorder","180365","2020-10-21","18:00:00","" "7203451","9.4775","0.0018","13.038","0.003","17.523","0.003","75.595","0.002","75.36","0.002","71.835","0.002","1956.2","0.7","294","2","294","2","","","","","","","","6","P -1","-P 1","2","","","","- C80 H68 Cu3 N18 O2 S6 -","- C80 H68 Cu3 N18 O2 S6 -","- C80 H68 Cu3 N18 O2 S6 -","1","0.5","","Du, Miao; Li, Cheng-Peng; Zhao, Xiao-Jun","Hierarchical regulated assembly of new metallosupramolecular networks based on metal thiocyanate and trans-1-(2-pyridyl)-2-(4-pyridyl)ethylene (bpe)via multiple interactions","CrystEngComm","2006","8","7","552","","10.1039/b606400k","","","0.71073","MoKα","","0.0875","0.0485","","","0.1122","0.1305","","","","","","1.029","","","","has coordinates,has disorder","180365","2020-10-21","18:00:00","" "7203452","9.708","0.003","12.9","0.004","17.142","0.006","71.91","0.005","75.596","0.005","71.955","0.005","1912.4","1.1","294","2","294","2","","","","","","","","6","P -1","-P 1","2","","","","- C78 H64 Cu3 N18 O2 S6 -","- C78 H64 Cu3 N18 O2 S6 -","- C78 H64 Cu3 N18 O2 S6 -","1","0.5","","Du, Miao; Li, Cheng-Peng; Zhao, Xiao-Jun","Hierarchical regulated assembly of new metallosupramolecular networks based on metal thiocyanate and trans-1-(2-pyridyl)-2-(4-pyridyl)ethylene (bpe)via multiple interactions","CrystEngComm","2006","8","7","552","","10.1039/b606400k","","","","MoKα","","0.0857","0.0474","","","0.1199","0.1324","","","","","","1.017","","","","has coordinates,has disorder","180365","2020-10-21","18:00:00","" "7203453","7.845","0.004","10.255","0.004","17.677","0.007","78.625","0.006","83.681","0.006","78.665","0.004","1363.2","1","294","2","294","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H24 Fe N6 O2 S2 -","- C26 H24 Fe N6 O2 S2 -","- C52 H48 Fe2 N12 O4 S4 -","2","1","","Du, Miao; Li, Cheng-Peng; Zhao, Xiao-Jun","Hierarchical regulated assembly of new metallosupramolecular networks based on metal thiocyanate and trans-1-(2-pyridyl)-2-(4-pyridyl)ethylene (bpe)via multiple interactions","CrystEngComm","2006","8","7","552","","10.1039/b606400k","","","0.71073","MoKα","","0.0753","0.0489","","","0.1329","0.1476","","","","","","1.139","","","","has coordinates,has disorder","180365","2020-10-21","18:00:00","" "7203454","15.976","0.006","7.232","0.003","13.109","0.005","90","","95.374","0.004","90","","1507.9","1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H10 N4 Pb S2 -","- C14 H10 N4 Pb S2 -","- C56 H40 N16 Pb4 S8 -","4","1","","Du, Miao; Li, Cheng-Peng; Zhao, Xiao-Jun","Hierarchical regulated assembly of new metallosupramolecular networks based on metal thiocyanate and trans-1-(2-pyridyl)-2-(4-pyridyl)ethylene (bpe)via multiple interactions","CrystEngComm","2006","8","7","552","","10.1039/b606400k","","","0.71073","MoKα","","0.0597","0.056","","","0.1662","0.1684","","","","","","1.062","","","","has coordinates","180365","2020-10-21","18:00:00","" "7203455","12.7148","0.0008","4.4248","0.0003","11.6928","0.0007","90","","90","","90","","657.84","0.07","293","2","293","2","","","","","","","","5","I m 2 m","I -2 -2","44","","","","- C13 H14 Cl2 Co N2 -","- C13 H14 Cl2 Co N2 -","- C26 H28 Cl4 Co2 N4 -","2","0.25","","Carlucci, Lucia; Ciani, Gianfranco; Proserpio, Davide M.; Porta, Francesca","New metal?organic frameworks and supramolecular arrays assembled with the bent ditopic ligand 4,4-diaminodiphenylmethane","CrystEngComm","2006","8","9","696","","10.1039/b606482e","","","0.71073","MoKα","","0.0409","0.0264","","0.0437","0.0411","","","","0.93","","","","","","","has coordinates","180365","2020-10-21","18:00:00","" "7203456","13.3881","0.001","4.2929","0.0003","12.2521","0.0009","90","","108.273","0.002","90","","668.67","0.08","293","2","293","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C13 H14 Cd Cl2 N2 -","- C13 H14 Cd Cl2 N2 -","- C26 H28 Cd2 Cl4 N4 -","2","0.5","","Carlucci, Lucia; Ciani, Gianfranco; Proserpio, Davide M.; Porta, Francesca","New metal?organic frameworks and supramolecular arrays assembled with the bent ditopic ligand 4,4-diaminodiphenylmethane","CrystEngComm","2006","8","9","696","","10.1039/b606482e","","","0.71073","MoKα","","0.023","0.0222","","0.0561","0.0556","","","","1.083","","","","","","","has coordinates","180365","2020-10-21","18:00:00","" "7203457","25.028","0.003","4.4533","0.0005","11.8686","0.0014","90","","90","","90","","1322.8","0.3","293","2","293","2","","","","","","","","5","P c c a","-P 2a 2ac","54","","","","- C13 H14 Ag N3 O3 -","- C13 H14 Ag N3 O3 -","- C52 H56 Ag4 N12 O12 -","4","0.5","","Carlucci, Lucia; Ciani, Gianfranco; Proserpio, Davide M.; Porta, Francesca","New metal?organic frameworks and supramolecular arrays assembled with the bent ditopic ligand 4,4-diaminodiphenylmethane","CrystEngComm","2006","8","9","696","","10.1039/b606482e","","","0.71073","MoKα","","0.0901","0.0897","","0.1402","0.1401","","","","1.401","","","","","","","has coordinates","180365","2020-10-21","18:00:00","" "7203458","12.029","0.003","11.995","0.003","9.153","0.002","90","","91.951","0.006","90","","1319.9","0.5","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H32 Cl2 N4 Ni O2 -","- C26 H32 Cl2 N4 Ni O2 -","- C52 H64 Cl4 N8 Ni2 O4 -","2","0.5","","Carlucci, Lucia; Ciani, Gianfranco; Proserpio, Davide M.; Porta, Francesca","New metal?organic frameworks and supramolecular arrays assembled with the bent ditopic ligand 4,4-diaminodiphenylmethane","CrystEngComm","2006","8","9","696","","10.1039/b606482e","","","0.71073","MoKα","","0.0593","0.047","","0.1638","0.1516","","","","1.203","","","","","","","has coordinates","180365","2020-10-21","18:00:00","" "7203459","5.66","0.001","9.323","0.003","12.687","0.004","103.6","0.02","93.39","0.02","102.01","0.02","632.3","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H32 Cl2 N4 Ni O2 -","- C26 H32 Cl2 N4 Ni O2 -","- C26 H32 Cl2 N4 Ni O2 -","1","0.5","","Carlucci, Lucia; Ciani, Gianfranco; Proserpio, Davide M.; Porta, Francesca","New metal?organic frameworks and supramolecular arrays assembled with the bent ditopic ligand 4,4-diaminodiphenylmethane","CrystEngComm","2006","8","9","696","","10.1039/b606482e","","","0.71073","MoKα","","0.1767","0.0619","","0.166","0.135","","","","0.97","","","","","","","has coordinates","180365","2020-10-21","18:00:00","" "7203460","5.6911","0.0007","9.5004","0.0012","12.7455","0.0016","104.059","0.005","92.721","0.005","102.425","0.005","649.19","0.14","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H32 Cl2 Mn N4 O2 -","- C26 H32 Cl2 Mn N4 O2 -","- C26 H32 Cl2 Mn N4 O2 -","1","0.5","","Carlucci, Lucia; Ciani, Gianfranco; Proserpio, Davide M.; Porta, Francesca","New metal?organic frameworks and supramolecular arrays assembled with the bent ditopic ligand 4,4-diaminodiphenylmethane","CrystEngComm","2006","8","9","696","","10.1039/b606482e","","","0.71073","MoKα","","0.0578","0.0385","","0.1084","0.099","","","","1.056","","","","","","","has coordinates","180365","2020-10-21","18:00:00","" "7203461","5.837","0.003","9.424","0.005","13.329","0.005","105.58","0.04","98.08","0.04","105.89","0.04","660.9","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H32 N6 Ni O8 -","- C26 H32 N6 Ni O8 -","- C26 H32 N6 Ni O8 -","1","0.5","","Carlucci, Lucia; Ciani, Gianfranco; Proserpio, Davide M.; Porta, Francesca","New metal?organic frameworks and supramolecular arrays assembled with the bent ditopic ligand 4,4-diaminodiphenylmethane","CrystEngComm","2006","8","9","696","","10.1039/b606482e","","","0.71073","MoKα","","0.0743","0.0405","","0.1122","0.1012","","","","1.02","","","","","","","has coordinates","180365","2020-10-21","18:00:00","" "7203462","8.678","0.002","12.213","0.003","13.691","0.003","85.497","0.004","77.327","0.004","82.58","0.004","1401.9","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H14 Cd Cl2 N2 -","- C13 H14 Cd Cl2 N2 -","- C52 H56 Cd4 Cl8 N8 -","4","2","","Carlucci, Lucia; Ciani, Gianfranco; Proserpio, Davide M.; Porta, Francesca","New metal?organic frameworks and supramolecular arrays assembled with the bent ditopic ligand 4,4-diaminodiphenylmethane","CrystEngComm","2006","8","9","696","","10.1039/b606482e","","","0.71073","MoKα","","0.0219","0.0193","","0.0522","0.0509","","","","0.982","","","","","","","has coordinates","180365","2020-10-21","18:00:00","" "7203463","26.216","0.0013","8.7667","0.0005","11.8792","0.0006","90","","91.216","0.002","90","","2729.6","0.2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C13 H14 Cl2 Mn N2 -","- C13 H14 Cl2 Mn N2 -","- C104 H112 Cl16 Mn8 N16 -","8","1","","Carlucci, Lucia; Ciani, Gianfranco; Proserpio, Davide M.; Porta, Francesca","New metal?organic frameworks and supramolecular arrays assembled with the bent ditopic ligand 4,4-diaminodiphenylmethane","CrystEngComm","2006","8","9","696","","10.1039/b606482e","","","0.71073","MoKα","","0.038","0.0284","","0.0817","0.0757","","","","1.025","","","","","","","has coordinates","180365","2020-10-21","18:00:00","" "7203464","6.4441","0.0012","10.0237","0.0019","12.366","0.002","104.701","0.004","95.868","0.004","94.544","0.004","764","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H14 Cd Cl2 N2 -","- C13 H14 Cd Cl2 N2 -","- C26 H28 Cd2 Cl4 N4 -","2","1","","Carlucci, Lucia; Ciani, Gianfranco; Proserpio, Davide M.; Porta, Francesca","New metal?organic frameworks and supramolecular arrays assembled with the bent ditopic ligand 4,4-diaminodiphenylmethane","CrystEngComm","2006","8","9","696","","10.1039/b606482e","","","0.71073","MoKα","","0.0449","0.0331","","0.1017","0.0962","","","","1.056","","","","","","","has coordinates","180365","2020-10-21","18:00:00","" "7203465","30.884","0.002","8.1009","0.0006","12.0897","0.0008","90","","99.461","0.001","90","","2983.6","0.4","150","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H28 Cd3 Cl6 N4 -","- C26 H28 Cd3 Cl6 N4 -","- C104 H112 Cd12 Cl24 N16 -","4","0.5","","Carlucci, Lucia; Ciani, Gianfranco; Proserpio, Davide M.; Porta, Francesca","New metal?organic frameworks and supramolecular arrays assembled with the bent ditopic ligand 4,4-diaminodiphenylmethane","CrystEngComm","2006","8","9","696","","10.1039/b606482e","","","0.71073","MoKα","","0.0344","0.0309","","0.0965","0.0854","","","","1.351","","","","","","","has coordinates","180365","2020-10-21","18:00:00","" "7203466","18.0645","0.0005","18.0645","0.0005","19.0889","0.0007","90","","90","","120","","5394.7","0.3","293","2","293","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C39 H30 Ag N7 O3 -","- C39 H30 Ag N7 O3 -","- C234 H180 Ag6 N42 O18 -","6","0.166667","","Carlucci, Lucia; Ciani, Gianfranco; Proserpio, Davide M.; Porta, Francesca","New metal?organic frameworks and supramolecular arrays assembled with the bent ditopic ligand 4,4-diaminodiphenylmethane","CrystEngComm","2006","8","9","696","","10.1039/b606482e","","","0.71073","MoKα","","0.0454","0.0391","","0.1388","0.1288","","","","1.126","","","","","","","has coordinates","180365","2020-10-21","18:00:00","" "7203469","7.6917","0.0015","7.7273","0.0015","20.524","0.004","90","","90","","90","","1219.9","0.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","(S-(beta)-phenethylammonium)trichloroplumbate(ii)","(S-(β)-phenethylammonium)trichloroplumbate(II)","","- C8 H12 Cl3 N Pb -","- C8 H12 Cl3 N Pb -","- C32 H48 Cl12 N4 Pb4 -","4","1","","Billing, David G.; Lemmerer, Andreas","Synthesis and crystal structures of inorganic?organic hybrids incorporating an aromatic amine with a chiral functional group","CrystEngComm","2006","8","9","686","","10.1039/b606987h","","","0.71073","MoKα","","0.0279","0.0254","","","0.0609","0.0619","","","","","","1.049","","","","has coordinates","180365","2020-10-21","18:00:00","" "7203470","7.9199","0.0011","8.1392","0.0011","20.555","0.003","90","","90","","90","","1325","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","(S-(beta)-phenethylammonium)tribromoplumbate(ii)","(S-(β)-phenethylammonium)tribromoplumbate(II)","","- C8 H12 Br3 N Pb -","- C8 H12 Br3 N Pb -","- C32 H48 Br12 N4 Pb4 -","4","1","","Billing, David G.; Lemmerer, Andreas","Synthesis and crystal structures of inorganic?organic hybrids incorporating an aromatic amine with a chiral functional group","CrystEngComm","2006","8","9","686","","10.1039/b606987h","","","0.71073","MoKα","","0.0389","0.0295","","","0.0648","0.0675","","","","","","1.011","","","","has coordinates","180365","2020-10-21","18:00:00","" "7203471","8.0814","0.0012","8.6983","0.0013","21.337","0.003","90","","90","","90","","1499.9","0.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","((R)-beta-phenethylammonium)triiodoplumbate(ii)","((R)-β-phenethylammonium)triiodoplumbate(II)","","- C8 H12 I3 N Pb -","- C8 H12 I3 N Pb -","- C32 H48 I12 N4 Pb4 -","4","1","","Billing, David G.; Lemmerer, Andreas","Synthesis and crystal structures of inorganic?organic hybrids incorporating an aromatic amine with a chiral functional group","CrystEngComm","2006","8","9","686","","10.1039/b606987h","","","0.71073","MoKα","","0.0332","0.0276","","","0.0592","0.0608","","","","","","1.131","","","","has coordinates","180365","2020-10-21","18:00:00","" "7203472","8.095","0.0012","8.7141","0.0013","21.368","0.003","90","","90","","90","","1507.3","0.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","((R)-beta-phenethylammonium)triiodoplumbate(ii)","((R)-β-phenethylammonium)triiodoplumbate(II)","","- C8 H12 I3 N Pb -","- C8 H12 I3 N Pb -","- C32 H48 I12 N4 Pb4 -","4","1","","Billing, David G.; Lemmerer, Andreas","Synthesis and crystal structures of inorganic?organic hybrids incorporating an aromatic amine with a chiral functional group","CrystEngComm","2006","8","9","686","","10.1039/b606987h","","","0.71073","MoKα","","0.0382","0.0274","","","0.0542","0.0565","","","","","","1.036","","","","has coordinates","176432","2020-10-21","18:00:00","" "7203473","28.826","0.005","7.812","0.0013","27.055","0.005","90","","92.684","0.004","90","","6085.8","1.8","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","tris((racemic)-beta-phenethylammonium)pentachloroplumbate(ii)","tris((racemic)-β-phenethylammonium)pentachloroplumbate(II)","","- C24 H38 Cl5 N3 O Pb -","- C24 H38 Cl5 N3 O Pb -","- C192 H304 Cl40 N24 O8 Pb8 -","8","1","","Billing, David G.; Lemmerer, Andreas","Synthesis and crystal structures of inorganic?organic hybrids incorporating an aromatic amine with a chiral functional group","CrystEngComm","2006","8","9","686","","10.1039/b606987h","","","0.71073","MoKα","","0.0507","0.0305","","","0.0605","0.0655","","","","","","1.055","","","","has coordinates","180365","2020-10-21","18:00:00","" "7203474","29.171","0.004","8.1095","0.0012","27.656","0.004","90","","92.234","0.003","90","","6537.4","1.6","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","tris((racemic)-beta-phenethylammonium)pentachloroplumbate(ii)","tris((racemic)-β-phenethylammonium)pentachloroplumbate(II)","","- C24 H38 Br5 N3 O Pb -","- C24 H38 Br5 N3 O Pb -","- C192 H304 Br40 N24 O8 Pb8 -","8","1","","Billing, David G.; Lemmerer, Andreas","Synthesis and crystal structures of inorganic?organic hybrids incorporating an aromatic amine with a chiral functional group","CrystEngComm","2006","8","9","686","","10.1039/b606987h","","","0.71073","MoKα","","0.0682","0.0387","","","0.0799","0.0877","","","","","","1.021","","","","has coordinates","180365","2020-10-21","18:00:00","" "7203475","8.868","0.005","9.247","0.005","28.729","0.005","90","","90","","90","","2355.8","1.9","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","bis((R)-beta-phenethylammonium)tetraiodoplumbate(ii)","bis((R)-β-phenethylammonium)tetraiodoplumbate(II)","","- C16 H24 I4 N2 Pb -","- C16 H24 I4 N2 Pb -","- C64 H96 I16 N8 Pb4 -","4","1","","Billing, David G.; Lemmerer, Andreas","Synthesis and crystal structures of inorganic?organic hybrids incorporating an aromatic amine with a chiral functional group","CrystEngComm","2006","8","9","686","","10.1039/b606987h","","","0.71069","MoKα","","0.0481","0.0405","","","0.083","0.0851","","","","","","1.174","","","","has coordinates","180365","2020-10-21","18:00:00","" "7203476","8.8531","0.0017","9.2312","0.0018","28.65","0.006","90","","90","","90","","2341.4","0.8","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","bis((S)-beta-phenethylammonium)tetraiodoplumbate(ii)","bis((S)-β-phenethylammonium)tetraiodoplumbate(II)","","- C16 H24 I4 N2 Pb -","- C16 H24 I4 N2 Pb -","- C64 H96 I16 N8 Pb4 -","4","1","","Billing, David G.; Lemmerer, Andreas","Synthesis and crystal structures of inorganic?organic hybrids incorporating an aromatic amine with a chiral functional group","CrystEngComm","2006","8","9","686","","10.1039/b606987h","","","0.71073","MoKα","","0.0419","0.0316","","","0.0753","0.0776","","","","","","1.077","","","","has coordinates","180365","2020-10-21","18:00:00","" "7203479","7.9664","0.0009","16.5707","0.0018","10.501","0.0011","90","","107.048","0.006","90","","1325.3","0.3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H26 N2 O10 -","- C30 H26 N2 O10 -","- C60 H52 N4 O20 -","2","0.5","","Barooah, Nilotpal; Sarma, Rupam J.; Baruah, Jubaraj B.","Solid-state hydrogen bonded assembly of N,N?-bis(glycinyl)-pyromellitic diimide with aromatic guests","CrystEngComm","2006","8","8","608","","10.1039/b607323a","","","0.71073","MoKα","","0.0633","0.0423","","","0.1034","0.1148","","","","","","1.04","","","","has coordinates","180365","2020-10-21","18:00:00","" "7203480","7.5128","0.0004","7.8323","0.0005","20.1764","0.0014","94.067","0.004","99.125","0.004","94.832","0.004","1163.75","0.13","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H18 N2 O8 -","- C28 H18 N2 O8 -","- C56 H36 N4 O16 -","2","1","","Barooah, Nilotpal; Sarma, Rupam J.; Baruah, Jubaraj B.","Solid-state hydrogen bonded assembly of N,N?-bis(glycinyl)-pyromellitic diimide with aromatic guests","CrystEngComm","2006","8","8","608","","10.1039/b607323a","","","0.71073","MoKα","","0.0687","0.0484","","","0.1236","0.1432","","","","","","1.055","","","","has coordinates","202017","2020-10-21","18:00:00","" "7203481","7.3019","0.0001","8.9102","0.0001","10.784","0.0002","80.311","0.001","77.528","0.001","78.283","0.001","665.083","0.017","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C34 H20 N2 O8 -","- C34 H20 N2 O8 -","- C34 H20 N2 O8 -","1","0.5","","Barooah, Nilotpal; Sarma, Rupam J.; Baruah, Jubaraj B.","Solid-state hydrogen bonded assembly of N,N?-bis(glycinyl)-pyromellitic diimide with aromatic guests","CrystEngComm","2006","8","8","608","","10.1039/b607323a","","","0.71073","MoKα","","0.0642","0.044","","","0.1113","0.1254","","","","","","1.025","","","","has coordinates","180365","2020-10-21","18:00:00","" "7203482","7.7829","0.0005","9.8027","0.0007","15.4096","0.001","97.584","0.005","97.404","0.004","107.85","0.004","1091.26","0.13","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H12 N2 O8 S4 -","- C20 H12 N2 O8 S4 -","- C40 H24 N4 O16 S8 -","2","1","","Barooah, Nilotpal; Sarma, Rupam J.; Baruah, Jubaraj B.","Solid-state hydrogen bonded assembly of N,N?-bis(glycinyl)-pyromellitic diimide with aromatic guests","CrystEngComm","2006","8","8","608","","10.1039/b607323a","","","0.71073","MoKα","","0.0824","0.0406","","","0.0885","0.1038","","","","","","1.005","","","","has coordinates","202017","2020-10-21","18:00:00","" "7203483","5.1088","0.0005","5.3102","0.0006","12.3475","0.0015","90.588","0.009","98.023","0.008","95.211","0.008","330.23","0.06","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H8 N2 O8 -","- C14 H8 N2 O8 -","- C14 H8 N2 O8 -","1","0.5","","Barooah, Nilotpal; Sarma, Rupam J.; Baruah, Jubaraj B.","Solid-state hydrogen bonded assembly of N,N?-bis(glycinyl)-pyromellitic diimide with aromatic guests","CrystEngComm","2006","8","8","608","","10.1039/b607323a","","","0.71073","MoKα","","0.0428","0.0369","","","0.0944","0.0995","","","","","","1.029","","","","has coordinates","180365","2020-10-21","18:00:00","" "7203484","21.3144","0.0005","21.3144","0.0005","17.3882","0.0008","90","","90","","120","","6841.2","0.4","150","","150","","","","","","","","","7","P -6","P -6","174","","","","- C28 H40 F9 La N3 O20.5 S3 -","- C28 H24 F9 La N3 O20.5 S3 -","- C168 H144 F54 La6 N18 O123 S18 -","6","1","","Masu, Hyuma; Tominaga, Masahide; Katagiri, Kosuke; Kato, Takako; Azumaya, Isao","2-D coordination network of a cyclic amide with a lanthanide metal cation and its columnar stacking","CrystEngComm","2006","8","8","578","","10.1039/b607370k","","","0.71073","MoKα","","0.0771","0.0439","","","0.096","0.1121","","","","","","1.027","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00","" "7203485","8.63","0.0001","11.3501","0.0001","11.4308","0.0001","65.221","0.001","89.753","0.001","82.527","0.001","1006.37","0.019","150","","150","","","","","","","","","7","P 1","P 1","1","","","","- C29 H30 F9 N4 O15 S3 Yb -","- C29 H24 F9 N4 O15 S3 Yb -","- C29 H24 F9 N4 O15 S3 Yb -","1","1","","Masu, Hyuma; Tominaga, Masahide; Katagiri, Kosuke; Kato, Takako; Azumaya, Isao","2-D coordination network of a cyclic amide with a lanthanide metal cation and its columnar stacking","CrystEngComm","2006","8","8","578","","10.1039/b607370k","","","0.71073","MoKα","","0.0394","0.0382","","","0.0677","0.0685","","","","","","0.963","","","","has coordinates","180365","2020-10-21","18:00:00","" "7203486","3.744","0.001","6.032","0.001","18.631","0.002","97.66","0.01","92.28","0.01","90.47","0.01","416.64","0.14","180","2","180","2","","","","","","","","5","P -1","-P 1","2","","","","- C8 H7 Cl N O3 -","- C8 H7 Cl N O3 -","- C16 H14 Cl2 N2 O6 -","2","1","","Edwards, M. R.; Jones, William; Motherwell, W. D. Samuel","Cocrystal formation of 4-methyl and 4-chlorobenzamide with carboxylic acids: Chloro/methyl interchange and crystal structure","CrystEngComm","2006","8","7","545","","10.1039/b607423e","","","0.71069","MoKα","","0.059","0.044","","0.1227","0.1047","","","","1.051","1.081","1.081","","","","","has coordinates","180365","2020-10-21","18:00:00","" "7203487","5.0843","0.0003","8.3131","0.0005","15.9637","0.0008","77.76","0.003","89.771","0.003","74.353","0.003","633.94","0.06","180","2","180","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H30 Cl2 N2 O6 -","- C24 H30 Cl2 N2 O6 -","- C24 H30 Cl2 N2 O6 -","1","0.5","","Edwards, M. R.; Jones, William; Motherwell, W. D. Samuel","Cocrystal formation of 4-methyl and 4-chlorobenzamide with carboxylic acids: Chloro/methyl interchange and crystal structure","CrystEngComm","2006","8","7","545","","10.1039/b607423e","","","0.71069","MoKα","","0.0732","0.042","","0.1061","0.0941","","","","1.024","1.102","1.102","","","","","has coordinates","180365","2020-10-21","18:00:00","" "7203488","9.2224","0.0004","10.0926","0.0005","10.0772","0.0005","90","","113.116","0.003","90","","862.66","0.07","180","2","180","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H20 N2 O6 -","- C18 H20 N2 O6 -","- C36 H40 N4 O12 -","2","0.5","","Edwards, M. R.; Jones, William; Motherwell, W. D. Samuel","Cocrystal formation of 4-methyl and 4-chlorobenzamide with carboxylic acids: Chloro/methyl interchange and crystal structure","CrystEngComm","2006","8","7","545","","10.1039/b607423e","","","0.71069","MoKα","","0.0751","0.0541","","0.1585","0.1436","","","","1.027","1.075","1.075","","","","","has coordinates","180365","2020-10-21","18:00:00","" "7203489","36.856","0.002","5.1674","0.0002","29.4327","0.0018","90","","112.806","0.002","90","","5167.2","0.5","180","2","180","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C26 H36 N2 O6 -","- C26 H36 N2 O6 -","- C208 H288 N16 O48 -","8","1","","Edwards, M. R.; Jones, William; Motherwell, W. D. Samuel","Cocrystal formation of 4-methyl and 4-chlorobenzamide with carboxylic acids: Chloro/methyl interchange and crystal structure","CrystEngComm","2006","8","7","545","","10.1039/b607423e","","","0.71069","MoKα","","0.1736","0.0589","","","0.1184","0.1565","","","","","","0.925","","","","has coordinates","180365","2020-10-21","18:00:00","" "7203490","6.0884","0.0016","17.675","0.004","19.404","0.004","90","","90","","90","","2088.1","0.8","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H31 N O3 -","- C23 H31 N O3 -","- C92 H124 N4 O12 -","4","1","","Ilona Turowska-Tyrk; Julia Bąkowicz; John R. Scheffer; Wujiong Xia","Monitoring reaction centers and molecules during an enantioselective photoreaction in a crystal","CrystEngComm","2006","8","8","616","","10.1039/b607425a","","","0.71073","MoKα","","0.0534","0.0404","","","0.0916","0.1007","","","","","","1.092","","","","has coordinates","180365","2020-10-21","18:00:00","" "7203491","6.0982","0.0014","17.667","0.004","19.405","0.004","90","","90","","90","","2090.6","0.8","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H31 N O3 -","- C23 H31 N O3 -","- C92 H124 N4 O12 -","4","1","","Ilona Turowska-Tyrk; Julia Bąkowicz; John R. Scheffer; Wujiong Xia","Monitoring reaction centers and molecules during an enantioselective photoreaction in a crystal","CrystEngComm","2006","8","8","616","","10.1039/b607425a","","","0.71073","MoKα","","0.049","0.039","","","0.1016","0.1097","","","","","","1.039","","","","has coordinates,has disorder","180365","2020-10-21","18:00:00","" "7203492","6.1046","0.0013","17.656","0.004","19.423","0.004","90","","90","","90","","2093.5","0.8","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H31 N O3 -","- C23 H31 N O3 -","- C92 H124 N4 O12 -","4","1","","Ilona Turowska-Tyrk; Julia Bąkowicz; John R. Scheffer; Wujiong Xia","Monitoring reaction centers and molecules during an enantioselective photoreaction in a crystal","CrystEngComm","2006","8","8","616","","10.1039/b607425a","","","0.71073","MoKα","","0.0513","0.0405","","","0.1059","0.1136","","","","","","1.022","","","","has coordinates,has disorder","180365","2020-10-21","18:00:00","" "7203493","6.1154","0.0013","17.642","0.004","19.443","0.004","90","","90","","90","","2097.7","0.8","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H31 N O3 -","- C23 H31 N O3 -","- C92 H124 N4 O12 -","4","1","","Ilona Turowska-Tyrk; Julia Bąkowicz; John R. Scheffer; Wujiong Xia","Monitoring reaction centers and molecules during an enantioselective photoreaction in a crystal","CrystEngComm","2006","8","8","616","","10.1039/b607425a","","","0.71073","MoKα","","0.0566","0.045","","","0.1222","0.1319","","","","","","1.054","","","","has coordinates,has disorder","180365","2020-10-21","18:00:00","" "7203494","6.1363","0.0008","17.631","0.002","19.45","0.002","90","","90","","90","","2104.3","0.4","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H31 N O3 -","- C23 H31 N O3 -","- C92 H124 N4 O12 -","4","1","","Ilona Turowska-Tyrk; Julia Bąkowicz; John R. Scheffer; Wujiong Xia","Monitoring reaction centers and molecules during an enantioselective photoreaction in a crystal","CrystEngComm","2006","8","8","616","","10.1039/b607425a","","","0.71073","MoKα","","0.0779","0.0546","","","0.1446","0.1615","","","","","","0.978","","","","has coordinates,has disorder","180365","2020-10-21","18:00:00","" "7203495","6.1416","0.001","17.622","0.003","19.468","0.003","90","","90","","90","","2107","0.6","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H31 N O3 -","- C23 H31 N O3 -","- C92 H124 N4 O12 -","4","1","","Ilona Turowska-Tyrk; Julia Bąkowicz; John R. Scheffer; Wujiong Xia","Monitoring reaction centers and molecules during an enantioselective photoreaction in a crystal","CrystEngComm","2006","8","8","616","","10.1039/b607425a","","","0.71073","MoKα","","0.0908","0.0626","","","0.1743","0.1967","","","","","","1.001","","","","has coordinates,has disorder","180365","2020-10-21","18:00:00","" "7203496","6.1508","0.0009","17.596","0.002","19.478","0.003","90","","90","","90","","2108.1","0.5","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H31 N O3 -","- C23 H31 N O3 -","- C92 H124 N4 O12 -","4","1","","Ilona Turowska-Tyrk; Julia Bąkowicz; John R. Scheffer; Wujiong Xia","Monitoring reaction centers and molecules during an enantioselective photoreaction in a crystal","CrystEngComm","2006","8","8","616","","10.1039/b607425a","","","0.71073","MoKα","","0.1046","0.073","","","0.2058","0.2283","","","","","","0.976","","","","has coordinates,has disorder","180365","2020-10-21","18:00:00","" "7203497","6.1598","0.0009","17.563","0.002","19.5","0.003","90","","90","","90","","2109.6","0.5","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H31 N O3 -","- C23 H31 N O3 -","- C92 H124 N4 O12 -","4","1","","Ilona Turowska-Tyrk; Julia Bąkowicz; John R. Scheffer; Wujiong Xia","Monitoring reaction centers and molecules during an enantioselective photoreaction in a crystal","CrystEngComm","2006","8","8","616","","10.1039/b607425a","","","0.71073","MoKα","","0.1242","0.0872","","","0.2509","0.2781","","","","","","0.994","","","","has coordinates,has disorder","180365","2020-10-21","18:00:00","" "7203498","6.1549","0.0009","17.572","0.002","19.491","0.003","90","","90","","90","","2108","0.5","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H31 N O3 -","- C23 H31 N O3 -","- C92 H124 N4 O12 -","4","1","","Ilona Turowska-Tyrk; Julia Bąkowicz; John R. Scheffer; Wujiong Xia","Monitoring reaction centers and molecules during an enantioselective photoreaction in a crystal","CrystEngComm","2006","8","8","616","","10.1039/b607425a","","","0.71073","MoKα","","0.1156","0.08","","","0.232","0.2584","","","","","","1.011","","","","has coordinates,has disorder","180365","2020-10-21","18:00:00","" "7203499","6.1644","0.0009","17.546","0.003","19.52","0.003","90","","90","","90","","2111.3","0.6","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H31 N O3 -","- C23 H31 N O3 -","- C92 H124 N4 O12 -","4","1","","Ilona Turowska-Tyrk; Julia Bąkowicz; John R. Scheffer; Wujiong Xia","Monitoring reaction centers and molecules during an enantioselective photoreaction in a crystal","CrystEngComm","2006","8","8","616","","10.1039/b607425a","","","0.71073","MoKα","","0.1373","0.0972","","","0.2748","0.3017","","","","","","1.012","","","","has coordinates,has disorder","180365","2020-10-21","18:00:00","" "7203500","6.1732","0.001","17.519","0.003","19.547","0.003","90","","90","","90","","2114","0.6","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H31 N O3 -","- C23 H31 N O3 -","- C92 H124 N4 O12 -","4","1","","Ilona Turowska-Tyrk; Julia Bąkowicz; John R. Scheffer; Wujiong Xia","Monitoring reaction centers and molecules during an enantioselective photoreaction in a crystal","CrystEngComm","2006","8","8","616","","10.1039/b607425a","","","0.71073","MoKα","","0.1688","0.1208","","","0.3245","0.3508","","","","","","1.122","","","","has coordinates,has disorder","180366","2020-10-21","18:00:00","" "7203501","6.1783","0.0012","17.515","0.003","19.569","0.003","90","","90","","90","","2117.6","0.6","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H31 N O3 -","- C23 H31 N O3 -","- C92 H124 N4 O12 -","4","1","","Ilona Turowska-Tyrk; Julia Bąkowicz; John R. Scheffer; Wujiong Xia","Monitoring reaction centers and molecules during an enantioselective photoreaction in a crystal","CrystEngComm","2006","8","8","616","","10.1039/b607425a","","","0.71073","MoKα","","0.2027","0.1412","","","0.3667","0.3968","","","","","","1.223","","","","has coordinates,has disorder","180366","2020-10-21","18:00:00","" "7203502","6.1916","0.0013","17.515","0.004","19.583","0.003","90","","90","","90","","2123.7","0.7","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H31 N O3 -","- C23 H31 N O3 -","- C92 H124 N4 O12 -","4","1","","Ilona Turowska-Tyrk; Julia Bąkowicz; John R. Scheffer; Wujiong Xia","Monitoring reaction centers and molecules during an enantioselective photoreaction in a crystal","CrystEngComm","2006","8","8","616","","10.1039/b607425a","","","0.71073","MoKα","","0.2394","0.163","","","0.4032","0.4348","","","","","","1.268","","","","has coordinates,has disorder","180366","2020-10-21","18:00:00","" "7203506","32.672","0.008","15.404","0.004","19.582","0.005","90","","92.376","0.004","90","","9847","4","153","2","153","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C112 H180 O4 -","- C112 H180 O4 -","- C448 H720 O16 -","4","1","","Clark, Thomas E.; Makha, Mohamed; Raston, Colin L.; Sobolev, Alexandre N.","Supersized bilayers based on an O-alkyl substituted calix[4]arene","CrystEngComm","2006","8","9","707","","10.1039/b608024c","","","0.71073","MoKα","","0.2321","0.0904","","","0.2391","0.3371","","","","","","1.015","","","","has coordinates,has disorder","180366","2020-10-21","18:00:00","" "7203507","15.6","0.005","19.664","0.006","33.103","0.01","85.879","0.005","76.899","0.005","87.243","0.005","9859","5","170","2","170","2","","","","","","","","3","P -1","-P 1","2","","","","- C107 H176 O4 -","- C107 H176 O4 -","- C428 H704 O16 -","4","2","","Clark, Thomas E.; Makha, Mohamed; Raston, Colin L.; Sobolev, Alexandre N.","Supersized bilayers based on an O-alkyl substituted calix[4]arene","CrystEngComm","2006","8","9","707","","10.1039/b608024c","","","0.71073","MoKα","","0.3422","0.1136","","","0.2675","0.4111","","","","","","0.893","","","","has coordinates","180366","2020-10-21","18:00:00","" "7203508","11.221","0.002","5.4718","0.0011","30.459","0.006","90","","93.79","0.03","90","","1866.1","0.6","100","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H22 B2 O6 -","- C20 H22 B2 O6 -","- C80 H88 B8 O24 -","4","2","","Chandran, Sreekanth K.; Nangia, Ashwini","Modulated crystal structure (Z? = 2) of ?-d-glucofuranose-1,2?3,5-bis(p-tolyl)boronate","CrystEngComm","2006","8","8","581","","10.1039/b608029d","","","0.71073","MoKα","","0.062","0.0564","","","0.1217","0.1243","","","","","","1.13","","","","has coordinates","180366","2020-10-21","18:00:00","" "7203509","5.6782","0.0006","11.3687","0.0012","30.306","0.003","90","","90","","90","","1956.4","0.4","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H22 B2 O6 -","- C20 H22 B2 O6 -","- C80 H88 B8 O24 -","4","1","","Chandran, Sreekanth K.; Nangia, Ashwini","Modulated crystal structure (Z? = 2) of ?-d-glucofuranose-1,2?3,5-bis(p-tolyl)boronate","CrystEngComm","2006","8","8","581","","10.1039/b608029d","","","0.71073","MoKα","","0.1055","0.0618","","","0.1284","0.1472","","","","","","1.09","","","","has coordinates","202017","2020-10-21","18:00:00","" "7203510","10.2487","0.001","12.5428","0.0012","13.341","0.0013","90","","90","","90","","1715","0.3","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H18 B2 O6 -","- C18 H18 B2 O6 -","- C72 H72 B8 O24 -","4","1","","Chandran, Sreekanth K.; Nangia, Ashwini","Modulated crystal structure (Z? = 2) of ?-d-glucofuranose-1,2?3,5-bis(p-tolyl)boronate","CrystEngComm","2006","8","8","581","","10.1039/b608029d","","","0.71073","MoKα","","0.0397","0.0355","","","0.083","0.0851","","","","","","1.156","","","","has coordinates","202017","2020-10-21","18:00:00","" "7203511","10.475","0.003","12.572","0.004","13.554","0.004","90","","90","","90","","1784.9","0.9","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H18 B2 O6 -","- C18 H18 B2 O6 -","- C72 H72 B8 O24 -","4","1","","Chandran, Sreekanth K.; Nangia, Ashwini","Modulated crystal structure (Z? = 2) of ?-d-glucofuranose-1,2?3,5-bis(p-tolyl)boronate","CrystEngComm","2006","8","8","581","","10.1039/b608029d","","","0.71073","MoKα","","0.2943","0.1023","","","0.1824","0.2196","","","","","","1.051","","","","has coordinates","202017","2020-10-21","18:00:00","" "7203536","27.0695","0.0016","6.1051","0.0004","32.4245","0.0019","90","","111.443","0.001","90","","4987.6","0.5","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C14 H14 N4 -","- C14 H14 N4 -","- C224 H224 N64 -","16","2","","De, Senjuti; Chowdhury, Shubhamoy; Tocher, Derek A.; Datta, Dipankar","Molecular and supramolecular structures of benzil dihydrazone, an organic helical molecule. Comparison with diacetyl dihydrazone","CrystEngComm","2006","8","9","670","","10.1039/b608107j","","","0.71073","MoKα","","0.0661","0.0577","","","0.132","0.1371","","","","","","1.099","","","","has coordinates","180366","2020-10-21","18:00:00","" "7203540","38.7756","0.0005","28.6296","0.0005","19.9225","0.0003","90","","94.3539","0.001","90","","22052.7","0.6","110","2","110","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C76 H56 Cu N8 O12 -","- C76 H56 Cu N8 O12 -","- C608 H448 Cu8 N64 O96 -","8","1","","Lipstman, Sophia; Muniappan, Sankar; George, Sumod; Goldberg, Israel","The effects of strong Lewis-base reagents on supramolecular hydrogen bonding of meso-tetra(carboxyphenyl)porphyrins","CrystEngComm","2006","8","8","601","","10.1039/b608852j","","","0.71073","MoKα","","0.1027","0.0643","","","0.1735","0.1902","","","","","","0.963","","","","has coordinates","180366","2020-10-21","18:00:00","" "7203541","13.523","0.0006","16.0078","0.0006","18.4755","0.0009","108.332","0.0018","93.617","0.002","106.441","0.003","3590.1","0.3","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","","","- C64 H43 N7 O9 Ru -","- C64 H43 N7 O9 Ru -","- C128 H86 N14 O18 Ru2 -","2","1","","Lipstman, Sophia; Muniappan, Sankar; George, Sumod; Goldberg, Israel","The effects of strong Lewis-base reagents on supramolecular hydrogen bonding of meso-tetra(carboxyphenyl)porphyrins","CrystEngComm","2006","8","8","601","","10.1039/b608852j","","","0.71073","MoKα","","0.1026","0.0718","","","0.2025","0.2154","","","","","","1.033","","","","has coordinates","180366","2020-10-21","18:00:00","" "7203542","17.3027","0.0002","14.0365","0.0002","22.2494","0.0003","90","","90","","90","","5403.7","0.12","110","2","110","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C56 H52 N4 O12 Pd S4 -","- C56 H52 N4 O12 Pd S4 -","- C224 H208 N16 O48 Pd4 S16 -","4","0.5","","Lipstman, Sophia; Muniappan, Sankar; George, Sumod; Goldberg, Israel","The effects of strong Lewis-base reagents on supramolecular hydrogen bonding of meso-tetra(carboxyphenyl)porphyrins","CrystEngComm","2006","8","8","601","","10.1039/b608852j","","","0.71073","MoKα","","0.0648","0.0426","","","0.1133","0.1272","","","","","","1.025","","","","has coordinates,has disorder","180366","2020-10-21","18:00:00","" "7203543","10.3278","0.0005","11.8814","0.0005","18.0329","0.0009","100.305","0.0015","104.992","0.002","98.599","0.002","2057.88","0.17","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","","","- C70 H49 N7 O12 Ru -","- C70 H49 N7 O12 Ru -","- C70 H49 N7 O12 Ru -","1","0.5","","Lipstman, Sophia; Muniappan, Sankar; George, Sumod; Goldberg, Israel","The effects of strong Lewis-base reagents on supramolecular hydrogen bonding of meso-tetra(carboxyphenyl)porphyrins","CrystEngComm","2006","8","8","601","","10.1039/b608852j","","","0.71073","MoKα","","0.099","0.0757","","","0.1936","0.2065","","","","","","1.043","","","","has coordinates,has disorder","180366","2020-10-21","18:00:00","" "7203544","7.4613","0.0015","12.954","0.003","14.179","0.003","65.251","0.002","74.747","0.003","78.16","0.003","1193.6","0.4","298","2","298","2","","","","","","","","5","P -1","-P 1","2","Saccharin, pyridine","Saccharin, pyridine","","- C12 H10 N2 O3 S -","- C12 H10 N2 O3 S -","- C48 H40 N8 O12 S4 -","4","2","","Banerjee, Rahul; Saha, Binoy K.; Desiraju, Gautam R.","Synthon robustness in saccharinate salts of some substituted pyridines","CrystEngComm","2006","8","9","680","","10.1039/b608926g","","","0.71073","MoKα","","0.0869","0.0505","","","0.1231","0.1413","","","","","","1.039","","","","has coordinates","180366","2020-10-21","18:00:00","" "7203545","9.705","0.011","11.706","0.013","10.411","0.011","90","","105.089","0.019","90","","1142","2","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Saccharin, 4,4'-bipyridine","Saccharin, 4,4'-bipyridine","","- C24 H18 N4 O6 S2 -","- C24 H18 N4 O6 S2 -","- C48 H36 N8 O12 S4 -","2","0.5","","Banerjee, Rahul; Saha, Binoy K.; Desiraju, Gautam R.","Synthon robustness in saccharinate salts of some substituted pyridines","CrystEngComm","2006","8","9","680","","10.1039/b608926g","","","0.71073","MoKα","","0.1036","0.0438","","","0.0899","0.107","","","","","","0.899","","","","has coordinates","180366","2020-10-21","18:00:00","" "7203546","7.4299","0.0005","11.1506","0.0007","15.345","0.0009","88.095","0.001","76.717","0.001","81.49","0.001","1223.67","0.13","100","2","100","2","","","","","","","","5","P -1","-P 1","2","saccharin, 4-picoline","saccharin, 4-picoline","","- C13 H12 N2 O3 S -","- C13 H12 N2 O3 S -","- C52 H48 N8 O12 S4 -","4","2","","Banerjee, Rahul; Saha, Binoy K.; Desiraju, Gautam R.","Synthon robustness in saccharinate salts of some substituted pyridines","CrystEngComm","2006","8","9","680","","10.1039/b608926g","","","0.71073","MoKα","","0.0411","0.0388","","","0.0981","0.0995","","","","","","1.138","","","","has coordinates","180366","2020-10-21","18:00:00","" "7203547","6.9157","0.0012","17.351","0.003","10.6553","0.0018","90","","102.421","0.002","90","","1248.6","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","saccharine, isonicotinamide","saccharine, isonicotinamide","","- C13 H11 N3 O4 S -","- C13 H11 N3 O4 S -","- C52 H44 N12 O16 S4 -","4","1","","Banerjee, Rahul; Saha, Binoy K.; Desiraju, Gautam R.","Synthon robustness in saccharinate salts of some substituted pyridines","CrystEngComm","2006","8","9","680","","10.1039/b608926g","","","0.71073","MoKα","","0.0521","0.0417","","","0.0951","0.101","","","","","","1.018","","","","has coordinates","202017","2020-10-21","18:00:00","" "7203548","12.1321","0.0009","8.3859","0.0006","13.1779","0.001","90","","112.61","0.001","90","","1237.66","0.16","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Saccharin, 3-aminopyridine","Saccharin, 3-aminopyridine","","- C12 H11 N3 O3 S -","- C12 H11 N3 O3 S -","- C48 H44 N12 O12 S4 -","4","1","","Banerjee, Rahul; Saha, Binoy K.; Desiraju, Gautam R.","Synthon robustness in saccharinate salts of some substituted pyridines","CrystEngComm","2006","8","9","680","","10.1039/b608926g","","","0.71073","MoKα","","0.0336","0.0323","","","0.0878","0.0889","","","","","","1.06","","","","has coordinates","202017","2020-10-21","18:00:00","" "7203549","13.7712","0.0012","12.4593","0.0011","14.3461","0.0013","90","","90","","90","","2461.5","0.4","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","Saccharin, 2-aminopyridine","saccharin, 2-aminopyridine","","- C12 H11 N3 O3 S -","- C12 H11 N3 O3 S -","- C96 H88 N24 O24 S8 -","8","1","","Banerjee, Rahul; Saha, Binoy K.; Desiraju, Gautam R.","Synthon robustness in saccharinate salts of some substituted pyridines","CrystEngComm","2006","8","9","680","","10.1039/b608926g","","","0.71073","MoKα","","0.0448","0.0394","","","0.0961","0.099","","","","","","1.113","","","","has coordinates","202017","2020-10-21","18:00:00","" "7203550","7.2644","0.0015","7.382","0.0015","13.752","0.003","98.667","0.003","95.025","0.003","100.566","0.003","711.6","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","saccharin, 2-amino-4,6-dimethylpyrimidine","saccharin, 2-amino-4,6-dimethylpyrimidine","","- C13 H14 N4 O3 S -","- C13 H14 N4 O3 S -","- C26 H28 N8 O6 S2 -","2","1","","Banerjee, Rahul; Saha, Binoy K.; Desiraju, Gautam R.","Synthon robustness in saccharinate salts of some substituted pyridines","CrystEngComm","2006","8","9","680","","10.1039/b608926g","","","0.71073","MoKα","","0.0539","0.0459","","","0.1222","0.1288","","","","","","1.034","","","","has coordinates","202017","2020-10-21","18:00:00","" "7203551","15.4801","0.0009","18.8355","0.0012","18.5273","0.0008","90","","102.642","0.003","90","","5271.1","0.5","100","2","100","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C110 H162 Ba N2 O22 -","- C110 H162 Ba N2 O22 -","- C220 H324 Ba2 N4 O44 -","2","1","","Bernardo Masci; Pierre Thuéry","Complex-within-complex assemblages from {M([2.2.2]cryptand)(H~2~O)~2~}^2+^ (M = Sr, Ba) and {UO~2~(p-tert-butyl[3.1.3.1]homooxacalixarene ‒ 4H)}^2−^","CrystEngComm","2006","8","10","764","","10.1039/b609043e","","","0.71073","MoKα","","0.1395","0.0919","","","0.2212","0.2604","","","","","","1.008","","","","has coordinates","189177","2020-10-21","18:00:00","" "7203552","16.1945","0.0006","22.5902","0.0009","20.9304","0.0006","90","","103.591","0.002","90","","7442.7","0.5","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C68 H114 N2 O21 Sr U -","- C68 H114 N2 O21 Sr U -","- C272 H456 N8 O84 Sr4 U4 -","4","1","","Bernardo Masci; Pierre Thuéry","Complex-within-complex assemblages from {M([2.2.2]cryptand)(H~2~O)~2~}^2+^ (M = Sr, Ba) and {UO~2~(p-tert-butyl[3.1.3.1]homooxacalixarene ‒ 4H)}^2−^","CrystEngComm","2006","8","10","764","","10.1039/b609043e","","","0.71073","MoKα","","0.073","0.0469","","","0.1052","0.116","","","","","","1.028","","","","has coordinates,has disorder","189177","2020-10-21","18:00:00","" "7203553","12.8244","0.0003","22.0852","0.0005","29.4456","0.0008","90","","91.312","0.001","90","","8337.7","0.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C68 H120 Ba N2 O24 U -","- C68 H120 Ba N2 O24 U -","- C272 H480 Ba4 N8 O96 U4 -","4","1","","Bernardo Masci; Pierre Thuéry","Complex-within-complex assemblages from {M([2.2.2]cryptand)(H~2~O)~2~}^2+^ (M = Sr, Ba) and {UO~2~(p-tert-butyl[3.1.3.1]homooxacalixarene ‒ 4H)}^2−^","CrystEngComm","2006","8","10","764","","10.1039/b609043e","","","0.71073","MoKα","","0.0746","0.0575","","","0.1511","0.1634","","","","","","1.056","","","","has coordinates","189177","2020-10-21","18:00:00","" "7203554","18.8808","0.0013","19.0624","0.0019","22.4431","0.0019","66.304","0.005","73.525","0.006","66.252","0.005","6698.4","1","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C122 H194 Ba N4 O29 U2 -","- C122 H194 Ba N4 O29 U2 -","- C244 H388 Ba2 N8 O58 U4 -","2","1","","Bernardo Masci; Pierre Thuéry","Complex-within-complex assemblages from {M([2.2.2]cryptand)(H~2~O)~2~}^2+^ (M = Sr, Ba) and {UO~2~(p-tert-butyl[3.1.3.1]homooxacalixarene ‒ 4H)}^2−^","CrystEngComm","2006","8","10","764","","10.1039/b609043e","","","0.71073","MoKα","","0.1451","0.0982","","","0.2242","0.2515","","","","","","1.039","","","","has coordinates","189177","2020-10-21","18:00:00","" "7203555","14.806","0.013","7.155","0.006","7.82","0.007","90","","94.861","0.014","90","","825.4","1.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2-amino-4-ethylphenol","2-amino-4-ethylphenol","","- C8 H11 N O -","- C8 H11 N O -","- C32 H44 N4 O4 -","4","1","","Dey, Archan; Pati, Narendra Nath; Desiraju, Gautam R.","Crystal structure prediction with the supramolecular synthon approach: Experimental structures of 2-amino-4-ethylphenol and 3-amino-2-naphthol and comparison with prediction","CrystEngComm","2006","8","10","751","","10.1039/b609101f","","","0.71073","MoKα","","0.1872","0.0806","","","0.1759","0.2201","","","","","","0.927","","","","has coordinates","202017","2020-10-21","18:00:00","" "7203556","15.1054","0.0013","6.0153","0.0005","8.4629","0.0007","90","","99.582","0.001","90","","758.24","0.11","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","3 amino 2 naphthol","3 amino 2 naphthol","","- C10 H9 N O -","- C10 H9 N O -","- C40 H36 N4 O4 -","4","1","","Dey, Archan; Pati, Narendra Nath; Desiraju, Gautam R.","Crystal structure prediction with the supramolecular synthon approach: Experimental structures of 2-amino-4-ethylphenol and 3-amino-2-naphthol and comparison with prediction","CrystEngComm","2006","8","10","751","","10.1039/b609101f","","","0.71073","MoKα","","0.0441","0.0415","","","0.1099","0.1121","","","","","","1.048","","","","has coordinates","202017","2020-10-21","18:00:00","" "7203557","18.9615","0.0003","11.942","0.0003","12.8415","0.0002","90","","125.675","0.001","90","","2362.13","0.08","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Dichloro-bis[5-amino-3-(pyrid-2-yl)pyrazole]manganese(II) dimethanol solvate (1.2CH~3~OH)","","- C18 H24 Cl2 Mn N8 O2 -","- C18 H24 Cl2 Mn N8 O2 -","- C72 H96 Cl8 Mn4 N32 O8 -","4","0.5","","Jones, Leigh F.; Camm, Kenneth D.; Kilner, Colin A.; Halcrow, Malcolm A.","Novel hydrogen bond network topologies in complexes of the ditopic ligand 5-amino-3-(pyrid-2-yl)-1H-pyrazole","CrystEngComm","2006","8","9","719","","10.1039/b609424d","","","0.71073","MoKα","","0.0468","0.0406","","","0.1185","0.1239","","","","","","1.054","","","","has coordinates","180366","2020-10-21","18:00:00","" "7203558","10.7275","0.0002","11.662","0.0002","11.9305","0.0002","95.9291","0.0006","96.0695","0.0006","110.075","0.001","1378.36","0.04","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","Dichloro-bis[5-amino-3-(pyrid-2-yl)pyrazole]iron(III) chloride tetrakis-methanol solvate (2.4CH~3~OH)","","- C20 H32 Cl3 Fe N8 O4 -","- C20 H32 Cl3 Fe N8 O4 -","- C40 H64 Cl6 Fe2 N16 O8 -","2","1","","Jones, Leigh F.; Camm, Kenneth D.; Kilner, Colin A.; Halcrow, Malcolm A.","Novel hydrogen bond network topologies in complexes of the ditopic ligand 5-amino-3-(pyrid-2-yl)-1H-pyrazole","CrystEngComm","2006","8","9","719","","10.1039/b609424d","","","0.71073","MoKα","","0.0522","0.036","","","0.0895","0.0974","","","","","","1.022","","","","has coordinates","180366","2020-10-21","18:00:00","" "7203559","7.2901","0.0003","28.8637","0.0008","11.8758","0.0006","90","","107.874","0.002","90","","2378.28","0.17","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Bis[5-amino-3-(pyrid-2-yl)pyrazole]copper(II) diperchlorate methanol solvate (3.CH~3~OH)","","- C17 H20 Cl2 Cu N8 O9 -","- C17 H20 Cl2 Cu N8 O9 -","- C68 H80 Cl8 Cu4 N32 O36 -","4","1","","Jones, Leigh F.; Camm, Kenneth D.; Kilner, Colin A.; Halcrow, Malcolm A.","Novel hydrogen bond network topologies in complexes of the ditopic ligand 5-amino-3-(pyrid-2-yl)-1H-pyrazole","CrystEngComm","2006","8","9","719","","10.1039/b609424d","","","0.71073","MoKα","","0.0852","0.0583","","","0.1531","0.1682","","","","","","1.047","","","","has coordinates,has disorder","180366","2020-10-21","18:00:00","" "7203560","20.5384","0.0007","8.2388","0.0002","14.5781","0.0006","90","","101.409","0.0013","90","","2418.04","0.14","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Bis[5-amino-3-(pyrid-2-yl)pyrazole][acetonitrile]copper(II) diperchlorate (4)","","- C18 H19 Cl2 Cu N9 O8 -","- C18 H19 Cl2 Cu N9 O8 -","- C72 H76 Cl8 Cu4 N36 O32 -","4","0.5","","Jones, Leigh F.; Camm, Kenneth D.; Kilner, Colin A.; Halcrow, Malcolm A.","Novel hydrogen bond network topologies in complexes of the ditopic ligand 5-amino-3-(pyrid-2-yl)-1H-pyrazole","CrystEngComm","2006","8","9","719","","10.1039/b609424d","","","0.71073","MoKα","","0.0654","0.0458","","","0.121","0.1329","","","","","","1.028","","","","has coordinates","180366","2020-10-21","18:00:00","" "7203561","14.3848","0.0002","16.214","0.0002","34.3029","0.0005","90","","90","","90","","8000.64","0.19","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","Nitrato-bis(5-amino-3-(pyrid-2-yl)pyrazole)copper(ii) nitrate hydrate (0.5/0.13) (5.xH!2$O; x = 0.13)","Nitrato-bis[5-amino-3-(pyrid-2-yl)pyrazole]copper(II) nitrate hydrate (0.5/0.13) (5.xH~2~O; x = 0.13)","","- C16 H16.26 Cu N10 O6.13 -","- C16 H16 Cu N10 O6.13 -","- C256 H256 Cu16 N160 O98.08 -","16","2","","Jones, Leigh F.; Camm, Kenneth D.; Kilner, Colin A.; Halcrow, Malcolm A.","Novel hydrogen bond network topologies in complexes of the ditopic ligand 5-amino-3-(pyrid-2-yl)-1H-pyrazole","CrystEngComm","2006","8","9","719","","10.1039/b609424d","","","0.71073","MoKα","","0.1364","0.0576","","","0.1373","0.1661","","","","","","1.01","","","","has coordinates,has disorder","180366","2020-10-21","18:00:00","" "7203562","14.168","0.0001","16.4064","0.0002","35.0658","0.0004","90","","90","","90","","8150.9","0.15","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Nitrato-bis[5-amino-3-(pyrid-2-yl)pyrazole]zinc(II) nitrate hydrate (0.5/0.29) (5.xH~2~O; x = 0.29)","","- C16 H16.58 N10 O6.29 Zn -","- C16 H16 N10 O6.29 Zn -","- C256 H256 N160 O100.64 Zn16 -","16","2","","Jones, Leigh F.; Camm, Kenneth D.; Kilner, Colin A.; Halcrow, Malcolm A.","Novel hydrogen bond network topologies in complexes of the ditopic ligand 5-amino-3-(pyrid-2-yl)-1H-pyrazole","CrystEngComm","2006","8","9","719","","10.1039/b609424d","","","0.71073","MoKα","","0.0713","0.0476","","","0.1224","0.134","","","","","","1.054","","","","has coordinates,has disorder","180366","2020-10-21","18:00:00","" "7203563","12.3753","0.0007","17.13","0.0013","16.3243","0.0012","90","","110.892","0.004","90","","3233.1","0.4","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Tetrakis(5-amino-3-{pyrid-2-yl}pyrazolido)dicopper(II) hydrate (0.5/0.25) (7.xH~2~O; x = 0.25)","","- C32 H28.5 Cu2 N16 O0.25 -","- C32 H28 Cu2 N16 O0.255 -","- C128 H112 Cu8 N64 O1.02 -","4","1","","Jones, Leigh F.; Camm, Kenneth D.; Kilner, Colin A.; Halcrow, Malcolm A.","Novel hydrogen bond network topologies in complexes of the ditopic ligand 5-amino-3-(pyrid-2-yl)-1H-pyrazole","CrystEngComm","2006","8","9","719","","10.1039/b609424d","","","0.71073","MoKα","","0.0897","0.0678","","","0.1699","0.1947","","","","","","1.021","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00","" "7203566","18.499","0.009","8.626","0.008","19.255","0.009","90","","90","","90","","3073","4","230","","230","0.2","","","","","","","see text","6","P c a 21","P 2c -2ac","29","1-ethyl-3-methylimidazolium bis(trifluoromethanesulfonlyl)imide","1-ethyl-3-methylimidazolium bis(trifluoromethanesulfonlyl)imide","","- C8 H11 F6 N3 O4 S2 -","- C8 H11 F6 N3 O4 S2 -","- C64 H88 F48 N24 O32 S16 -","8","2","","Choudhury, Angshuman R.; Winterton, Neil; Steiner, Alexander; Cooper, Andrew I.; Johnson, Kathleen A.","In situ crystallization of ionic liquids with melting points below ?25 ?C","CrystEngComm","2006","8","10","742","","10.1039/b609598d","","","0.71073","MoKα","","0.1465","0.0823","","","0.1936","0.2225","","","","","","0.948","","","","has coordinates","180366","2020-10-21","18:00:00","" "7203567","10.183","0.005","12.384","0.007","18.294","0.008","90","","90","","90","","2307","2","150","","150","0.2","","","","","","","see text","6","P b c a","-P 2ac 2ab","61","1-ethyl-3-methylimidazolium trifluoromethanesulfonate","1-ethyl-3-methylimidazolium trifluoromethanesulfonate","","- C7 H11 F3 N2 O3 S -","- C7 H11 F3 N2 O3 S -","- C56 H88 F24 N16 O24 S8 -","8","1","","Choudhury, Angshuman R.; Winterton, Neil; Steiner, Alexander; Cooper, Andrew I.; Johnson, Kathleen A.","In situ crystallization of ionic liquids with melting points below ?25 ?C","CrystEngComm","2006","8","10","742","","10.1039/b609598d","","","0.71073","MoKα","","0.0738","0.0519","","","0.1249","0.1341","","","","","","1.139","","","","has coordinates","202017","2020-10-21","18:00:00","" "7203568","12.526","0.003","10.179","0.002","12.332","0.003","90","","115.038","0.004","90","","1424.6","0.6","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","1,4-bis((1-pyrazolyl)methyl)benzene, (3,5-dinitrobenzoic acid)2","1,4-bis[(1-pyrazolyl)methyl]benzene, (3,5-dinitrobenzoic acid)2","","- C28 H22 N8 O12 -","- C28 H22 N8 O12 -","- C56 H44 N16 O24 -","2","0.5","","Christer B. Aakeröy; John Desper; Meg E. Fasulo","Improving success rate of hydrogen-bond driven synthesis of co-crystals","CrystEngComm","2006","8","8","586","","10.1039/b609709j","","","0.71073","MoKα","","0.0518","0.0453","","","0.1194","0.1245","","","","","","1.055","","","","has coordinates","180366","2020-10-21","18:00:00","" "7203569","7.5783","0.0008","7.901","0.0009","14.1442","0.0013","103.784","0.007","101.429","0.007","90.509","0.006","804.8","0.15","173","2","173","2","","","","","","","","5","P -1","-P 1","2","MF142Me8 1,4-bis((3,5-dimethylpyrazol-1-yl)methyl)benzene, (2,6-Cl2PhCOOH)2","MF142Me8 1,4-bis[(3,5-dimethylpyrazol-1-yl)methyl]benzene, (2,6-Cl2PhCOOH)2","","- C32 H30 Cl4 N4 O4 -","- C32 H30 Cl4 N4 O4 -","- C32 H30 Cl4 N4 O4 -","1","0.5","","Christer B. Aakeröy; John Desper; Meg E. Fasulo","Improving success rate of hydrogen-bond driven synthesis of co-crystals","CrystEngComm","2006","8","8","586","","10.1039/b609709j","","","0.71073","MoKα","","0.0804","0.0666","","","0.1956","0.206","","","","","","1.357","","","","has coordinates","180366","2020-10-21","18:00:00","" "7203570","8.8093","0.0006","14.7493","0.001","15.4238","0.0012","67.222","0.004","82.777","0.004","86.232","0.004","1832.8","0.2","173","2","173","2","","","","","","","","4","P -1","-P 1","2","MF142Me8 1,4-bis((3,5-dimethylpyrazol-1-yl)methyl)benzene (Me5-PhCOOH)2","MF142Me8 1,4-bis[(3,5-dimethylpyrazol-1-yl)methyl]benzene (Me5-PhCOOH)2","","- C42 H54 N4 O4 -","- C42 H54 N4 O4 -","- C84 H108 N8 O8 -","2","1","","Christer B. Aakeröy; John Desper; Meg E. Fasulo","Improving success rate of hydrogen-bond driven synthesis of co-crystals","CrystEngComm","2006","8","8","586","","10.1039/b609709j","","","0.71073","MoKα","","0.1184","0.0798","","","0.2154","0.2413","","","","","","1.231","","","","has coordinates,has disorder","180366","2020-10-21","18:00:00","" "7203571","8.6489","0.0014","14.576","0.003","15.257","0.003","88.236","0.008","80.342","0.007","88.046","0.008","1894.4","0.6","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H42 Cu N6 O7 -","- C44 H40 Cu N6 O7 -","- C88 H80 Cu2 N12 O14 -","2","1","","M. John Plater; Thomas Gelbrich; Michael B. Hursthouse; Ben M. De Silva","Synthesis of co-ordination networks selecting from either (R,R), (S,S) and (R,S)-1,4- or -1,3-bis[2-(4-pyridyl)-2-methylethyl]benzene and a discrete complex from 1,4-bis[2-(3-pyridyl)-2-methyl-cis-ethenyl)]benzene","CrystEngComm","2006","8","12","895","","10.1039/b609740e","","","0.71073","MoKα","","0.1514","0.0997","","","0.1906","0.2107","","","","","","1.235","","","","has coordinates","180366","2020-10-21","18:00:00","" "7203572","5.1824","0.0002","15.3047","0.0008","11.2209","0.0005","90","","100.618","0.003","90","","874.75","0.07","120","2","120","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C22 H20 N2 -","- C22 H20 N2 -","- C44 H40 N4 -","2","0.5","","M. John Plater; Thomas Gelbrich; Michael B. Hursthouse; Ben M. De Silva","Synthesis of co-ordination networks selecting from either (R,R), (S,S) and (R,S)-1,4- or -1,3-bis[2-(4-pyridyl)-2-methylethyl]benzene and a discrete complex from 1,4-bis[2-(3-pyridyl)-2-methyl-cis-ethenyl)]benzene","CrystEngComm","2006","8","12","895","","10.1039/b609740e","","","0.71073","MoKα","","0.0697","0.041","","","0.1023","0.1129","","","","","","0.989","","","","has coordinates","180366","2020-10-21","18:00:00","" "7203573","24.7921","0.0009","5.9555","0.0002","11.8649","0.0003","90","","101.992","0.002","90","","1713.61","0.1","120","2","120","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C22 H20 N2 -","- C22 H20 N2 -","- C88 H80 N8 -","4","1","","M. John Plater; Thomas Gelbrich; Michael B. Hursthouse; Ben M. De Silva","Synthesis of co-ordination networks selecting from either (R,R), (S,S) and (R,S)-1,4- or -1,3-bis[2-(4-pyridyl)-2-methylethyl]benzene and a discrete complex from 1,4-bis[2-(3-pyridyl)-2-methyl-cis-ethenyl)]benzene","CrystEngComm","2006","8","12","895","","10.1039/b609740e","","","0.71073","MoKα","","0.0973","0.0787","","","0.1487","0.1558","","","","","","1.075","","","","has coordinates","180366","2020-10-21","18:00:00","" "7203574","6.6661","0.0002","12.8086","0.0004","10.5343","0.0004","90","","105.883","0.001","90","","865.12","0.05","120","2","120","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C22 H20 N2 -","- C22 H20 N2 -","- C44 H40 N4 -","2","0.5","","M. John Plater; Thomas Gelbrich; Michael B. Hursthouse; Ben M. De Silva","Synthesis of co-ordination networks selecting from either (R,R), (S,S) and (R,S)-1,4- or -1,3-bis[2-(4-pyridyl)-2-methylethyl]benzene and a discrete complex from 1,4-bis[2-(3-pyridyl)-2-methyl-cis-ethenyl)]benzene","CrystEngComm","2006","8","12","895","","10.1039/b609740e","","","0.71073","MoKα","","0.0464","0.0385","","","0.1016","0.1062","","","","","","1.067","","","","has coordinates","180366","2020-10-21","18:00:00","" "7203575","11.2284","0.0016","13.9722","0.0019","14.47","0.003","104.476","0.004","97.445","0.005","99.866","0.007","2129.9","0.6","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H50 Cd N6 O7 -","- C44 H46.5 Cd N6 O7 -","- C88 H93 Cd2 N12 O14 -","2","1","","M. John Plater; Thomas Gelbrich; Michael B. Hursthouse; Ben M. De Silva","Synthesis of co-ordination networks selecting from either (R,R), (S,S) and (R,S)-1,4- or -1,3-bis[2-(4-pyridyl)-2-methylethyl]benzene and a discrete complex from 1,4-bis[2-(3-pyridyl)-2-methyl-cis-ethenyl)]benzene","CrystEngComm","2006","8","12","895","","10.1039/b609740e","","","0.71073","MoKα","","0.2044","0.1343","","","0.1864","0.2092","","","","","","1.223","","","","has coordinates,has disorder","180366","2020-10-21","18:00:00","" "7203576","18.9609","0.0005","20.1474","0.0006","18.4747","0.0004","90","","96.418","0.002","90","","7013.3","0.3","120","2","120","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C66 H79 Cd Cl2 N6 O12 -","- C66 H79 Cd Cl2 N6 O12 -","- C264 H316 Cd4 Cl8 N24 O48 -","4","0.5","","M. John Plater; Thomas Gelbrich; Michael B. Hursthouse; Ben M. De Silva","Synthesis of co-ordination networks selecting from either (R,R), (S,S) and (R,S)-1,4- or -1,3-bis[2-(4-pyridyl)-2-methylethyl]benzene and a discrete complex from 1,4-bis[2-(3-pyridyl)-2-methyl-cis-ethenyl)]benzene","CrystEngComm","2006","8","12","895","","10.1039/b609740e","","","0.71073","MoKα","","0.0783","0.0604","","","0.1175","0.1248","","","","","","1.078","","","","has coordinates,has disorder","180366","2020-10-21","18:00:00","" "7203577","17.707","0.006","20.119","0.003","19.17","0.009","90","","90","","90","","6829","4","120","2","120","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C66 H76 Co N8 O8 -","- C66 H76 Co N8 O8 -","- C264 H304 Co4 N32 O32 -","4","1","","M. John Plater; Thomas Gelbrich; Michael B. Hursthouse; Ben M. De Silva","Synthesis of co-ordination networks selecting from either (R,R), (S,S) and (R,S)-1,4- or -1,3-bis[2-(4-pyridyl)-2-methylethyl]benzene and a discrete complex from 1,4-bis[2-(3-pyridyl)-2-methyl-cis-ethenyl)]benzene","CrystEngComm","2006","8","12","895","","10.1039/b609740e","","","0.71073","MoKα","","0.159","0.1122","","","0.2218","0.2373","","","","","","1.219","","","","has coordinates,has disorder","180366","2020-10-21","18:00:00","" "7203578","17.707","0.003","20.072","0.004","19.219","0.002","90","","90","","90","","6830.7","1.9","120","2","120","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C66 H76 N8 Ni O8 -","- C66 H76 N8 Ni O8 -","- C264 H304 N32 Ni4 O32 -","4","1","","M. John Plater; Thomas Gelbrich; Michael B. Hursthouse; Ben M. De Silva","Synthesis of co-ordination networks selecting from either (R,R), (S,S) and (R,S)-1,4- or -1,3-bis[2-(4-pyridyl)-2-methylethyl]benzene and a discrete complex from 1,4-bis[2-(3-pyridyl)-2-methyl-cis-ethenyl)]benzene","CrystEngComm","2006","8","12","895","","10.1039/b609740e","","","0.71073","MoKα","","0.1289","0.097","","","0.1955","0.208","","","","","","1.077","","","","has coordinates,has disorder","180366","2020-10-21","18:00:00","" "7203579","12.71","0.003","25.181","0.005","13.499","0.003","90","","90","","90","","4320.4","1.6","120","2","120","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C44 H50 Cd N6 O7 -","- C44 H50 Cd N6 O7 -","- C176 H200 Cd4 N24 O28 -","4","0.5","","M. John Plater; Thomas Gelbrich; Michael B. Hursthouse; Ben M. De Silva","Synthesis of co-ordination networks selecting from either (R,R), (S,S) and (R,S)-1,4- or -1,3-bis[2-(4-pyridyl)-2-methylethyl]benzene and a discrete complex from 1,4-bis[2-(3-pyridyl)-2-methyl-cis-ethenyl)]benzene","CrystEngComm","2006","8","12","895","","10.1039/b609740e","","","0.71073","MoKα","","0.0576","0.0442","","","0.1138","0.1211","","","","","","1.038","","","","has coordinates","180366","2020-10-21","18:00:00","" "7203582","20.457","0.011","25.429","0.014","14.537","0.008","90","","122.662","0.006","90","","6366","6","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C48 H57 Co N15 O5 -","- C48 H56 Co N15 O5 -","- C192 H224 Co4 N60 O20 -","4","0.5","","Du, Miao; Wang, Xiu-Guang; Zhang, Zhi-Hui; Tang, Liang-Fu; Zhao, Xiao-Jun","Solvent-directed layered Co(ii) coordination polymers with unusual solid-state properties: from a nanoporous framework to the dense polythreading 3-D aggregation","CrystEngComm","2006","8","11","788","","10.1039/b610160g","","","0.71073","MoKα","","0.0953","0.0525","","","0.1387","0.1752","","","","","","1.035","","","","has coordinates","180366","2020-10-21","18:00:00","" "7203583","22.923","0.003","24.682","0.004","8.334","0.0012","90","","90","","90","","4715.3","1.2","293","2","293","2","","","","","","","","4","P c c a","-P 2a 2ac","54","","","","- C46 H44 Co N18 -","- C46 H44 Co N18 -","- C184 H176 Co4 N72 -","4","0.5","","Du, Miao; Wang, Xiu-Guang; Zhang, Zhi-Hui; Tang, Liang-Fu; Zhao, Xiao-Jun","Solvent-directed layered Co(ii) coordination polymers with unusual solid-state properties: from a nanoporous framework to the dense polythreading 3-D aggregation","CrystEngComm","2006","8","11","788","","10.1039/b610160g","","","0.71073","MoKα","","0.1659","0.057","","","0.1152","0.1535","","","","","","1.005","","","","has coordinates","180366","2020-10-21","18:00:00","" "7203584","24.958","0.004","24.637","0.004","8.1686","0.0012","90","","90","","90","","5022.8","1.4","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C46 H46 Co N18 O -","- C46 H44 Co N18 O -","- C184 H176 Co4 N72 O4 -","4","0.5","","Du, Miao; Wang, Xiu-Guang; Zhang, Zhi-Hui; Tang, Liang-Fu; Zhao, Xiao-Jun","Solvent-directed layered Co(ii) coordination polymers with unusual solid-state properties: from a nanoporous framework to the dense polythreading 3-D aggregation","CrystEngComm","2006","8","11","788","","10.1039/b610160g","","","0.71073","MoKα","","0.0711","0.0498","","","0.1541","0.1717","","","","","","1.063","","","","has coordinates","180366","2020-10-21","18:00:00","" "7203585","9.0541","0.0018","18.159","0.004","9.7343","0.0019","90","","91.2","0.03","90","","1600.1","0.6","180","2","180","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","2,3 lutidine fumarate","","","- C15 H17 N O8 -","- C15 H17 N O8 -","- C60 H68 N4 O32 -","4","1","","Haynes, Delia A.; Jones, William; Motherwell, W. D. Samuel","Cocrystallisation of succinic and fumaric acids with lutidines: a systematic study","CrystEngComm","2006","8","11","830","","10.1039/b610294h","","","0.71073","MoKα","","0.0729","0.05","","","0.1094","0.1188","","","","","","1.11","","","","has coordinates,has disorder","180366","2020-10-21","18:00:00","" "7203586","9.8746","0.0004","7.1925","0.0004","12.2559","0.0005","90","","96.81","0.003","90","","864.31","0.07","180","2","180","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","2,3 lutidine fumaric acid co-crystal","","","- C18 H22 N2 O4 -","- C18 H22 N2 O4 -","- C36 H44 N4 O8 -","2","0.5","","Haynes, Delia A.; Jones, William; Motherwell, W. D. Samuel","Cocrystallisation of succinic and fumaric acids with lutidines: a systematic study","CrystEngComm","2006","8","11","830","","10.1039/b610294h","","","0.71073","MoKα","","0.0723","0.0503","","","0.1179","0.131","","","","","","1.053","","","","has coordinates","180366","2020-10-21","18:00:00","" "7203587","10.0598","0.0003","7.3023","0.0003","12.2512","0.0004","90","","97.47","0.002","90","","892.33","0.05","180","2","180","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","2,3 lutidine succinic acid co-crystal","","","- C18 H24 N2 O4 -","- C18 H24 N2 O4 -","- C36 H48 N4 O8 -","2","0.5","","Haynes, Delia A.; Jones, William; Motherwell, W. D. Samuel","Cocrystallisation of succinic and fumaric acids with lutidines: a systematic study","CrystEngComm","2006","8","11","830","","10.1039/b610294h","","","0.71073","MoKα","","0.0571","0.0426","","","0.1073","0.1163","","","","","","1.03","","","","has coordinates","180366","2020-10-21","18:00:00","" "7203588","3.9653","0.0001","13.7652","0.0004","20.0488","0.0006","90","","91.603","0.001","90","","1093.9","0.05","180","2","180","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","2,4 lutidine fumarate","","","- C11 H13 N O4 -","- C11 H13 N O4 -","- C44 H52 N4 O16 -","4","1","","Haynes, Delia A.; Jones, William; Motherwell, W. D. Samuel","Cocrystallisation of succinic and fumaric acids with lutidines: a systematic study","CrystEngComm","2006","8","11","830","","10.1039/b610294h","","","0.71073","MoKα","","0.0707","0.0497","","","0.1197","0.1327","","","","","","1.081","","","","has coordinates","180366","2020-10-21","18:00:00","" "7203589","4.8672","0.001","12.763","0.003","14.374","0.003","90","","96.2","0.03","90","","887.7","0.3","180","2","180","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","2,4 lutidine succinic acid co-crystal","","","- C18 H24 N2 O4 -","- C18 H24 N2 O4 -","- C36 H48 N4 O8 -","2","0.5","","Haynes, Delia A.; Jones, William; Motherwell, W. D. Samuel","Cocrystallisation of succinic and fumaric acids with lutidines: a systematic study","CrystEngComm","2006","8","11","830","","10.1039/b610294h","","","0.71073","MoKα","","0.087","0.0496","","","0.1219","0.1423","","","","","","1.016","","","","has coordinates","180366","2020-10-21","18:00:00","" "7203590","7.2696","0.0002","9.1353","0.0003","11.6311","0.0003","84.115","0.002","72.513","0.002","88.763","0.002","732.81","0.04","293","2","180","2","","","","","","","","4","P -1","-P 1","2","2,5 lutidine fumarate","","","- C13 H15 N O6 -","- C13 H15 N O6 -","- C26 H30 N2 O12 -","2","1","","Haynes, Delia A.; Jones, William; Motherwell, W. D. Samuel","Cocrystallisation of succinic and fumaric acids with lutidines: a systematic study","CrystEngComm","2006","8","11","830","","10.1039/b610294h","","","0.71073","MoKα","","0.0503","0.0426","","","0.123","0.1298","","","","","","1.09","","","","has coordinates","180366","2020-10-21","18:00:00","" "7203591","4.7197","0.0009","15.272","0.003","12.819","0.003","90","","97.38","0.03","90","","916.3","0.3","180","2","180","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","2,5 lutidine succinic acid co-crystal","","","- C18 H24 N2 O4 -","- C18 H24 N2 O4 -","- C36 H48 N4 O8 -","2","0.5","","Haynes, Delia A.; Jones, William; Motherwell, W. D. Samuel","Cocrystallisation of succinic and fumaric acids with lutidines: a systematic study","CrystEngComm","2006","8","11","830","","10.1039/b610294h","","","0.71073","MoKα","","0.0669","0.0527","","","0.1402","0.1507","","","","","","1.057","","","","has coordinates","180366","2020-10-21","18:00:00","" "7203592","15.733","0.003","15.106","0.003","7.6047","0.0015","90","","98.56","0.03","90","","1787.2","0.6","180","2","180","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2,6 lutidine succinic acid co-crystal","","","- C18 H24 N2 O4 -","- C18 H24 N2 O4 -","- C72 H96 N8 O16 -","4","1","","Haynes, Delia A.; Jones, William; Motherwell, W. D. Samuel","Cocrystallisation of succinic and fumaric acids with lutidines: a systematic study","CrystEngComm","2006","8","11","830","","10.1039/b610294h","","","0.71073","MoKα","","0.0531","0.0432","","","0.1058","0.1138","","","","","","1.055","","","","has coordinates","202017","2020-10-21","18:00:00","" "7203593","7.0478","0.0002","10.087","0.0003","10.857","0.0003","102.305","0.002","104.584","0.002","107.975","0.002","674.12","0.04","180","2","180","2","","","","","","","","4","P -1","-P 1","2","3,4 lutidine fumarate","","","- C13 H15 N O6 -","- C13 H15 N O6 -","- C26 H30 N2 O12 -","2","1","","Haynes, Delia A.; Jones, William; Motherwell, W. D. Samuel","Cocrystallisation of succinic and fumaric acids with lutidines: a systematic study","CrystEngComm","2006","8","11","830","","10.1039/b610294h","","","0.71073","MoKα","","0.0523","0.0421","","","0.0944","0.1015","","","","","","1.064","","","","has coordinates","180366","2020-10-21","18:00:00","" "7203594","9.802","0.002","6.0385","0.0012","15.626","0.003","90","","102.49","0.03","90","","903","0.3","180","2","180","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","3,4 lutidine succinic acid co-crystal","","","- C18 H24 N2 O4 -","- C18 H24 N2 O4 -","- C36 H48 N4 O8 -","2","0.5","","Haynes, Delia A.; Jones, William; Motherwell, W. D. Samuel","Cocrystallisation of succinic and fumaric acids with lutidines: a systematic study","CrystEngComm","2006","8","11","830","","10.1039/b610294h","","","0.71073","MoKα","","0.1148","0.065","","","0.1331","0.1578","","","","","","1.099","","","","has coordinates","180366","2020-10-21","18:00:00","" "7203595","8.2345","0.0016","16.299","0.003","6.9681","0.0014","90","","108.17","0.03","90","","888.6","0.3","180","2","180","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","3,5 lutidine fumaric acid co-crystal","","","- C18 H22 N2 O4 -","- C18 H22 N2 O4 -","- C36 H44 N4 O8 -","2","0.5","","Haynes, Delia A.; Jones, William; Motherwell, W. D. Samuel","Cocrystallisation of succinic and fumaric acids with lutidines: a systematic study","CrystEngComm","2006","8","11","830","","10.1039/b610294h","","","0.71073","MoKα","","0.0404","0.0372","","","0.1032","0.1069","","","","","","1.084","","","","has coordinates","180366","2020-10-21","18:00:00","" "7203596","10.464","0.002","4.9696","0.001","17.113","0.003","90","","95.67","0.03","90","","885.6","0.3","180","2","180","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","3,5 lutidine succinic acid co-crystal","","","- C18 H24 N2 O4 -","- C18 H24 N2 O4 -","- C36 H48 N4 O8 -","2","0.5","","Haynes, Delia A.; Jones, William; Motherwell, W. D. Samuel","Cocrystallisation of succinic and fumaric acids with lutidines: a systematic study","CrystEngComm","2006","8","11","830","","10.1039/b610294h","","","0.71073","MoKα","","0.0993","0.058","","","0.1263","0.1453","","","","","","1.038","","","","has coordinates","180366","2020-10-21","18:00:00","" "7203597","9.088","0.002","10.425","0.004","25.005","0.007","90","","90","","90","","2369","1.2","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","5H-dibenz(b,f)azepine-5-carboxamide 10,11-dihydro-5H- dibenz(b,f)azepine-5-carboxamide (1/1)","5H-dibenz[b,f]azepine-5-carboxamide 10,11-dihydro-5H-dibenz[b,f]azepine- 5-carboxamide (1/1)","","- C15 H13 N2 O -","- C15 H13 N2 O -","- C120 H104 N16 O8 -","8","1","","Florence, A. J.; Leech, C. K.; Shankland, N.; Shankland, K.; Johnston, A.","Control and prediction of packing motifs: a rare occurrence of carbamazepine in a catemeric configuration","CrystEngComm","2006","8","10","746","","10.1039/b610317k","","","1.54184","CuKα","","0.1045","0.0603","","","0.1488","0.1617","","","","","","0.954","","","","has coordinates,has disorder","180366","2020-10-21","18:00:00","" "7203598","15.1813","0.0006","17.6908","0.0007","35.4575","0.0014","90","","90","","90","","9522.8","0.7","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","η^5^-cyclopentadienyl(pentafluorophenyl)(triphenylphosphane)palladium(II)","","- C29 H20 F5 P Pd -","- C29 H20 F5 P Pd -","- C464 H320 F80 P16 Pd16 -","16","2","","Althoff, Gerhard; Ruiz, José; Rodríguez, Venancio; López, Gregorio; Pérez, José; Janiak, Christoph","Can a single C‒H⋯F‒C hydrogen bond make a difference? Assessing the H⋯F bond strength from 2-D ^1^H-^19^F CP/MAS NMR","CrystEngComm","2006","8","9","662","665","10.1039/b610718b","","","0.71073","MoKα","","0.0389","0.035","","","0.0896","0.0931","","","","","","0.821","","","","has coordinates","218381","2020-10-21","18:00:00","" "7203604","16.9297","0.0012","16.9297","0.0012","6.7285","0.0006","90","","90","","90","","1928.5","0.3","298","2","298","2","","","","","","","","6","P 42/n m c :2","-P 4ac 2a","137","","","","- C18 H19 Ag4 I4 N17 O12 -","- C18 H16 Ag4 I4 N17 O12 -","- C36 H32 Ag8 I8 N34 O24 -","2","0.125","","Lin, Chih-Yuan; Chan, Zhi-Kai; Yeh, Chun-Wei; Wu, Chia-Jun; Chen, Jhy-Der; Wang, Ju-Chun","Roles of I?I and Ag?I interactions on the self-assembly of Ag(i) complexes containing 2-amino-5-iodopyrimidine; formation of the unique Ag?I?I?Ag interaction","CrystEngComm","2006","8","11","841","","10.1039/b611044d","","","0.71073","MoKα","","0.032","0.0222","","","0.0466","0.0492","","","","","","1.04","","","","has coordinates","180367","2020-10-21","18:00:00","" "7203605","18.711","0.003","18.711","0.003","22.584","0.003","90","","90","","90","","7907","2","298","2","298","2","","","","","","","","7","I 41/a :2","-I 4ad","88","","","","- C4 H4 Ag F6 I N3 P -","- C4 H4 Ag F6 I N3 P -","- C64 H64 Ag16 F96 I16 N48 P16 -","16","1","","Lin, Chih-Yuan; Chan, Zhi-Kai; Yeh, Chun-Wei; Wu, Chia-Jun; Chen, Jhy-Der; Wang, Ju-Chun","Roles of I?I and Ag?I interactions on the self-assembly of Ag(i) complexes containing 2-amino-5-iodopyrimidine; formation of the unique Ag?I?I?Ag interaction","CrystEngComm","2006","8","11","841","","10.1039/b611044d","","","0.71073","MoKα","","0.0995","0.0481","","","0.103","0.1133","","","","","","1.034","","","","has coordinates","180367","2020-10-21","18:00:00","" "7203606","19.1267","0.0017","11.4655","0.0009","9.0154","0.0013","90","","90","","90","","1977.1","0.4","295","2","298","2","","","","","","","","7","P n n a","-P 2a 2bc","52","","","","- C4 H4 Ag Cl I N3 O4 -","- C4 H4 Ag Cl I N3 O4 -","- C32 H32 Ag8 Cl8 I8 N24 O32 -","8","1","","Lin, Chih-Yuan; Chan, Zhi-Kai; Yeh, Chun-Wei; Wu, Chia-Jun; Chen, Jhy-Der; Wang, Ju-Chun","Roles of I?I and Ag?I interactions on the self-assembly of Ag(i) complexes containing 2-amino-5-iodopyrimidine; formation of the unique Ag?I?I?Ag interaction","CrystEngComm","2006","8","11","841","","10.1039/b611044d","","","0.71073","MoKα","","0.0791","0.0501","","","0.0983","0.1091","","","","","","1.052","","","","has coordinates","180367","2020-10-21","18:00:00","" "7203607","12.418","0.0013","21.168","0.002","15.019","0.0016","90","","111.75","0.002","90","","3666.9","0.7","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30.75 H28.75 Ag3 Cl0.5 N11.75 O9 -","- C30.75 H28.75 Ag3 Cl0.5 N11.75 O9 -","- C123 H115 Ag12 Cl2 N47 O36 -","4","1","","Bianca Antonioli; Jack K. Clegg; David J. Bray; Kerstin Gloe; Karsten Gloe; Holger Heßke; Leonard F. Lindoy","An unprecedented bridging [Ag2(NO3)6]4− anion as a component of an infinite silver(I) molecular ladder incorporating a dinuclear cationic silver complex of a bis-dipyridylamine ligand","CrystEngComm","2006","8","10","748","","10.1039/b611270f","","","0.71073","MoKα","","0.0508","0.0335","","","0.0755","0.0819","","","","","","1.025","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00","" "7203608","7.5821","0.0007","7.7098","0.0007","16.7833","0.0016","92.261","0.002","93.43","0.002","110.97","0.001","912.52","0.15","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H34 Mn N4 O14 S2 -","- C34 H34 Mn N4 O14 S2 -","- C34 H34 Mn N4 O14 S2 -","1","0.5","","Zhang, Li-Ping; Zhu, Long-Guan","Monodentate function of the 4,4?-bipyridine that systematically occurs in the 4-sulfobenzoate manganese(ii) complexes: syntheses, crystal structures, and properties","CrystEngComm","2006","8","11","815","","10.1039/b611300a","","","0.71073","MoKα","","0.0651","0.0594","","","0.1583","0.1689","","","","","","1.103","","","","has coordinates","180367","2020-10-21","18:00:00","" "7203609","7.1234","0.0005","18.3038","0.0014","12.4646","0.0009","90","","99.972","0.001","90","","1600.6","0.2","295","2","295","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C27 H36 Mn N4 O13 S -","- C27 H36 Mn N4 O13 S -","- C54 H72 Mn2 N8 O26 S2 -","2","1","","Zhang, Li-Ping; Zhu, Long-Guan","Monodentate function of the 4,4?-bipyridine that systematically occurs in the 4-sulfobenzoate manganese(ii) complexes: syntheses, crystal structures, and properties","CrystEngComm","2006","8","11","815","","10.1039/b611300a","","","0.71073","MoKα","","0.0595","0.0502","","","0.0886","0.0933","","","","","","1.041","","","","has coordinates","180367","2020-10-21","18:00:00","" "7203610","11.7049","0.0007","7.2824","0.0004","13.4553","0.0008","90","","114.163","0.001","90","","1046.44","0.11","295","2","295","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C17 H22 Mn N2 O10 S -","- C17 H22 Mn N2 O10 S -","- C34 H44 Mn2 N4 O20 S2 -","2","1","","Zhang, Li-Ping; Zhu, Long-Guan","Monodentate function of the 4,4?-bipyridine that systematically occurs in the 4-sulfobenzoate manganese(ii) complexes: syntheses, crystal structures, and properties","CrystEngComm","2006","8","11","815","","10.1039/b611300a","","","0.71073","MoKα","","0.0353","0.0351","","","0.0851","0.0853","","","","","","1.121","","","","has coordinates","180367","2020-10-21","18:00:00","" "7203611","14.4525","0.0004","20.8624","0.0007","7.8359","0.0002","90","","109.113","0.0017","90","","2232.39","0.11","110","2","110","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C40 H30 Cl2 I6 N8 -","- C40 H30 Cl2 I6 N8 -","- C80 H60 Cl4 I12 N16 -","2","0.25","","Goldberg, Israel; Muniappan, Sankar; George, Sumod; Lipstman, Sophia","Self-assembly of uniquely structured porphyrin network solids by charged N?H?Cl and N?H?O hydrogen bonds","CrystEngComm","2006","8","11","784","","10.1039/b611384b","","","0.71073","MoKα","","0.0717","0.0484","","","0.1285","0.1451","","","","","","1.073","","","","has coordinates","180367","2020-10-21","18:00:00","" "7203612","28.715","0.0006","24.5928","0.0006","8.1377","0.0002","90","","103.647","0.0017","90","","5584.5","0.2","110","2","110","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C48 H32 N6 O8 Pt -","- C48 H32 N6 O8 Pt -","- C192 H128 N24 O32 Pt4 -","4","0.5","","Goldberg, Israel; Muniappan, Sankar; George, Sumod; Lipstman, Sophia","Self-assembly of uniquely structured porphyrin network solids by charged N?H?Cl and N?H?O hydrogen bonds","CrystEngComm","2006","8","11","784","","10.1039/b611384b","","","0.71073","MoKα","","0.0554","0.039","","","0.0803","0.0853","","","","","","0.952","","","","has coordinates","180367","2020-10-21","18:00:00","" "7203613","9.1433","0.0004","16.1077","0.0006","17.4365","0.0007","114.815","0.002","91.345","0.002","92.087","0.002","2327.22","0.17","273","2","273","2","","","","","","","","7","P -1","-P 1","2","","","","- C40 H25 Br4 Cd Cl9 N2 O4 -","- C40 H25 Br4 Cd Cl9 N2 O4 -","- C80 H50 Br8 Cd2 Cl18 N4 O8 -","2","1","","Jouaiti, Abdelaziz; Kyritsakas, Nathalie; Planeix, Jean-Marc; Hosseini, Mir Wais","Molecular tectonics: generation and packing of 1-D coordination networks formed between dibromofluorene based tectons bearing two pyridines and metal halides","CrystEngComm","2006","8","12","883","","10.1039/b611733n","","","0.71073","MoKα","","0.116","0.0623","","","0.1126","0.1262","","","","","","1.017","","","","has coordinates","180367","2020-10-21","18:00:00","" "7203614","9.0994","0.0007","15.7338","0.0013","17.0478","0.0014","112.465","0.002","92.386","0.002","90.89","0.002","2252.2","0.3","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C40 H25 Br2 Cl11 Co N2 O4 -","- C40 H25 Br2 Cl11 Co N2 O4 -","- C80 H50 Br4 Cl22 Co2 N4 O8 -","2","1","","Jouaiti, Abdelaziz; Kyritsakas, Nathalie; Planeix, Jean-Marc; Hosseini, Mir Wais","Molecular tectonics: generation and packing of 1-D coordination networks formed between dibromofluorene based tectons bearing two pyridines and metal halides","CrystEngComm","2006","8","12","883","","10.1039/b611733n","","","0.71073","MoKα","","0.0861","0.0589","","","0.1521","0.1644","","","","","","1.05","","","","has coordinates","180367","2020-10-21","18:00:00","" "7203615","9.0953","0.0018","15.939","0.003","17.3","0.004","113.92","0.03","91.97","0.03","91.79","0.03","2288.4","1","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C40 H25 Br2 Cl11 Hg N2 O4 -","- C40 H25 Br2 Cl11 Hg N2 O4 -","- C80 H50 Br4 Cl22 Hg2 N4 O8 -","2","1","","Jouaiti, Abdelaziz; Kyritsakas, Nathalie; Planeix, Jean-Marc; Hosseini, Mir Wais","Molecular tectonics: generation and packing of 1-D coordination networks formed between dibromofluorene based tectons bearing two pyridines and metal halides","CrystEngComm","2006","8","12","883","","10.1039/b611733n","","","0.71073","MoKα","","0.0629","0.0463","","","0.1261","0.1385","","","","","","1.059","","","","has coordinates","180367","2020-10-21","18:00:00","" "7203616","12.75","0.0011","16.1881","0.0014","37.508","0.003","90","","90","","90","","7741.6","1.1","173","2","173","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C38 H23 Br4 Cl3 Hg N2 O4 -","- C38 H23 Br4 Cl3 Hg N2 O4 -","- C304 H184 Br32 Cl24 Hg8 N16 O32 -","8","1","","Jouaiti, Abdelaziz; Kyritsakas, Nathalie; Planeix, Jean-Marc; Hosseini, Mir Wais","Molecular tectonics: generation and packing of 1-D coordination networks formed between dibromofluorene based tectons bearing two pyridines and metal halides","CrystEngComm","2006","8","12","883","","10.1039/b611733n","","","0.71073","MoKα","","0.1117","0.0575","","","0.1149","0.1313","","","","","","1.032","","","","has coordinates","180367","2020-10-21","18:00:00","" "7203617","12.608","0.0009","16.2385","0.0013","37.085","0.003","90","","90","","90","","7592.6","1","173","2","173","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C38 H23 Br2 Cl5 Hg N2 O4 -","- C38 H23 Br2 Cl5 Hg N2 O4 -","- C304 H184 Br16 Cl40 Hg8 N16 O32 -","8","1","","Jouaiti, Abdelaziz; Kyritsakas, Nathalie; Planeix, Jean-Marc; Hosseini, Mir Wais","Molecular tectonics: generation and packing of 1-D coordination networks formed between dibromofluorene based tectons bearing two pyridines and metal halides","CrystEngComm","2006","8","12","883","","10.1039/b611733n","","","0.71073","MoKα","","0.1023","0.0469","","","0.0844","0.0993","","","","","","1.024","","","","has coordinates","180367","2020-10-21","18:00:00","" "7203618","12.741","0.003","15.79","0.003","40.525","0.008","90","","90","","90","","8153","3","173","2","173","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C38 H23 Br2 Cl3 Hg I2 N2 O4 -","- C38 H23 Br2 Cl3 Hg I2 N2 O4 -","- C304 H184 Br16 Cl24 Hg8 I16 N16 O32 -","8","1","","Jouaiti, Abdelaziz; Kyritsakas, Nathalie; Planeix, Jean-Marc; Hosseini, Mir Wais","Molecular tectonics: generation and packing of 1-D coordination networks formed between dibromofluorene based tectons bearing two pyridines and metal halides","CrystEngComm","2006","8","12","883","","10.1039/b611733n","","","0.71073","MoKα","","0.0712","0.0375","","","0.0794","0.0854","","","","","","1.07","","","","has coordinates,has disorder","180367","2020-10-21","18:00:00","" "7203619","9.1378","0.0014","15.927","0.003","17.21","0.003","114.132","0.006","91.838","0.007","91.495","0.007","2282.5","0.7","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C40 H25 Br4 Cl9 N2 O4 Zn -","- C40 H25 Br4 Cl9 N2 O4 Zn -","- C80 H50 Br8 Cl18 N4 O8 Zn2 -","2","1","","Jouaiti, Abdelaziz; Kyritsakas, Nathalie; Planeix, Jean-Marc; Hosseini, Mir Wais","Molecular tectonics: generation and packing of 1-D coordination networks formed between dibromofluorene based tectons bearing two pyridines and metal halides","CrystEngComm","2006","8","12","883","","10.1039/b611733n","","","0.71073","MoKα","","0.1958","0.0833","","","0.1911","0.2293","","","","","","1.023","","","","has coordinates","180367","2020-10-21","18:00:00","" "7203622","19.8677","0.0014","5.2047","0.0004","13.8276","0.001","90","","128.451","0.002","90","","1119.77","0.15","130","2","130","2","","","","","","","","5","C 1 2 1","C 2y","5","(Ag(SS-chxn))COO\τimes0.5 H2O","","","- C16 H36 Ag2 N4 O5 -","- C16 H36 Ag2 N4 O5 -","- C32 H72 Ag4 N8 O10 -","2","0.5","","Kalf, Irmgard; Braun, Michaela; Wang, Yutian; Englert, Ulli","Homo- and heterochiral coordination polymers of silver with diaminocyclohexane as bridging ligand: The effect of chirality on argentophilic interactions","CrystEngComm","2006","8","12","916","","10.1039/b612027j","","","0.71073","MoKα","","0.0262","0.0254","","","0.0649","0.0656","","","","","","1.043","","","","has coordinates","180367","2020-10-21","18:00:00","" "7203623","10.394","0.004","10.851","0.004","11.268","0.004","90","","106.477","0.006","90","","1218.7","0.8","110","2","110","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","(Ag(rac-chxn))COO\τimes2 H2O","","","- C8 H21 Ag N2 O4 -","- C8 H21 Ag N2 O4 -","- C32 H84 Ag4 N8 O16 -","4","1","","Kalf, Irmgard; Braun, Michaela; Wang, Yutian; Englert, Ulli","Homo- and heterochiral coordination polymers of silver with diaminocyclohexane as bridging ligand: The effect of chirality on argentophilic interactions","CrystEngComm","2006","8","12","916","","10.1039/b612027j","","","0.71073","MoKα","","0.0329","0.029","","","0.0737","0.076","","","","","","1.085","","","","has coordinates","180367","2020-10-21","18:00:00","" "7203624","16.793","0.009","8.058","0.004","11.766","0.006","90","","90","","90","","1592.2","1.4","130","2","130","2","","","","","","","","7","P 21 21 2","P 2 2ab","18","(Ag(SS-chxn))BF4\τimes0.33 H2O","","","- C18 H44 Ag3 B3 F12 N6 O -","- C18 H44 Ag3 B3 F12 N6 O -","- C36 H88 Ag6 B6 F24 N12 O2 -","2","0.5","","Kalf, Irmgard; Braun, Michaela; Wang, Yutian; Englert, Ulli","Homo- and heterochiral coordination polymers of silver with diaminocyclohexane as bridging ligand: The effect of chirality on argentophilic interactions","CrystEngComm","2006","8","12","916","","10.1039/b612027j","","","0.71073","MoKα","","0.0684","0.0516","","","0.1307","0.1409","","","","","","1.033","","","","has coordinates","180367","2020-10-21","18:00:00","" "7203625","11.108","0.003","9.137","0.003","9.755","0.003","90","","100.108","0.005","90","","974.7","0.5","130","2","130","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","(Ag(rac-chxn))BF4","","","- C6 H14 Ag B F4 N2 -","- C6 H14 Ag B F4 N2 -","- C24 H56 Ag4 B4 F16 N8 -","4","1","","Kalf, Irmgard; Braun, Michaela; Wang, Yutian; Englert, Ulli","Homo- and heterochiral coordination polymers of silver with diaminocyclohexane as bridging ligand: The effect of chirality on argentophilic interactions","CrystEngComm","2006","8","12","916","","10.1039/b612027j","","","0.71073","MoKα","","0.0659","0.0563","","","0.1078","0.1131","","","","","","1.093","","","","has coordinates","180367","2020-10-21","18:00:00","" "7203626","24.132","0.006","6.8438","0.0016","11.751","0.003","90","","93.354","0.004","90","","1937.4","0.8","120","2","120","2","","","","","","","","5","C 1 2 1","C 2y","5","(Ag(SS-chxn))NO3","","","- C6 H14 Ag N3 O3 -","- C6 H14 Ag N3 O3 -","- C48 H112 Ag8 N24 O24 -","8","2","","Kalf, Irmgard; Braun, Michaela; Wang, Yutian; Englert, Ulli","Homo- and heterochiral coordination polymers of silver with diaminocyclohexane as bridging ligand: The effect of chirality on argentophilic interactions","CrystEngComm","2006","8","12","916","","10.1039/b612027j","","","0.71073","MoKα","","0.0552","0.0528","","","0.1471","0.1489","","","","","","1.109","","","","has coordinates","180367","2020-10-21","18:00:00","" "7203627","8.7988","0.0017","8.7709","0.0017","14.151","0.003","90","","100.771","0.004","90","","1072.8","0.4","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C7 H9 Dy O9 S -","- C7 H9 Dy O9 S -","- C28 H36 Dy4 O36 S4 -","4","1","","Lu, Zhenda; Wen, Lili; Yao, Jing; Zhu, Huizhen; Meng, Qingjin","Two types of novel layer framework structures assembled from 5-sulfosalicylic acid and lanthanide ions","CrystEngComm","2006","8","11","847","","10.1039/b612147k","","","0.71073","MoKα","","0.0591","0.0488","","","0.1111","0.1142","","","","","","1.067","","","","has coordinates","180367","2020-10-21","18:00:00","" "7203628","15.868","0.004","9.2","0.003","14.955","0.004","90","","90","","90","","2183.2","1.1","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C7 H9 Eu O9 S -","- C7 H9 Eu O9 S -","- C56 H72 Eu8 O72 S8 -","8","1","","Lu, Zhenda; Wen, Lili; Yao, Jing; Zhu, Huizhen; Meng, Qingjin","Two types of novel layer framework structures assembled from 5-sulfosalicylic acid and lanthanide ions","CrystEngComm","2006","8","11","847","","10.1039/b612147k","","","0.71073","MoKα","","0.0414","0.0355","","","0.1062","0.1121","","","","","","0.977","","","","has coordinates,has disorder","180367","2020-10-21","18:00:00","" "7203629","15.874","0.004","9.161","0.002","14.936","0.004","90","","90","","90","","2172","0.9","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C7 H9 Gd O9 S -","- C7 H9 Gd O9 S -","- C56 H72 Gd8 O72 S8 -","8","1","","Lu, Zhenda; Wen, Lili; Yao, Jing; Zhu, Huizhen; Meng, Qingjin","Two types of novel layer framework structures assembled from 5-sulfosalicylic acid and lanthanide ions","CrystEngComm","2006","8","11","847","","10.1039/b612147k","","","0.71073","MoKα","","0.0381","0.0294","","","0.0816","0.0872","","","","","","0.836","","","","has coordinates,has disorder","180367","2020-10-21","18:00:00","" "7203630","15.861","0.004","9.269","0.002","14.971","0.004","90","","90","","90","","2201","0.9","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C7 H9 Nd O9 S -","- C7 H9 Nd O9 S -","- C56 H72 Nd8 O72 S8 -","8","1","","Lu, Zhenda; Wen, Lili; Yao, Jing; Zhu, Huizhen; Meng, Qingjin","Two types of novel layer framework structures assembled from 5-sulfosalicylic acid and lanthanide ions","CrystEngComm","2006","8","11","847","","10.1039/b612147k","","","0.71073","MoKα","","0.0333","0.029","","","0.0933","0.0969","","","","","","1.015","","","","has coordinates","180367","2020-10-21","18:00:00","" "7203631","15.877","0.004","9.203","0.002","14.958","0.004","90","","90","","90","","2185.6","0.9","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C56 H72 O72 S8 Sm8 -","- C56 H72 O72 S8 Sm8 -","- C56 H72 O72 S8 Sm8 -","1","0.125","","Lu, Zhenda; Wen, Lili; Yao, Jing; Zhu, Huizhen; Meng, Qingjin","Two types of novel layer framework structures assembled from 5-sulfosalicylic acid and lanthanide ions","CrystEngComm","2006","8","11","847","","10.1039/b612147k","","","0.71073","MoKα","","0.0503","0.0346","","","0.0715","0.0736","","","","","","1.085","","","","has coordinates,has disorder","180367","2020-10-21","18:00:00","" "7203632","15.882","0.004","9.212","0.002","14.969","0.004","90","","90","","90","","2190","0.9","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C7 H9 O9 S Tb -","- C7 H9 O9 S Tb -","- C56 H72 O72 S8 Tb8 -","8","1","","Lu, Zhenda; Wen, Lili; Yao, Jing; Zhu, Huizhen; Meng, Qingjin","Two types of novel layer framework structures assembled from 5-sulfosalicylic acid and lanthanide ions","CrystEngComm","2006","8","11","847","","10.1039/b612147k","","","0.71073","MoKα","","0.0372","0.0307","","","0.1018","0.1075","","","","","","0.992","","","","has coordinates,has disorder","180367","2020-10-21","18:00:00","" "7203633","8.782","0.002","8.701","0.002","14.038","0.004","90","","100.73","0.005","90","","1053.9","0.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C7 H9 O9 S Yb -","- C7 H9 O9 S Yb -","- C28 H36 O36 S4 Yb4 -","4","1","","Lu, Zhenda; Wen, Lili; Yao, Jing; Zhu, Huizhen; Meng, Qingjin","Two types of novel layer framework structures assembled from 5-sulfosalicylic acid and lanthanide ions","CrystEngComm","2006","8","11","847","","10.1039/b612147k","","","0.71073","MoKα","","0.0494","0.0394","","","0.084","0.0869","","","","","","1.042","","","","has coordinates","180367","2020-10-21","18:00:00","" "7203634","19.1929","0.0013","7.1978","0.0005","24.4277","0.0017","90","","90","","90","","3374.6","0.4","100","2","100","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C13 H20 Cl2 N4 O3 Zn -","- C13 H14 Cl2 N4 O3 Zn -","- C104 H112 Cl16 N32 O24 Zn8 -","8","1","","Kumar, D. Krishna; Das, Amitava; Dastidar, Parthasarathi","Hydrogen-bonded microporous network, helix and 1-D zigzag chains in MOFs of Zn(ii): studying the effects of ligating topologies, hydrogen bonding backbone and counter-anions","CrystEngComm","2006","8","11","805","","10.1039/b612163m","","","0.71073","MoKα","","0.0622","0.0477","","","0.109","0.1154","","","","","","1.08","","","","has coordinates","180367","2020-10-21","18:00:00","" "7203635","18.3464","0.0017","6.8405","0.0006","24.146","0.002","90","","90","","90","","3030.3","0.5","100","2","100","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C11 H12 Cl2 N4 O2.98 Zn -","- C11 H10 Cl2 N4 O2.98 Zn -","- C88 H80 Cl16 N32 O23.84 Zn8 -","8","1","","Kumar, D. Krishna; Das, Amitava; Dastidar, Parthasarathi","Hydrogen-bonded microporous network, helix and 1-D zigzag chains in MOFs of Zn(ii): studying the effects of ligating topologies, hydrogen bonding backbone and counter-anions","CrystEngComm","2006","8","11","805","","10.1039/b612163m","","","0.71073","MoKα","","0.0588","0.0448","","","0.0962","0.1013","","","","","","1.097","","","","has coordinates","180367","2020-10-21","18:00:00","" "7203636","10.7579","0.0007","16.5516","0.0011","19.2846","0.0013","90","","96.307","0.001","90","","3413","0.4","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C30 H34 N8 O11 Zn2 -","- C30 H34 N8 O11 Zn2 -","- C120 H136 N32 O44 Zn8 -","4","0.5","","Kumar, D. Krishna; Das, Amitava; Dastidar, Parthasarathi","Hydrogen-bonded microporous network, helix and 1-D zigzag chains in MOFs of Zn(ii): studying the effects of ligating topologies, hydrogen bonding backbone and counter-anions","CrystEngComm","2006","8","11","805","","10.1039/b612163m","","","0.71073","MoKα","","0.0339","0.0283","","","0.0739","0.077","","","","","","1.041","","","","has coordinates","180367","2020-10-21","18:00:00","" "7203637","4.8526","0.0005","16.2068","0.0017","24.048","0.002","90","","100.387","0.002","90","","1860.3","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H16 N4 O7 S Zn -","- C13 H16 N4 O7 S Zn -","- C52 H64 N16 O28 S4 Zn4 -","4","1","","Kumar, D. Krishna; Das, Amitava; Dastidar, Parthasarathi","Hydrogen-bonded microporous network, helix and 1-D zigzag chains in MOFs of Zn(ii): studying the effects of ligating topologies, hydrogen bonding backbone and counter-anions","CrystEngComm","2006","8","11","805","","10.1039/b612163m","","","0.71073","MoKα","","0.0461","0.0409","","","0.1214","0.1242","","","","","","1.161","","","","has coordinates","180367","2020-10-21","18:00:00","" "7203638","18.371","0.003","9.8668","0.0016","15.866","0.003","90","","90","","90","","2875.9","0.9","100","2","100","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C11 H10 Cl2 N4 O Zn -","- C11 H10 Cl2 N4 O Zn -","- C88 H80 Cl16 N32 O8 Zn8 -","8","0.5","","Kumar, D. Krishna; Das, Amitava; Dastidar, Parthasarathi","Hydrogen-bonded microporous network, helix and 1-D zigzag chains in MOFs of Zn(ii): studying the effects of ligating topologies, hydrogen bonding backbone and counter-anions","CrystEngComm","2006","8","11","805","","10.1039/b612163m","","","0.71073","MoKα","","0.0317","0.0301","","","0.0731","0.0738","","","","","","1.076","","","","has coordinates","180367","2020-10-21","18:00:00","" "7203639","9.2135","0.0016","12.441","0.002","19.292","0.003","90","","95.447","0.004","90","","2201.4","0.6","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H17 Cl3 N4 O5 Zn -","- C16 H17 Cl3 N4 O5 Zn -","- C64 H68 Cl12 N16 O20 Zn4 -","4","1","","Kumar, D. Krishna; Das, Amitava; Dastidar, Parthasarathi","Hydrogen-bonded microporous network, helix and 1-D zigzag chains in MOFs of Zn(ii): studying the effects of ligating topologies, hydrogen bonding backbone and counter-anions","CrystEngComm","2006","8","11","805","","10.1039/b612163m","","","0.71073","MoKα","","0.1127","0.0686","","","0.1389","0.1572","","","","","","1.005","","","","has coordinates","180367","2020-10-21","18:00:00","" "7203640","7.7362","0.0014","10.8978","0.0019","21.528","0.004","90","","96.732","0.004","90","","1802.5","0.6","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H20 N4 O9 S Zn -","- C12 H20 N4 O9 S Zn -","- C48 H80 N16 O36 S4 Zn4 -","4","1","","Kumar, D. Krishna; Das, Amitava; Dastidar, Parthasarathi","Hydrogen-bonded microporous network, helix and 1-D zigzag chains in MOFs of Zn(ii): studying the effects of ligating topologies, hydrogen bonding backbone and counter-anions","CrystEngComm","2006","8","11","805","","10.1039/b612163m","","","0.71073","MoKα","","0.0872","0.0568","","","0.1049","0.1158","","","","","","1.012","","","","has coordinates","180367","2020-10-21","18:00:00","" "7203641","10.873","0.002","11.598","0.002","13.394","0.003","77.732","0.009","77.628","0.005","70.025","0.005","1532.6","0.5","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H38 Cu N4 O14 -","- C25 H32 Cu N4 O14 -","- C50 H64 Cu2 N8 O28 -","2","1","","Doyle, Robert P.; Nieuwenhuyzen, Mark; Kruger, Paul E.","A molecular ?back-flip?: the structural consequences of the crystal-to-crystal phase transition between [(phen)2CuCO3]?11H2O and [(phen)2CuCO3]?7H2O","CrystEngComm","2006","8","12","904","","10.1039/b612319h","","","0.71073","MoKα","","0.0919","0.0625","","","0.1659","0.1844","","","","","","1.069","","","","has coordinates,has disorder","180367","2020-10-21","18:00:00","" "7203642","9.8564","0.0006","26.1503","0.0012","10.4712","0.0007","90","","105.948","0.005","90","","2595.1","0.3","153","2","153","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H30 Cu N4 O10 -","- C25 H30 Cu N4 O10 -","- C100 H120 Cu4 N16 O40 -","4","1","","Doyle, Robert P.; Nieuwenhuyzen, Mark; Kruger, Paul E.","A molecular ?back-flip?: the structural consequences of the crystal-to-crystal phase transition between [(phen)2CuCO3]?11H2O and [(phen)2CuCO3]?7H2O","CrystEngComm","2006","8","12","904","","10.1039/b612319h","","","0.71073","MoKα","","0.1834","0.0913","","","0.2187","0.3136","","","","","","0.923","","","","has coordinates","180367","2020-10-21","18:00:00","" "7203643","23.59","0.005","8.8353","0.0018","19.166","0.004","90","","90","","90","","3994.7","1.4","120","2","120","2","","","","","","","","4","C m c 21","C 2c -2","36","","","","- C40 H38 N4 O6 -","- C40 H38 N4 O6 -","- C160 H152 N16 O24 -","4","0.5","","Brooks, Simon J.; Gale, Philip A.; Light, Mark E.","Network formation by a pyrrole functionalized isophthalamide","CrystEngComm","2006","8","12","877","","10.1039/b612524g","","","0.71073","MoKα","","0.1324","0.1142","","","0.3014","0.3131","","","","","","1.3","","","","has coordinates","180367","2020-10-21","18:00:00","" "7203644","11.8342","0.0007","13.163","0.0007","13.4024","0.0008","96.141","0.003","113.484","0.002","113.069","0.003","1673.86","0.18","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C42 H33 N5 O2 -","- C42 H33 N5 O2 -","- C84 H66 N10 O4 -","2","1","","Brooks, Simon J.; Gale, Philip A.; Light, Mark E.","Network formation by a pyrrole functionalized isophthalamide","CrystEngComm","2006","8","12","877","","10.1039/b612524g","","","0.71073","MoKα","","0.1713","0.0846","","","0.1865","0.2223","","","","","","1.029","","","","has coordinates","202017","2020-10-21","18:00:00","" "7203645","10.242","0.0003","14.7567","0.0007","22.8507","0.001","90","","92.363","0.003","90","","3450.7","0.2","120","2","120","2","","","","","","","Simon Brooks","4","P 1 21/c 1","-P 2ybc","14","","","","- C43 H36 N4 O3 -","- C43 H36 N4 O3 -","- C172 H144 N16 O12 -","4","1","","Brooks, Simon J.; Gale, Philip A.; Light, Mark E.","Network formation by a pyrrole functionalized isophthalamide","CrystEngComm","2006","8","12","877","","10.1039/b612524g","","","0.71073","MoKα","","0.154","0.0626","","","0.1263","0.1554","","","","","","1.019","","","","has coordinates","202017","2020-10-21","18:00:00","" "7203646","6.5705","0.0011","7.6756","0.0014","12.6098","0.0018","85.165","0.013","76.785","0.013","73.868","0.016","594.58","0.18","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H14 Cl2 N2 -","- C12 H14 Cl2 N2 -","- C24 H28 Cl4 N4 -","2","1","","Łukasz Dobrzycki; Krzysztof Woźniak","On polymorphism and planarity of benzidine dihydrochloride","CrystEngComm","2006","8","11","780","","10.1039/b612605g","","","0.71073","MoKα","","0.0243","0.0218","","","0.0708","0.0734","","","","","","1.115","","","","has coordinates","202017","2020-10-21","18:00:00","" "7203647","6.6652","0.001","7.7196","0.0012","12.572","0.002","84.567","0.014","76.328","0.014","74.007","0.014","603.9","0.17","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H14 Cl2 N2 -","- C12 H14 Cl2 N2 -","- C24 H28 Cl4 N4 -","2","1","","Łukasz Dobrzycki; Krzysztof Woźniak","On polymorphism and planarity of benzidine dihydrochloride","CrystEngComm","2006","8","11","780","","10.1039/b612605g","","","0.71073","MoKα","","0.0409","0.0278","","","0.0857","0.094","","","","","","1.007","","","","has coordinates","202017","2020-10-21","18:00:00","" "7203648","4.3029","0.0009","5.7033","0.0009","12.6098","0.0018","100.859","0.013","95.703","0.013","99.229","0.011","297.29","0.09","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H14 Cl2 N2 -","- C12 H14 Cl2 N2 -","- C12 H14 Cl2 N2 -","1","0.5","","Łukasz Dobrzycki; Krzysztof Woźniak","On polymorphism and planarity of benzidine dihydrochloride","CrystEngComm","2006","8","11","780","","10.1039/b612605g","","","0.71073","MoKα","","0.0328","0.0322","","","0.0906","0.0912","","","","","","1.068","","","","has coordinates","180367","2020-10-21","18:00:00","" "7203649","4.3493","0.0008","5.7526","0.0008","12.572","0.002","101.564","0.014","95.572","0.014","98.717","0.01","301.95","0.09","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H14 Cl2 N2 -","- C12 H14 Cl2 N2 -","- C12 H14 Cl2 N2 -","1","0.5","","Łukasz Dobrzycki; Krzysztof Woźniak","On polymorphism and planarity of benzidine dihydrochloride","CrystEngComm","2006","8","11","780","","10.1039/b612605g","","","0.71073","MoKα","","0.0339","0.0298","","","0.0875","0.0911","","","","","","1.149","","","","has coordinates","180367","2020-10-21","18:00:00","" "7203650","27.4793","0.0011","6.028","0.0003","7.319","0.0003","90","","90","","90","","1212.36","0.09","120","2","120","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C12 H14 Cl2 N2 -","- C12 H14 Cl2 N2 -","- C48 H56 Cl8 N8 -","4","0.5","","Łukasz Dobrzycki; Krzysztof Woźniak","On polymorphism and planarity of benzidine dihydrochloride","CrystEngComm","2006","8","11","780","","10.1039/b612605g","","","0.71073","MoKα","","0.0294","0.0249","","","0.0785","0.0807","","","","","","1.059","","","","has coordinates","180367","2020-10-21","18:00:00","" "7203651","27.459","0.003","6.0877","0.0008","7.3074","0.001","90","","90","","90","","1221.5","0.3","293","2","293","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C12 H14 Cl2 N2 -","- C12 H14 Cl2 N2 -","- C48 H56 Cl8 N8 -","4","0.5","","Łukasz Dobrzycki; Krzysztof Woźniak","On polymorphism and planarity of benzidine dihydrochloride","CrystEngComm","2006","8","11","780","","10.1039/b612605g","","","0.71073","MoKα","","0.0571","0.0397","","","0.1313","0.1465","","","","","","1.101","","","","has coordinates","180367","2020-10-21","18:00:00","" "7203652","8.884","0.003","40.601","0.011","10.98","0.003","90","","96.18","0.004","90","","3937","2","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H15 N3 O3 S -","- C12 H15 N3 O3 S -","- C144 H180 N36 O36 S12 -","12","3","","Burke, Nichola J.; Burrows, Andrew D.; Mahon, Mary F.; Warren, John E.","Structural manipulation through control of hydrogen bonding faces: the effects of cation substitution on the guanidinium sulfonate structure","CrystEngComm","2006","8","12","931","","10.1039/b612883a","","","0.6778","Synchrotron","","0.1088","0.0903","","","0.2096","0.2245","","","","","","1.002","","","","has coordinates","180367","2020-10-21","18:00:00","" "7203653","7.385","0.0002","15.931","0.0005","25.394","0.0011","90","","90","","90","","2987.62","0.18","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C13 H19 N3 O4 S -","- C13 H19 N3 O4 S -","- C104 H152 N24 O32 S8 -","8","1","","Burke, Nichola J.; Burrows, Andrew D.; Mahon, Mary F.; Warren, John E.","Structural manipulation through control of hydrogen bonding faces: the effects of cation substitution on the guanidinium sulfonate structure","CrystEngComm","2006","8","12","931","","10.1039/b612883a","","","0.71073","MoKα","","0.1248","0.0559","","","0.1062","0.1283","","","","","","1.025","","","","has coordinates","202017","2020-10-21","18:00:00","" "7203654","11.094","0.0002","10.685","0.0002","12.71","0.0003","90","","102.954","0.001","90","","1468.29","0.05","150","2","150","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C13 H19 N3 O4 S -","- C13 H19 N3 O4 S -","- C52 H76 N12 O16 S4 -","4","1","","Burke, Nichola J.; Burrows, Andrew D.; Mahon, Mary F.; Warren, John E.","Structural manipulation through control of hydrogen bonding faces: the effects of cation substitution on the guanidinium sulfonate structure","CrystEngComm","2006","8","12","931","","10.1039/b612883a","","","0.71073","MoKα","","0.0573","0.0382","","","0.0885","0.0973","","","","","","1.042","","","","has coordinates","202017","2020-10-21","18:00:00","" "7203655","8.742","0.0002","28.396","0.0005","10.877","0.0002","90","","92.953","0.001","90","","2696.5","0.09","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H15 N3 O3 S -","- C12 H15 N3 O3 S -","- C96 H120 N24 O24 S8 -","8","2","","Burke, Nichola J.; Burrows, Andrew D.; Mahon, Mary F.; Warren, John E.","Structural manipulation through control of hydrogen bonding faces: the effects of cation substitution on the guanidinium sulfonate structure","CrystEngComm","2006","8","12","931","","10.1039/b612883a","","","0.71073","MoKα","","0.0925","0.0529","","","0.1098","0.1255","","","","","","1.051","","","","has coordinates","180367","2020-10-21","18:00:00","" "7203656","13.581","0.004","30.358","0.011","8.693","0.003","90","","125.803","0.019","90","","2906.8","1.8","150","2","150","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C13 H17 N3 O3 S -","- C13 H17 N3 O3 S -","- C104 H136 N24 O24 S8 -","8","2","","Burke, Nichola J.; Burrows, Andrew D.; Mahon, Mary F.; Warren, John E.","Structural manipulation through control of hydrogen bonding faces: the effects of cation substitution on the guanidinium sulfonate structure","CrystEngComm","2006","8","12","931","","10.1039/b612883a","","","0.6894","Synchrotron","","0.0547","0.0447","","","0.1126","0.1178","","","","","","0.99","","","","has coordinates","180367","2020-10-21","18:00:00","" "7203657","54.44","0.03","10.652","0.004","10.105","0.003","90","","90","","90","","5860","4","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C13 H17 N3 O3 S -","- C13 H17 N3 O3 S -","- C208 H272 N48 O48 S16 -","16","2","","Burke, Nichola J.; Burrows, Andrew D.; Mahon, Mary F.; Warren, John E.","Structural manipulation through control of hydrogen bonding faces: the effects of cation substitution on the guanidinium sulfonate structure","CrystEngComm","2006","8","12","931","","10.1039/b612883a","","","0.6894","Synchrotron","","0.099","0.0628","","","0.1528","0.1685","","","","","","1.024","","","","has coordinates","180367","2020-10-21","18:00:00","" "7203658","13.045","0.0002","13.718","0.0002","17.847","0.0003","90","","90","","90","","3193.74","0.09","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H23 N3 O4 S -","- C12 H23 N3 O4 S -","- C96 H184 N24 O32 S8 -","8","2","","Burke, Nichola J.; Burrows, Andrew D.; Mahon, Mary F.; Warren, John E.","Structural manipulation through control of hydrogen bonding faces: the effects of cation substitution on the guanidinium sulfonate structure","CrystEngComm","2006","8","12","931","","10.1039/b612883a","","","0.71073","MoKα","","0.0963","0.0785","","","0.2162","0.2357","","","","","","1.074","","","","has coordinates","180367","2020-10-21","18:00:00","" "7203659","6.894","0.0001","17.476","0.0004","14.21","0.0003","90","","103.18","0.001","90","","1666.92","0.06","240","2","240","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C13 H25 N3 O4 S -","- C13 H25 N3 O4 S -","- C52 H100 N12 O16 S4 -","4","2","","Burke, Nichola J.; Burrows, Andrew D.; Mahon, Mary F.; Warren, John E.","Structural manipulation through control of hydrogen bonding faces: the effects of cation substitution on the guanidinium sulfonate structure","CrystEngComm","2006","8","12","931","","10.1039/b612883a","","","0.71073","MoKα","","0.0705","0.0466","","","0.1206","0.1313","","","","","","1.025","","","","has coordinates","180367","2020-10-21","18:00:00","" "7203660","10.8207","0.0016","13.254","0.002","11.8837","0.0018","90","","103.423","0.002","90","","1657.8","0.4","240","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C13 H25 N3 O4 S -","- C13 H25 N3 O4 S -","- C52 H100 N12 O16 S4 -","4","2","","Burke, Nichola J.; Burrows, Andrew D.; Mahon, Mary F.; Warren, John E.","Structural manipulation through control of hydrogen bonding faces: the effects of cation substitution on the guanidinium sulfonate structure","CrystEngComm","2006","8","12","931","","10.1039/b612883a","","","0.6778","Synchrotron","","0.0946","0.0888","","","0.2392","0.2469","","","","","","1.006","","","","has coordinates","180367","2020-10-21","18:00:00","" "7203661","6.4309","0.0005","7.9829","0.0006","16.214","0.0012","90","","92.057","0.002","90","","831.85","0.11","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C4 H13 N3 O3 S -","- C4 H13 N3 O3 S -","- C16 H52 N12 O12 S4 -","4","1","","Burke, Nichola J.; Burrows, Andrew D.; Mahon, Mary F.; Warren, John E.","Structural manipulation through control of hydrogen bonding faces: the effects of cation substitution on the guanidinium sulfonate structure","CrystEngComm","2006","8","12","931","","10.1039/b612883a","","","0.6867","Synchrotron","","0.0481","0.044","","","0.1194","0.123","","","","","","1.091","","","","has coordinates","202017","2020-10-21","18:00:00","" "7203662","10.6084","0.0004","11.3449","0.0005","10.0582","0.0004","90","","90","","90","","1210.52","0.09","150","2","150","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C9 H15 N3 O3 S -","- C9 H15 N3 O3 S -","- C36 H60 N12 O12 S4 -","4","1","","Burke, Nichola J.; Burrows, Andrew D.; Mahon, Mary F.; Warren, John E.","Structural manipulation through control of hydrogen bonding faces: the effects of cation substitution on the guanidinium sulfonate structure","CrystEngComm","2006","8","12","931","","10.1039/b612883a","","","0.6867","Synchrotron","","0.0395","0.0381","","","0.0986","0.0995","","","","","","1.077","","","","has coordinates","202017","2020-10-21","18:00:00","" "7203663","16.888","0.005","12.43","0.006","19.756","0.006","90","","96.98","0.02","90","","4116","3","294","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C37 H22 Br2 Cl10 N2 -","- C37 H22 Br2 Cl10 N2 -","- C148 H88 Br8 Cl40 N8 -","4","1","","Ashmore, Jason; Bishop, Roger; Craig, Donald C.; Scudder, Marcia L.","Inclusion of polyhalomethanes by a tetrahalogenated diquinoline host","CrystEngComm","2006","8","12","923","","10.1039/b613537d","","","0.71073","MoKα","","","0.071","","","","0.091","","","","","","1.93","","","","has coordinates","180367","2020-10-21","18:00:00","" "7203664","20.081","0.006","14.094","0.004","12.065","0.003","90","","90","","90","","3414.7","1.6","294","","","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C36 H23 Br5 Cl2 N2 -","- C36 H23 Br5 Cl2 N2 -","- C144 H92 Br20 Cl8 N8 -","4","1","","Ashmore, Jason; Bishop, Roger; Craig, Donald C.; Scudder, Marcia L.","Inclusion of polyhalomethanes by a tetrahalogenated diquinoline host","CrystEngComm","2006","8","12","923","","10.1039/b613537d","","","0.71073","MoKα","","","0.064","","","","0.065","","","","","","1.72","","","","has coordinates","180367","2020-10-21","18:00:00","" "7203665","18.522","0.006","8.282","0.001","19.622","0.006","90","","100.02","0.01","90","","2964.1","1.4","294","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C35 H22 Br2 Cl2 N2 -","- C35 H24 Br2 Cl2 N2 -","- C140 H96 Br8 Cl8 N8 -","4","0.5","","Ashmore, Jason; Bishop, Roger; Craig, Donald C.; Scudder, Marcia L.","Inclusion of polyhalomethanes by a tetrahalogenated diquinoline host","CrystEngComm","2006","8","12","923","","10.1039/b613537d","","","0.71073","MoKα","","","0.046","","","","0.056","","","","","","1.65","","","","has coordinates","180367","2020-10-21","18:00:00","" "7203666","10.383","0.003","9.893","0.001","13.212","0.003","90","","98.41","0.01","90","","1342.5","0.5","294","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C35 H24 Cl2 N2 -","- C35 H24 Cl2 N2 -","- C70 H48 Cl4 N4 -","2","1","","Ashmore, Jason; Bishop, Roger; Craig, Donald C.; Scudder, Marcia L.","Inclusion of polyhalomethanes by a tetrahalogenated diquinoline host","CrystEngComm","2006","8","12","923","","10.1039/b613537d","","","0.71073","MoKα","","","0.042","","","","0.051","","","","","","1.58","","","","has coordinates","180367","2020-10-21","18:00:00","" "7203667","5.7952","0.001","8.3871","0.0014","8.7671","0.0014","72.308","0.003","76.989","0.003","86.488","0.004","395.54","0.11","223","2","223","2","","","","","","","","3","P -1","-P 1","2","","","","- C18 H20 N4 -","- C18 H20 N4 -","- C18 H20 N4 -","1","0.5","","Lai, Chian Sing; Mohr, Fabian; Tiekink, Edward R. T.","The importance of C–H⋯N, C–H⋯π and π⋯π interactions in the crystal packing of the isomeric N^1^,N^4^-bis((pyridine-n-yl)methylene)-cyclohexane-1,4-diamines, n = 2, 3 and 4","CrystEngComm","2006","8","12","909","915","10.1039/b613603f","","","0.71069","MoKα","","0.072","0.056","","","0.161","0.172","","","","","","1.02","","","","has coordinates","275108","2022-05-06","15:12:09","" "7203668","6.0705","0.0012","5.6162","0.0011","23.339","0.005","90","","93.573","0.004","90","","794.2","0.3","223","2","223","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C18 H20 N4 -","- C18 H20 N4 -","- C36 H40 N8 -","2","0.5","","Lai, Chian Sing; Mohr, Fabian; Tiekink, Edward R. T.","The importance of C–H⋯N, C–H⋯π and π⋯π interactions in the crystal packing of the isomeric N^1^,N^4^-bis((pyridine-n-yl)methylene)-cyclohexane-1,4-diamines, n = 2, 3 and 4","CrystEngComm","2006","8","12","909","915","10.1039/b613603f","","","0.71069","MoKα","","0.096","0.067","","","0.165","0.178","","","","","","1.15","","","","has coordinates","275108","2022-05-06","15:12:20","" "7203669","11.7026","0.0013","5.5972","0.0006","12.3769","0.0014","90","","94.702","0.003","90","","807.98","0.15","223","2","223","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H20 N4 -","- C18 H20 N4 -","- C36 H40 N8 -","2","0.5","","Lai, Chian Sing; Mohr, Fabian; Tiekink, Edward R. T.","The importance of C–H⋯N, C–H⋯π and π⋯π interactions in the crystal packing of the isomeric N^1^,N^4^-bis((pyridine-n-yl)methylene)-cyclohexane-1,4-diamines, n = 2, 3 and 4","CrystEngComm","2006","8","12","909","915","10.1039/b613603f","","","0.71069","MoKα","","0.095","0.058","","","0.154","0.19","","","","","","1.04","","","","has coordinates","275108","2022-05-06","15:12:22","" "7203670","10.882","0.004","14.319","0.005","14.827","0.005","62.896","0.005","89.982","0.006","69.685","0.005","1893.9","1.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C33 H21 Hg2 I4 N6 O6 -","- C33 H21 Hg2 I4 N6 O6 -","- C66 H42 Hg4 I8 N12 O12 -","2","1","","Xing-Qiang Lü; Mei Pan; Jian-Rong He; Yue-Peng Cai; Bei-Sheng Kang; Cheng-Yong Su","Three-fold parallel interlocking of 2-D brick-wall networks showing ladder-like unsymmetrical Borromean links","CrystEngComm","2006","8","11","827","","10.1039/b613667m","","","0.71073","MoKα","","0.06","0.0423","","","0.102","0.1107","","","","","","1.025","","","","has coordinates","180367","2020-10-21","18:00:00","" "7203671","7.6003","0.0008","16.7695","0.0017","9.7696","0.001","90","","101.522","0.002","90","","1220.1","0.2","300","2","300","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H10 N2 Ni O4 -","- C12 H10 N2 Ni O4 -","- C48 H40 N8 Ni4 O16 -","4","1","","Hogben, Timothy; Douthwaite, Richard E.; Gillie, Lisa J.; Whitwood, Adrian C.","Synthesis of a neutral metal?organic network solid [(MeIm)Ni(BDC)] (where MeIm = methylimidazole and BDC = 1,4-benzenedicarboxylate) in an ionic liquid solvent 1-methyl-3-propylimidazolium bromide","CrystEngComm","2006","8","12","866","","10.1039/b614104h","","","0.71073","MoKα","","0.0495","0.0376","","","0.0801","0.084","","","","","","1.071","","","","has coordinates","180367","2020-10-21","18:00:00","" "7203672","10.8755","0.0005","19.129","0.002","19.3765","0.0018","90","","98.745","0.005","90","","3984.2","0.6","208","2","208","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H40 Eu2 N12 O18 W -","- C22 H36 Eu2 N12 O17 W -","- C88 H144 Eu8 N48 O68 W4 -","4","1","","Stefania Tanase; Ferry Prins; Jan M. M. Smits; René de Gelder","Three-dimensional LnIII‒WIV complexes with cyanido and carboxylato bridges","CrystEngComm","2006","8","12","863","","10.1039/b614215j","","","0.71073","MoKα","","0.0246","0.0203","","0.045","0.0435","0.045","","","1.104","","","1.104","","","","has coordinates","180367","2020-10-21","18:00:00","" "7203673","10.9221","0.0005","19.266","0.002","19.4537","0.0009","90","","98.385","0.005","90","","4049.8","0.5","208","2","208","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H44 N12 Nd2 O17 W -","- C25 H42 N12 Nd2 O17 W -","- C100 H168 N48 Nd8 O68 W4 -","4","1","","Stefania Tanase; Ferry Prins; Jan M. M. Smits; René de Gelder","Three-dimensional LnIII‒WIV complexes with cyanido and carboxylato bridges","CrystEngComm","2006","8","12","863","","10.1039/b614215j","","","0.71073","MoKα","","0.0345","0.0254","","0.0585","0.0555","0.0585","","","1.131","","","1.131","","","","has coordinates,has disorder","180367","2020-10-21","18:00:00",""